USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 985 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 12 SER OG : rot -90:sc= -1.65 USER MOD Set 1.2: A 74 HIS : no HD1:sc= -3.79! C(o=-5.4!,f=-11!) USER MOD Set 2.1: A 10 TYR OH : rot 176:sc= -1.15 USER MOD Set 2.2: A 52 GLN : amide:sc= -5.71! K(o=-7.9!,f=-5.6) USER MOD Set 2.3: A 95 MET CE :methyl 162:sc= -0.999 (180deg=-0.0938) USER MOD Set 3.1: A 7 THR OG1 : rot -95:sc= 0.166 USER MOD Set 3.2: A 85 SER OG : rot 153:sc= 0.124 USER MOD Single : A 6 THR OG1 : rot -120:sc= -0.381 USER MOD Single : A 13 GLN : amide:sc= -3.81! K(o=-3.8!,f=-0.0081) USER MOD Single : A 15 HIS : no HD1:sc= -1.17 X(o=-1.2,f=-0.9) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.151 K(o=-0.15,f=-3.6!) USER MOD Single : A 40 THR OG1 : rot -77:sc= -1.28 USER MOD Single : A 46 ASN : amide:sc= -3.66! K(o=-3.7!,f=-0.47) USER MOD Single : A 49 GLN : amide:sc= -0.223 X(o=-0.22,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.048 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 80:sc= 1.13 USER MOD Single : A 69 GLN : amide:sc= -0.626 X(o=-0.63,f=-1) USER MOD Single : A 70 SER OG : rot -39:sc= 0.835 USER MOD Single : A 81 MET CE :methyl 180:sc= -4.7 (180deg=-4.7) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.0442 X(o=-0.044,f=-0.05) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 128 MET CE :methyl 171:sc= -0.392 (180deg=-0.556) USER MOD Single : A 133 SER OG : rot -80:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 5 16.999 -2.739 4.199 1.00 0.00 N ATOM 63 CA LEU A 5 15.643 -2.476 3.733 1.00 0.00 C ATOM 64 C LEU A 5 14.612 -2.934 4.746 1.00 0.00 C ATOM 65 O LEU A 5 14.924 -3.641 5.703 1.00 0.00 O ATOM 66 CB LEU A 5 15.401 -3.177 2.395 1.00 0.00 C ATOM 67 CG LEU A 5 14.761 -2.309 1.311 1.00 0.00 C ATOM 68 CD1 LEU A 5 15.693 -1.173 0.920 1.00 0.00 C ATOM 69 CD2 LEU A 5 14.406 -3.154 0.098 1.00 0.00 C ATOM 0 HA LEU A 5 15.538 -1.399 3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 5 16.354 -3.552 2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 5 14.763 -4.044 2.567 1.00 0.00 H new ATOM 0 HG LEU A 5 13.843 -1.876 1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 5 15.222 -0.565 0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.899 -0.554 1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 5 16.628 -1.584 0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 5 13.951 -2.522 -0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 5 15.310 -3.613 -0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 5 13.702 -3.933 0.391 1.00 0.00 H new ATOM 81 N THR A 6 13.382 -2.507 4.517 1.00 0.00 N ATOM 82 CA THR A 6 12.272 -2.835 5.390 1.00 0.00 C ATOM 83 C THR A 6 10.959 -2.699 4.633 1.00 0.00 C ATOM 84 O THR A 6 10.880 -1.966 3.651 1.00 0.00 O ATOM 85 CB THR A 6 12.244 -1.892 6.602 1.00 0.00 C ATOM 86 OG1 THR A 6 13.542 -1.833 7.210 1.00 0.00 O ATOM 87 CG2 THR A 6 11.217 -2.346 7.630 1.00 0.00 C ATOM 0 H THR A 6 13.126 -1.923 3.720 1.00 0.00 H new ATOM 0 HA THR A 6 12.400 -3.862 5.733 1.00 0.00 H new ATOM 0 HB THR A 6 11.961 -0.900 6.249 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.482 -2.138 8.139 1.00 0.00 H new ATOM 0 HG21 THR A 6 11.221 -1.659 8.476 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.227 -2.356 7.175 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.467 -3.349 7.976 1.00 0.00 H new ATOM 95 N THR A 7 9.930 -3.399 5.083 1.00 0.00 N ATOM 96 CA THR A 7 8.634 -3.314 4.432 1.00 0.00 C ATOM 97 C THR A 7 7.561 -2.870 5.404 1.00 0.00 C ATOM 98 O THR A 7 6.995 -3.682 6.133 1.00 0.00 O ATOM 99 CB THR A 7 8.195 -4.645 3.800 1.00 0.00 C ATOM 100 OG1 THR A 7 9.228 -5.149 2.947 1.00 0.00 O ATOM 101 CG2 THR A 7 6.909 -4.452 2.996 1.00 0.00 C ATOM 0 H THR A 7 9.966 -4.025 5.887 1.00 0.00 H new ATOM 0 HA THR A 7 8.753 -2.576 3.638 1.00 0.00 H new ATOM 0 HB THR A 7 8.008 -5.364 4.598 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.052 -4.874 2.023 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.610 -5.403 2.554 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.118 -4.093 3.655 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.081 -3.722 2.205 1.00 0.00 H new ATOM 109 N LEU A 8 7.297 -1.577 5.429 1.00 0.00 N ATOM 110 CA LEU A 8 6.266 -1.040 6.276 1.00 0.00 C ATOM 111 C LEU A 8 5.002 -0.931 5.460 1.00 0.00 C ATOM 112 O LEU A 8 5.038 -0.499 4.316 1.00 0.00 O ATOM 113 CB LEU A 8 6.648 0.326 6.799 1.00 0.00 C ATOM 114 CG LEU A 8 5.472 1.148 7.267 1.00 0.00 C ATOM 115 CD1 LEU A 8 5.685 1.643 8.681 1.00 0.00 C ATOM 116 CD2 LEU A 8 5.238 2.289 6.305 1.00 0.00 C ATOM 0 H LEU A 8 7.789 -0.882 4.867 1.00 0.00 H new ATOM 0 HA LEU A 8 6.122 -1.698 7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.348 0.206 7.626 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.172 0.872 6.015 1.00 0.00 H new ATOM 0 HG LEU A 8 4.580 0.521 7.282 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.823 2.232 8.994 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.804 0.791 9.351 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.581 2.262 8.719 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.389 2.882 6.644 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.127 2.919 6.264 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.030 1.891 5.312 1.00 0.00 H new ATOM 128 N ILE A 9 3.891 -1.312 6.037 1.00 0.00 N ATOM 129 CA ILE A 9 2.634 -1.252 5.331 1.00 0.00 C ATOM 130 C ILE A 9 1.580 -0.624 6.228 1.00 0.00 C ATOM 131 O ILE A 9 1.664 -0.734 7.443 1.00 0.00 O ATOM 132 CB ILE A 9 2.224 -2.663 4.863 1.00 0.00 C ATOM 133 CG1 ILE A 9 3.295 -3.220 3.916 1.00 0.00 C ATOM 134 CG2 ILE A 9 0.863 -2.642 4.189 1.00 0.00 C ATOM 135 CD1 ILE A 9 3.012 -4.620 3.422 1.00 0.00 C ATOM 0 H ILE A 9 3.830 -1.666 6.991 1.00 0.00 H new ATOM 0 HA ILE A 9 2.735 -0.629 4.442 1.00 0.00 H new ATOM 0 HB ILE A 9 2.146 -3.314 5.734 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.387 -2.555 3.057 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.257 -3.214 4.429 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.600 -3.650 3.869 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.114 -2.277 4.892 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.897 -1.983 3.321 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.815 -4.941 2.758 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.950 -5.300 4.272 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.067 -4.630 2.879 1.00 0.00 H new ATOM 147 N TYR A 10 0.621 0.076 5.641 1.00 0.00 N ATOM 148 CA TYR A 10 -0.421 0.721 6.424 1.00 0.00 C ATOM 149 C TYR A 10 -1.667 0.912 5.592 1.00 0.00 C ATOM 150 O TYR A 10 -1.622 0.834 4.370 1.00 0.00 O ATOM 151 CB TYR A 10 0.062 2.076 6.947 1.00 0.00 C ATOM 152 CG TYR A 10 0.656 2.957 5.874 1.00 0.00 C ATOM 153 CD1 TYR A 10 1.983 2.816 5.493 1.00 0.00 C ATOM 154 CD2 TYR A 10 -0.107 3.929 5.242 1.00 0.00 C ATOM 155 CE1 TYR A 10 2.534 3.617 4.514 1.00 0.00 C ATOM 156 CE2 TYR A 10 0.436 4.735 4.261 1.00 0.00 C ATOM 157 CZ TYR A 10 1.758 4.575 3.900 1.00 0.00 C ATOM 158 OH TYR A 10 2.306 5.374 2.922 1.00 0.00 O ATOM 0 H TYR A 10 0.543 0.211 4.633 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.656 0.077 7.271 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.775 2.597 7.412 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.807 1.912 7.725 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.595 2.066 5.971 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.142 4.057 5.522 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.569 3.493 4.231 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.171 5.487 3.779 1.00 0.00 H new ATOM 0 HH TYR A 10 1.611 5.953 2.545 1.00 0.00 H new ATOM 168 N ARG A 11 -2.779 1.162 6.253 1.00 0.00 N ATOM 169 CA ARG A 11 -4.032 1.373 5.550 1.00 0.00 C ATOM 170 C ARG A 11 -4.869 2.439 6.235 1.00 0.00 C ATOM 171 O ARG A 11 -5.013 2.450 7.458 1.00 0.00 O ATOM 172 CB ARG A 11 -4.811 0.062 5.429 1.00 0.00 C ATOM 173 CG ARG A 11 -5.450 -0.409 6.720 1.00 0.00 C ATOM 174 CD ARG A 11 -6.595 -1.372 6.463 1.00 0.00 C ATOM 175 NE ARG A 11 -6.875 -2.198 7.632 1.00 0.00 N ATOM 176 CZ ARG A 11 -7.132 -3.501 7.572 1.00 0.00 C ATOM 177 NH1 ARG A 11 -7.153 -4.124 6.400 1.00 0.00 N ATOM 178 NH2 ARG A 11 -7.366 -4.183 8.683 1.00 0.00 N ATOM 0 H ARG A 11 -2.843 1.224 7.269 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.800 1.726 4.545 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.590 0.185 4.676 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.137 -0.715 5.067 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.698 -0.896 7.341 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.817 0.452 7.279 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.489 -0.811 6.191 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.350 -2.012 5.615 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.874 -1.750 8.548 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.972 -3.603 5.542 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.350 -5.124 6.357 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.349 -3.709 9.586 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.563 -5.183 8.636 1.00 0.00 H new ATOM 192 N SER A 12 -5.410 3.340 5.432 1.00 0.00 N ATOM 193 CA SER A 12 -6.231 4.421 5.945 1.00 0.00 C ATOM 194 C SER A 12 -7.603 4.381 5.314 1.00 0.00 C ATOM 195 O SER A 12 -8.039 3.346 4.813 1.00 0.00 O ATOM 196 CB SER A 12 -5.588 5.764 5.625 1.00 0.00 C ATOM 197 OG SER A 12 -5.547 5.984 4.226 1.00 0.00 O ATOM 0 H SER A 12 -5.294 3.343 4.419 1.00 0.00 H new ATOM 0 HA SER A 12 -6.319 4.300 7.025 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.149 6.565 6.107 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.577 5.794 6.032 1.00 0.00 H new ATOM 0 HG SER A 12 -4.708 5.630 3.864 1.00 0.00 H new ATOM 203 N GLN A 13 -8.280 5.513 5.349 1.00 0.00 N ATOM 204 CA GLN A 13 -9.589 5.615 4.740 1.00 0.00 C ATOM 205 C GLN A 13 -9.610 6.743 3.725 1.00 0.00 C ATOM 206 O GLN A 13 -8.671 6.922 2.950 1.00 0.00 O ATOM 207 CB GLN A 13 -10.683 5.828 5.779 1.00 0.00 C ATOM 208 CG GLN A 13 -10.603 4.888 6.958 1.00 0.00 C ATOM 209 CD GLN A 13 -11.957 4.603 7.568 1.00 0.00 C ATOM 210 OE1 GLN A 13 -12.195 3.522 8.108 1.00 0.00 O ATOM 211 NE2 GLN A 13 -12.853 5.575 7.483 1.00 0.00 N ATOM 0 H GLN A 13 -7.946 6.370 5.791 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.790 4.670 4.235 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -10.630 6.854 6.142 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.654 5.709 5.298 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.147 3.950 6.640 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.950 5.318 7.717 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.610 6.454 7.026 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -13.786 5.444 7.874 1.00 0.00 H new ATOM 220 N VAL A 14 -10.693 7.489 3.739 1.00 0.00 N ATOM 221 CA VAL A 14 -10.878 8.602 2.824 1.00 0.00 C ATOM 222 C VAL A 14 -12.074 9.439 3.268 1.00 0.00 C ATOM 223 O VAL A 14 -12.660 9.175 4.314 1.00 0.00 O ATOM 224 CB VAL A 14 -11.113 8.079 1.395 1.00 0.00 C ATOM 225 CG1 VAL A 14 -12.542 7.589 1.258 1.00 0.00 C ATOM 226 CG2 VAL A 14 -10.784 9.137 0.349 1.00 0.00 C ATOM 0 H VAL A 14 -11.471 7.344 4.383 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.980 9.220 2.832 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.438 7.242 1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.705 7.220 0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.721 6.784 1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.229 8.411 1.459 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.962 8.732 -0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.417 10.011 0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.737 9.427 0.441 1.00 0.00 H new ATOM 236 N HIS A 15 -12.434 10.436 2.475 1.00 0.00 N ATOM 237 CA HIS A 15 -13.568 11.289 2.799 1.00 0.00 C ATOM 238 C HIS A 15 -14.828 10.813 2.082 1.00 0.00 C ATOM 239 O HIS A 15 -15.053 11.166 0.923 1.00 0.00 O ATOM 240 CB HIS A 15 -13.276 12.732 2.409 1.00 0.00 C ATOM 241 CG HIS A 15 -12.863 13.595 3.560 1.00 0.00 C ATOM 242 ND1 HIS A 15 -13.755 14.341 4.301 1.00 0.00 N ATOM 243 CD2 HIS A 15 -11.643 13.834 4.091 1.00 0.00 C ATOM 244 CE1 HIS A 15 -13.101 15.003 5.239 1.00 0.00 C ATOM 245 NE2 HIS A 15 -11.818 14.711 5.133 1.00 0.00 N ATOM 0 H HIS A 15 -11.959 10.675 1.604 1.00 0.00 H new ATOM 0 HA HIS A 15 -13.733 11.233 3.875 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -12.487 12.743 1.657 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -14.165 13.161 1.946 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -10.706 13.414 3.758 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -13.541 15.669 5.967 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -11.076 15.078 5.729 1.00 0.00 H new ATOM 254 N PRO A 16 -15.669 10.003 2.752 1.00 0.00 N ATOM 255 CA PRO A 16 -16.908 9.488 2.161 1.00 0.00 C ATOM 256 C PRO A 16 -17.817 10.599 1.664 1.00 0.00 C ATOM 257 O PRO A 16 -18.689 10.382 0.822 1.00 0.00 O ATOM 258 CB PRO A 16 -17.573 8.731 3.310 1.00 0.00 C ATOM 259 CG PRO A 16 -16.904 9.236 4.542 1.00 0.00 C ATOM 260 CD PRO A 16 -15.493 9.518 4.130 1.00 0.00 C ATOM 0 HA PRO A 16 -16.709 8.868 1.287 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.646 8.919 3.338 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -17.441 7.654 3.202 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -17.393 10.136 4.916 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -16.941 8.497 5.342 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.023 10.266 4.769 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -14.869 8.625 4.172 1.00 0.00 H new ATOM 268 N ASP A 17 -17.602 11.785 2.198 1.00 0.00 N ATOM 269 CA ASP A 17 -18.390 12.954 1.823 1.00 0.00 C ATOM 270 C ASP A 17 -17.820 13.609 0.569 1.00 0.00 C ATOM 271 O ASP A 17 -18.547 13.885 -0.386 1.00 0.00 O ATOM 272 CB ASP A 17 -18.421 13.961 2.974 1.00 0.00 C ATOM 273 CG ASP A 17 -19.318 15.148 2.681 1.00 0.00 C ATOM 274 OD1 ASP A 17 -18.823 16.139 2.103 1.00 0.00 O ATOM 275 OD2 ASP A 17 -20.516 15.088 3.029 1.00 0.00 O ATOM 0 H ASP A 17 -16.884 11.970 2.898 1.00 0.00 H new ATOM 0 HA ASP A 17 -19.408 12.628 1.610 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.767 13.463 3.880 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.409 14.314 3.171 1.00 0.00 H new ATOM 280 N ARG A 18 -16.514 13.859 0.583 1.00 0.00 N ATOM 281 CA ARG A 18 -15.831 14.476 -0.545 1.00 0.00 C ATOM 282 C ARG A 18 -15.895 13.586 -1.788 1.00 0.00 C ATOM 283 O ARG A 18 -16.308 12.429 -1.704 1.00 0.00 O ATOM 284 CB ARG A 18 -14.382 14.745 -0.159 1.00 0.00 C ATOM 285 CG ARG A 18 -14.247 15.614 1.054 1.00 0.00 C ATOM 286 CD ARG A 18 -12.851 16.171 1.139 1.00 0.00 C ATOM 287 NE ARG A 18 -11.835 15.154 0.881 1.00 0.00 N ATOM 288 CZ ARG A 18 -10.570 15.433 0.580 1.00 0.00 C ATOM 289 NH1 ARG A 18 -10.167 16.694 0.504 1.00 0.00 N ATOM 290 NH2 ARG A 18 -9.709 14.451 0.356 1.00 0.00 N ATOM 0 H ARG A 18 -15.905 13.641 1.371 1.00 0.00 H new ATOM 0 HA ARG A 18 -16.329 15.414 -0.789 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.879 13.795 0.024 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.871 15.220 -0.997 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.970 16.429 1.009 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.472 15.037 1.951 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.741 16.983 0.420 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -12.692 16.598 2.129 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.111 14.174 0.935 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.828 17.452 0.677 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.196 16.906 0.273 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.016 13.480 0.414 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.739 14.666 0.125 1.00 0.00 H new ATOM 304 N PRO A 19 -15.486 14.112 -2.963 1.00 0.00 N ATOM 305 CA PRO A 19 -15.502 13.352 -4.210 1.00 0.00 C ATOM 306 C PRO A 19 -14.328 12.372 -4.298 1.00 0.00 C ATOM 307 O PRO A 19 -13.490 12.326 -3.397 1.00 0.00 O ATOM 308 CB PRO A 19 -15.406 14.426 -5.306 1.00 0.00 C ATOM 309 CG PRO A 19 -15.320 15.749 -4.606 1.00 0.00 C ATOM 310 CD PRO A 19 -14.968 15.470 -3.173 1.00 0.00 C ATOM 0 HA PRO A 19 -16.396 12.735 -4.299 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.529 14.262 -5.933 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -16.277 14.390 -5.960 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.565 16.382 -5.072 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.268 16.282 -4.673 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.892 15.522 -3.004 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.432 16.188 -2.497 1.00 0.00 H new ATOM 318 N PRO A 20 -14.254 11.573 -5.380 1.00 0.00 N ATOM 319 CA PRO A 20 -13.181 10.586 -5.564 1.00 0.00 C ATOM 320 C PRO A 20 -11.787 11.193 -5.441 1.00 0.00 C ATOM 321 O PRO A 20 -11.613 12.410 -5.530 1.00 0.00 O ATOM 322 CB PRO A 20 -13.412 10.063 -6.982 1.00 0.00 C ATOM 323 CG PRO A 20 -14.857 10.308 -7.247 1.00 0.00 C ATOM 324 CD PRO A 20 -15.199 11.572 -6.511 1.00 0.00 C ATOM 0 HA PRO A 20 -13.216 9.812 -4.797 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.783 10.585 -7.703 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.170 9.003 -7.057 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.046 10.414 -8.315 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -15.466 9.474 -6.897 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -15.072 12.452 -7.142 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -16.234 11.571 -6.170 1.00 0.00 H new ATOM 332 N VAL A 21 -10.799 10.329 -5.231 1.00 0.00 N ATOM 333 CA VAL A 21 -9.413 10.753 -5.090 1.00 0.00 C ATOM 334 C VAL A 21 -8.711 10.824 -6.436 1.00 0.00 C ATOM 335 O VAL A 21 -9.088 10.133 -7.384 1.00 0.00 O ATOM 336 CB VAL A 21 -8.629 9.781 -4.198 1.00 0.00 C ATOM 337 CG1 VAL A 21 -7.181 10.204 -4.100 1.00 0.00 C ATOM 338 CG2 VAL A 21 -9.239 9.685 -2.816 1.00 0.00 C ATOM 0 H VAL A 21 -10.936 9.321 -5.154 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.437 11.744 -4.637 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.680 8.794 -4.658 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.640 9.504 -3.464 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.735 10.209 -5.095 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.122 11.204 -3.671 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.660 8.988 -2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.231 10.668 -2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.266 9.329 -2.896 1.00 0.00 H new ATOM 348 N ASP A 22 -7.690 11.670 -6.513 1.00 0.00 N ATOM 349 CA ASP A 22 -6.906 11.804 -7.726 1.00 0.00 C ATOM 350 C ASP A 22 -5.844 10.724 -7.756 1.00 0.00 C ATOM 351 O ASP A 22 -4.658 11.006 -7.824 1.00 0.00 O ATOM 352 CB ASP A 22 -6.270 13.192 -7.811 1.00 0.00 C ATOM 353 CG ASP A 22 -7.303 14.295 -7.927 1.00 0.00 C ATOM 354 OD1 ASP A 22 -7.765 14.789 -6.877 1.00 0.00 O ATOM 355 OD2 ASP A 22 -7.653 14.663 -9.069 1.00 0.00 O ATOM 0 H ASP A 22 -7.389 12.272 -5.747 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.560 11.688 -8.590 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.658 13.363 -6.925 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.603 13.231 -8.672 1.00 0.00 H new ATOM 360 N LEU A 23 -6.310 9.485 -7.696 1.00 0.00 N ATOM 361 CA LEU A 23 -5.469 8.292 -7.699 1.00 0.00 C ATOM 362 C LEU A 23 -4.461 8.252 -8.840 1.00 0.00 C ATOM 363 O LEU A 23 -3.773 7.257 -9.021 1.00 0.00 O ATOM 364 CB LEU A 23 -6.381 7.089 -7.773 1.00 0.00 C ATOM 365 CG LEU A 23 -7.544 7.148 -6.790 1.00 0.00 C ATOM 366 CD1 LEU A 23 -8.565 6.069 -7.095 1.00 0.00 C ATOM 367 CD2 LEU A 23 -7.030 6.993 -5.369 1.00 0.00 C ATOM 0 H LEU A 23 -7.307 9.274 -7.643 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.875 8.298 -6.785 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.775 7.003 -8.786 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.798 6.188 -7.581 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.031 8.118 -6.892 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.385 6.132 -6.380 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.952 6.209 -8.104 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.093 5.090 -7.020 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.867 7.036 -4.672 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.523 6.033 -5.268 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.330 7.798 -5.145 1.00 0.00 H new ATOM 379 N ASP A 24 -4.418 9.294 -9.641 1.00 0.00 N ATOM 380 CA ASP A 24 -3.452 9.383 -10.720 1.00 0.00 C ATOM 381 C ASP A 24 -2.347 10.319 -10.289 1.00 0.00 C ATOM 382 O ASP A 24 -1.158 10.065 -10.478 1.00 0.00 O ATOM 383 CB ASP A 24 -4.122 9.908 -11.977 1.00 0.00 C ATOM 384 CG ASP A 24 -3.413 9.472 -13.244 1.00 0.00 C ATOM 385 OD1 ASP A 24 -2.453 10.157 -13.653 1.00 0.00 O ATOM 386 OD2 ASP A 24 -3.818 8.445 -13.827 1.00 0.00 O ATOM 0 H ASP A 24 -5.043 10.097 -9.567 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.042 8.397 -10.939 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.155 9.560 -12.006 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.153 10.997 -11.939 1.00 0.00 H new ATOM 391 N ALA A 25 -2.793 11.411 -9.703 1.00 0.00 N ATOM 392 CA ALA A 25 -1.920 12.453 -9.188 1.00 0.00 C ATOM 393 C ALA A 25 -1.447 12.120 -7.772 1.00 0.00 C ATOM 394 O ALA A 25 -0.381 12.558 -7.333 1.00 0.00 O ATOM 395 CB ALA A 25 -2.668 13.776 -9.193 1.00 0.00 C ATOM 0 H ALA A 25 -3.785 11.605 -9.568 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.040 12.525 -9.826 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.019 14.562 -8.808 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.969 14.020 -10.212 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.554 13.696 -8.563 1.00 0.00 H new ATOM 401 N LEU A 26 -2.254 11.324 -7.081 1.00 0.00 N ATOM 402 CA LEU A 26 -1.989 10.921 -5.709 1.00 0.00 C ATOM 403 C LEU A 26 -0.791 9.989 -5.641 1.00 0.00 C ATOM 404 O LEU A 26 0.040 10.082 -4.736 1.00 0.00 O ATOM 405 CB LEU A 26 -3.253 10.248 -5.146 1.00 0.00 C ATOM 406 CG LEU A 26 -3.045 9.131 -4.117 1.00 0.00 C ATOM 407 CD1 LEU A 26 -4.297 8.955 -3.279 1.00 0.00 C ATOM 408 CD2 LEU A 26 -2.708 7.818 -4.802 1.00 0.00 C ATOM 0 H LEU A 26 -3.118 10.938 -7.462 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.746 11.796 -5.106 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.873 11.019 -4.689 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.820 9.838 -5.982 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.212 9.415 -3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.139 8.159 -2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.519 9.886 -2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.134 8.694 -3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.565 7.042 -4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.524 7.534 -5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.792 7.935 -5.382 1.00 0.00 H new ATOM 420 N VAL A 27 -0.717 9.089 -6.606 1.00 0.00 N ATOM 421 CA VAL A 27 0.367 8.123 -6.675 1.00 0.00 C ATOM 422 C VAL A 27 1.582 8.710 -7.387 1.00 0.00 C ATOM 423 O VAL A 27 2.722 8.392 -7.051 1.00 0.00 O ATOM 424 CB VAL A 27 -0.090 6.834 -7.394 1.00 0.00 C ATOM 425 CG1 VAL A 27 -1.133 7.160 -8.446 1.00 0.00 C ATOM 426 CG2 VAL A 27 1.088 6.099 -8.016 1.00 0.00 C ATOM 0 H VAL A 27 -1.401 9.007 -7.359 1.00 0.00 H new ATOM 0 HA VAL A 27 0.650 7.874 -5.652 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.536 6.173 -6.651 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.446 6.243 -8.945 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.996 7.627 -7.971 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.708 7.845 -9.180 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.732 5.197 -8.514 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.577 6.746 -8.744 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.800 5.827 -7.237 1.00 0.00 H new ATOM 436 N HIS A 28 1.327 9.567 -8.368 1.00 0.00 N ATOM 437 CA HIS A 28 2.397 10.194 -9.136 1.00 0.00 C ATOM 438 C HIS A 28 3.379 10.913 -8.220 1.00 0.00 C ATOM 439 O HIS A 28 4.574 10.619 -8.222 1.00 0.00 O ATOM 440 CB HIS A 28 1.815 11.184 -10.143 1.00 0.00 C ATOM 441 CG HIS A 28 2.778 11.579 -11.219 1.00 0.00 C ATOM 442 ND1 HIS A 28 3.519 12.743 -11.176 1.00 0.00 N ATOM 443 CD2 HIS A 28 3.125 10.957 -12.371 1.00 0.00 C ATOM 444 CE1 HIS A 28 4.277 12.819 -12.256 1.00 0.00 C ATOM 445 NE2 HIS A 28 4.058 11.748 -12.995 1.00 0.00 N ATOM 0 H HIS A 28 0.387 9.844 -8.651 1.00 0.00 H new ATOM 0 HA HIS A 28 2.932 9.408 -9.669 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.930 10.744 -10.603 1.00 0.00 H new ATOM 0 HB3 HIS A 28 1.488 12.079 -9.613 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.740 10.015 -12.732 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.960 13.621 -12.493 1.00 0.00 H new ATOM 0 HE2 HIS A 28 4.509 11.541 -13.886 1.00 0.00 H new ATOM 454 N ARG A 29 2.866 11.857 -7.439 1.00 0.00 N ATOM 455 CA ARG A 29 3.703 12.625 -6.522 1.00 0.00 C ATOM 456 C ARG A 29 4.364 11.729 -5.480 1.00 0.00 C ATOM 457 O ARG A 29 5.392 12.088 -4.907 1.00 0.00 O ATOM 458 CB ARG A 29 2.881 13.719 -5.833 1.00 0.00 C ATOM 459 CG ARG A 29 2.806 15.015 -6.626 1.00 0.00 C ATOM 460 CD ARG A 29 2.173 14.807 -7.995 1.00 0.00 C ATOM 461 NE ARG A 29 2.174 16.031 -8.790 1.00 0.00 N ATOM 462 CZ ARG A 29 1.758 16.092 -10.052 1.00 0.00 C ATOM 463 NH1 ARG A 29 1.315 15.001 -10.663 1.00 0.00 N ATOM 464 NH2 ARG A 29 1.789 17.246 -10.706 1.00 0.00 N ATOM 0 H ARG A 29 1.878 12.109 -7.422 1.00 0.00 H new ATOM 0 HA ARG A 29 4.493 13.091 -7.111 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.870 13.349 -5.662 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.315 13.926 -4.855 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.227 15.750 -6.066 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.809 15.424 -6.748 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.715 14.027 -8.530 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.148 14.456 -7.871 1.00 0.00 H new ATOM 0 HE ARG A 29 2.513 16.888 -8.353 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.292 14.111 -10.165 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.997 15.052 -11.631 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.132 18.087 -10.241 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.470 17.293 -11.674 1.00 0.00 H new ATOM 478 N ALA A 30 3.775 10.565 -5.240 1.00 0.00 N ATOM 479 CA ALA A 30 4.320 9.627 -4.268 1.00 0.00 C ATOM 480 C ALA A 30 5.537 8.906 -4.825 1.00 0.00 C ATOM 481 O ALA A 30 6.646 9.054 -4.316 1.00 0.00 O ATOM 482 CB ALA A 30 3.267 8.614 -3.863 1.00 0.00 C ATOM 0 H ALA A 30 2.923 10.249 -5.703 1.00 0.00 H new ATOM 0 HA ALA A 30 4.627 10.197 -3.391 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.690 7.920 -3.136 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.417 9.131 -3.419 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.936 8.061 -4.742 1.00 0.00 H new ATOM 488 N SER A 31 5.313 8.116 -5.870 1.00 0.00 N ATOM 489 CA SER A 31 6.383 7.365 -6.511 1.00 0.00 C ATOM 490 C SER A 31 7.537 8.283 -6.885 1.00 0.00 C ATOM 491 O SER A 31 8.680 7.848 -6.981 1.00 0.00 O ATOM 492 CB SER A 31 5.855 6.657 -7.762 1.00 0.00 C ATOM 493 OG SER A 31 6.882 5.930 -8.413 1.00 0.00 O ATOM 0 H SER A 31 4.394 7.980 -6.292 1.00 0.00 H new ATOM 0 HA SER A 31 6.748 6.619 -5.804 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.046 5.980 -7.486 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.435 7.392 -8.449 1.00 0.00 H new ATOM 0 HG SER A 31 6.516 5.487 -9.207 1.00 0.00 H new ATOM 499 N SER A 32 7.225 9.557 -7.087 1.00 0.00 N ATOM 500 CA SER A 32 8.230 10.543 -7.455 1.00 0.00 C ATOM 501 C SER A 32 9.150 10.861 -6.281 1.00 0.00 C ATOM 502 O SER A 32 10.336 11.119 -6.469 1.00 0.00 O ATOM 503 CB SER A 32 7.553 11.817 -7.948 1.00 0.00 C ATOM 504 OG SER A 32 8.506 12.758 -8.412 1.00 0.00 O ATOM 0 H SER A 32 6.280 9.931 -7.001 1.00 0.00 H new ATOM 0 HA SER A 32 8.839 10.123 -8.256 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.857 11.575 -8.751 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.968 12.257 -7.140 1.00 0.00 H new ATOM 0 HG SER A 32 8.045 13.564 -8.724 1.00 0.00 H new ATOM 510 N LYS A 33 8.592 10.861 -5.075 1.00 0.00 N ATOM 511 CA LYS A 33 9.372 11.146 -3.876 1.00 0.00 C ATOM 512 C LYS A 33 10.059 9.892 -3.344 1.00 0.00 C ATOM 513 O LYS A 33 11.213 9.933 -2.923 1.00 0.00 O ATOM 514 CB LYS A 33 8.482 11.754 -2.789 1.00 0.00 C ATOM 515 CG LYS A 33 9.265 12.252 -1.584 1.00 0.00 C ATOM 516 CD LYS A 33 8.346 12.708 -0.462 1.00 0.00 C ATOM 517 CE LYS A 33 8.389 11.746 0.714 1.00 0.00 C ATOM 518 NZ LYS A 33 7.608 12.252 1.875 1.00 0.00 N ATOM 0 H LYS A 33 7.606 10.667 -4.902 1.00 0.00 H new ATOM 0 HA LYS A 33 10.144 11.865 -4.150 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.915 12.582 -3.214 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.758 11.008 -2.461 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.916 11.457 -1.220 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.909 13.079 -1.885 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.640 13.704 -0.131 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.324 12.785 -0.834 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.994 10.778 0.405 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.424 11.587 1.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.663 11.567 2.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.000 13.164 2.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.614 12.380 1.596 1.00 0.00 H new ATOM 532 N ASN A 34 9.340 8.778 -3.376 1.00 0.00 N ATOM 533 CA ASN A 34 9.858 7.505 -2.882 1.00 0.00 C ATOM 534 C ASN A 34 10.950 6.950 -3.792 1.00 0.00 C ATOM 535 O ASN A 34 11.842 6.243 -3.333 1.00 0.00 O ATOM 536 CB ASN A 34 8.718 6.487 -2.749 1.00 0.00 C ATOM 537 CG ASN A 34 7.746 6.846 -1.644 1.00 0.00 C ATOM 538 OD1 ASN A 34 7.671 7.998 -1.219 1.00 0.00 O ATOM 539 ND2 ASN A 34 6.986 5.859 -1.180 1.00 0.00 N ATOM 0 H ASN A 34 8.389 8.729 -3.741 1.00 0.00 H new ATOM 0 HA ASN A 34 10.300 7.685 -1.902 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.180 6.423 -3.695 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.137 5.500 -2.553 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.307 6.042 -0.442 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.082 4.918 -1.562 1.00 0.00 H new ATOM 546 N LEU A 35 10.884 7.273 -5.077 1.00 0.00 N ATOM 547 CA LEU A 35 11.876 6.784 -6.028 1.00 0.00 C ATOM 548 C LEU A 35 13.294 7.180 -5.610 1.00 0.00 C ATOM 549 O LEU A 35 14.132 6.314 -5.360 1.00 0.00 O ATOM 550 CB LEU A 35 11.590 7.313 -7.431 1.00 0.00 C ATOM 551 CG LEU A 35 11.519 6.249 -8.523 1.00 0.00 C ATOM 552 CD1 LEU A 35 10.088 5.768 -8.703 1.00 0.00 C ATOM 553 CD2 LEU A 35 12.077 6.794 -9.829 1.00 0.00 C ATOM 0 H LEU A 35 10.161 7.866 -5.483 1.00 0.00 H new ATOM 0 HA LEU A 35 11.808 5.696 -6.035 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.645 7.855 -7.412 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.365 8.032 -7.696 1.00 0.00 H new ATOM 0 HG LEU A 35 12.128 5.397 -8.221 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.055 5.010 -9.485 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.727 5.340 -7.767 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.454 6.609 -8.986 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.020 6.024 -10.598 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.495 7.661 -10.140 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.117 7.088 -9.686 1.00 0.00 H new ATOM 565 N PRO A 36 13.585 8.494 -5.526 1.00 0.00 N ATOM 566 CA PRO A 36 14.910 8.983 -5.142 1.00 0.00 C ATOM 567 C PRO A 36 15.235 8.665 -3.690 1.00 0.00 C ATOM 568 O PRO A 36 16.399 8.555 -3.306 1.00 0.00 O ATOM 569 CB PRO A 36 14.810 10.489 -5.346 1.00 0.00 C ATOM 570 CG PRO A 36 13.359 10.790 -5.204 1.00 0.00 C ATOM 571 CD PRO A 36 12.653 9.603 -5.783 1.00 0.00 C ATOM 0 HA PRO A 36 15.703 8.516 -5.726 1.00 0.00 H new ATOM 0 HB2 PRO A 36 15.401 11.030 -4.607 1.00 0.00 H new ATOM 0 HB3 PRO A 36 15.182 10.782 -6.328 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.088 10.938 -4.159 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.093 11.704 -5.735 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.688 9.436 -5.304 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.462 9.729 -6.849 1.00 0.00 H new ATOM 579 N LEU A 37 14.186 8.519 -2.894 1.00 0.00 N ATOM 580 CA LEU A 37 14.320 8.217 -1.476 1.00 0.00 C ATOM 581 C LEU A 37 14.801 6.789 -1.263 1.00 0.00 C ATOM 582 O LEU A 37 15.354 6.456 -0.214 1.00 0.00 O ATOM 583 CB LEU A 37 12.975 8.427 -0.786 1.00 0.00 C ATOM 584 CG LEU A 37 12.830 9.744 -0.040 1.00 0.00 C ATOM 585 CD1 LEU A 37 13.155 10.921 -0.949 1.00 0.00 C ATOM 586 CD2 LEU A 37 11.426 9.873 0.524 1.00 0.00 C ATOM 0 H LEU A 37 13.221 8.606 -3.211 1.00 0.00 H new ATOM 0 HA LEU A 37 15.063 8.888 -1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 37 12.186 8.363 -1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.814 7.610 -0.083 1.00 0.00 H new ATOM 0 HG LEU A 37 13.540 9.753 0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.044 11.852 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.181 10.832 -1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.473 10.923 -1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.333 10.820 1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.702 9.842 -0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.233 9.050 1.212 1.00 0.00 H new ATOM 598 N GLY A 38 14.584 5.954 -2.267 1.00 0.00 N ATOM 599 CA GLY A 38 14.988 4.563 -2.184 1.00 0.00 C ATOM 600 C GLY A 38 13.837 3.686 -1.743 1.00 0.00 C ATOM 601 O GLY A 38 13.993 2.482 -1.539 1.00 0.00 O ATOM 0 H GLY A 38 14.133 6.215 -3.144 1.00 0.00 H new ATOM 0 HA2 GLY A 38 15.352 4.229 -3.155 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.815 4.463 -1.481 1.00 0.00 H new ATOM 605 N ILE A 39 12.680 4.314 -1.597 1.00 0.00 N ATOM 606 CA ILE A 39 11.469 3.634 -1.177 1.00 0.00 C ATOM 607 C ILE A 39 10.719 3.062 -2.375 1.00 0.00 C ATOM 608 O ILE A 39 10.759 3.622 -3.471 1.00 0.00 O ATOM 609 CB ILE A 39 10.541 4.608 -0.429 1.00 0.00 C ATOM 610 CG1 ILE A 39 11.283 5.257 0.738 1.00 0.00 C ATOM 611 CG2 ILE A 39 9.284 3.902 0.056 1.00 0.00 C ATOM 612 CD1 ILE A 39 10.640 6.543 1.204 1.00 0.00 C ATOM 0 H ILE A 39 12.557 5.312 -1.767 1.00 0.00 H new ATOM 0 HA ILE A 39 11.761 2.818 -0.515 1.00 0.00 H new ATOM 0 HB ILE A 39 10.236 5.390 -1.124 1.00 0.00 H new ATOM 0 HG12 ILE A 39 11.324 4.555 1.571 1.00 0.00 H new ATOM 0 HG13 ILE A 39 12.312 5.459 0.440 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.647 4.614 0.581 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.744 3.492 -0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.559 3.093 0.733 1.00 0.00 H new ATOM 0 HD11 ILE A 39 11.213 6.956 2.034 1.00 0.00 H new ATOM 0 HD12 ILE A 39 10.623 7.260 0.383 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.620 6.342 1.531 1.00 0.00 H new ATOM 624 N THR A 40 10.038 1.945 -2.158 1.00 0.00 N ATOM 625 CA THR A 40 9.267 1.299 -3.208 1.00 0.00 C ATOM 626 C THR A 40 7.961 0.770 -2.644 1.00 0.00 C ATOM 627 O THR A 40 7.850 0.557 -1.443 1.00 0.00 O ATOM 628 CB THR A 40 10.049 0.138 -3.843 1.00 0.00 C ATOM 629 OG1 THR A 40 11.053 -0.332 -2.934 1.00 0.00 O ATOM 630 CG2 THR A 40 10.698 0.574 -5.147 1.00 0.00 C ATOM 0 H THR A 40 10.005 1.466 -1.258 1.00 0.00 H new ATOM 0 HA THR A 40 9.065 2.044 -3.977 1.00 0.00 H new ATOM 0 HB THR A 40 9.349 -0.670 -4.057 1.00 0.00 H new ATOM 0 HG1 THR A 40 11.812 0.288 -2.936 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.246 -0.264 -5.579 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.928 0.902 -5.845 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.386 1.397 -4.954 1.00 0.00 H new ATOM 638 N GLY A 41 6.965 0.564 -3.495 1.00 0.00 N ATOM 639 CA GLY A 41 5.707 0.059 -2.992 1.00 0.00 C ATOM 640 C GLY A 41 4.543 0.229 -3.941 1.00 0.00 C ATOM 641 O GLY A 41 4.719 0.444 -5.140 1.00 0.00 O ATOM 0 H GLY A 41 7.003 0.733 -4.500 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.821 -1.000 -2.761 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.474 0.566 -2.056 1.00 0.00 H new ATOM 645 N ILE A 42 3.348 0.129 -3.376 1.00 0.00 N ATOM 646 CA ILE A 42 2.108 0.244 -4.137 1.00 0.00 C ATOM 647 C ILE A 42 0.979 0.763 -3.253 1.00 0.00 C ATOM 648 O ILE A 42 1.017 0.620 -2.035 1.00 0.00 O ATOM 649 CB ILE A 42 1.702 -1.120 -4.744 1.00 0.00 C ATOM 650 CG1 ILE A 42 0.226 -1.137 -5.146 1.00 0.00 C ATOM 651 CG2 ILE A 42 1.963 -2.218 -3.742 1.00 0.00 C ATOM 652 CD1 ILE A 42 -0.097 -2.124 -6.240 1.00 0.00 C ATOM 0 H ILE A 42 3.209 -0.034 -2.379 1.00 0.00 H new ATOM 0 HA ILE A 42 2.283 0.952 -4.947 1.00 0.00 H new ATOM 0 HB ILE A 42 2.300 -1.282 -5.641 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.377 -1.371 -4.269 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.063 -0.138 -5.474 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.676 -3.178 -4.171 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.023 -2.235 -3.489 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.378 -2.035 -2.841 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.162 -2.077 -6.470 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.478 -1.878 -7.133 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.159 -3.131 -5.909 1.00 0.00 H new ATOM 664 N LEU A 43 -0.018 1.373 -3.877 1.00 0.00 N ATOM 665 CA LEU A 43 -1.165 1.896 -3.157 1.00 0.00 C ATOM 666 C LEU A 43 -2.445 1.216 -3.620 1.00 0.00 C ATOM 667 O LEU A 43 -2.478 0.594 -4.681 1.00 0.00 O ATOM 668 CB LEU A 43 -1.281 3.401 -3.353 1.00 0.00 C ATOM 669 CG LEU A 43 -1.044 4.234 -2.102 1.00 0.00 C ATOM 670 CD1 LEU A 43 -1.239 5.698 -2.422 1.00 0.00 C ATOM 671 CD2 LEU A 43 -1.974 3.801 -0.980 1.00 0.00 C ATOM 0 H LEU A 43 -0.054 1.517 -4.886 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.020 1.689 -2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.567 3.709 -4.117 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.276 3.626 -3.738 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.020 4.078 -1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.069 6.292 -1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.533 5.999 -3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.257 5.860 -2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.786 4.411 -0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.009 3.929 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.794 2.752 -0.743 1.00 0.00 H new ATOM 683 N LEU A 44 -3.492 1.329 -2.814 1.00 0.00 N ATOM 684 CA LEU A 44 -4.771 0.719 -3.138 1.00 0.00 C ATOM 685 C LEU A 44 -5.935 1.601 -2.720 1.00 0.00 C ATOM 686 O LEU A 44 -5.813 2.423 -1.815 1.00 0.00 O ATOM 687 CB LEU A 44 -4.893 -0.640 -2.461 1.00 0.00 C ATOM 688 CG LEU A 44 -4.236 -1.792 -3.206 1.00 0.00 C ATOM 689 CD1 LEU A 44 -2.777 -1.939 -2.810 1.00 0.00 C ATOM 690 CD2 LEU A 44 -4.993 -3.079 -2.954 1.00 0.00 C ATOM 0 H LEU A 44 -3.479 1.838 -1.930 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.810 0.595 -4.220 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.454 -0.574 -1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.950 -0.869 -2.328 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.269 -1.572 -4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.333 -2.770 -3.358 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.241 -1.020 -3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.708 -2.133 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.512 -3.895 -3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.992 -3.299 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.021 -2.971 -3.301 1.00 0.00 H new ATOM 702 N PHE A 45 -7.061 1.421 -3.392 1.00 0.00 N ATOM 703 CA PHE A 45 -8.267 2.178 -3.092 1.00 0.00 C ATOM 704 C PHE A 45 -9.494 1.334 -3.413 1.00 0.00 C ATOM 705 O PHE A 45 -9.577 0.735 -4.483 1.00 0.00 O ATOM 706 CB PHE A 45 -8.286 3.488 -3.882 1.00 0.00 C ATOM 707 CG PHE A 45 -9.365 4.444 -3.454 1.00 0.00 C ATOM 708 CD1 PHE A 45 -9.371 4.976 -2.174 1.00 0.00 C ATOM 709 CD2 PHE A 45 -10.370 4.815 -4.333 1.00 0.00 C ATOM 710 CE1 PHE A 45 -10.357 5.859 -1.778 1.00 0.00 C ATOM 711 CE2 PHE A 45 -11.358 5.699 -3.943 1.00 0.00 C ATOM 712 CZ PHE A 45 -11.352 6.222 -2.664 1.00 0.00 C ATOM 0 H PHE A 45 -7.165 0.752 -4.155 1.00 0.00 H new ATOM 0 HA PHE A 45 -8.279 2.426 -2.031 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.318 3.978 -3.777 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.415 3.261 -4.940 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.595 4.697 -1.477 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -10.381 4.409 -5.334 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -10.350 6.265 -0.777 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -12.135 5.981 -4.638 1.00 0.00 H new ATOM 0 HZ PHE A 45 -12.124 6.913 -2.358 1.00 0.00 H new ATOM 722 N ASN A 46 -10.449 1.288 -2.495 1.00 0.00 N ATOM 723 CA ASN A 46 -11.651 0.493 -2.699 1.00 0.00 C ATOM 724 C ASN A 46 -12.880 1.380 -2.630 1.00 0.00 C ATOM 725 O ASN A 46 -14.012 0.897 -2.604 1.00 0.00 O ATOM 726 CB ASN A 46 -11.740 -0.618 -1.653 1.00 0.00 C ATOM 727 CG ASN A 46 -12.212 -0.107 -0.304 1.00 0.00 C ATOM 728 OD1 ASN A 46 -13.407 -0.114 -0.010 1.00 0.00 O ATOM 729 ND2 ASN A 46 -11.274 0.343 0.520 1.00 0.00 N ATOM 0 H ASN A 46 -10.416 1.789 -1.607 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.603 0.034 -3.687 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.423 -1.391 -2.005 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.762 -1.085 -1.539 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.532 0.702 1.439 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.295 0.330 0.234 1.00 0.00 H new ATOM 736 N GLY A 47 -12.644 2.686 -2.597 1.00 0.00 N ATOM 737 CA GLY A 47 -13.738 3.627 -2.529 1.00 0.00 C ATOM 738 C GLY A 47 -13.929 4.185 -1.138 1.00 0.00 C ATOM 739 O GLY A 47 -14.819 5.005 -0.908 1.00 0.00 O ATOM 0 H GLY A 47 -11.715 3.107 -2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.554 4.446 -3.224 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.657 3.136 -2.851 1.00 0.00 H new ATOM 743 N LEU A 48 -13.094 3.741 -0.207 1.00 0.00 N ATOM 744 CA LEU A 48 -13.184 4.203 1.167 1.00 0.00 C ATOM 745 C LEU A 48 -11.827 4.162 1.860 1.00 0.00 C ATOM 746 O LEU A 48 -11.484 5.075 2.605 1.00 0.00 O ATOM 747 CB LEU A 48 -14.190 3.345 1.941 1.00 0.00 C ATOM 748 CG LEU A 48 -14.770 3.973 3.219 1.00 0.00 C ATOM 749 CD1 LEU A 48 -13.714 4.064 4.312 1.00 0.00 C ATOM 750 CD2 LEU A 48 -15.353 5.349 2.926 1.00 0.00 C ATOM 0 H LEU A 48 -12.351 3.064 -0.380 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.522 5.239 1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.016 3.099 1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -13.706 2.406 2.209 1.00 0.00 H new ATOM 0 HG LEU A 48 -15.572 3.326 3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.152 4.512 5.204 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.349 3.065 4.549 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -12.884 4.681 3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -15.758 5.775 3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.570 6.001 2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -16.149 5.257 2.187 1.00 0.00 H new ATOM 762 N GLN A 49 -11.049 3.113 1.604 1.00 0.00 N ATOM 763 CA GLN A 49 -9.748 2.968 2.253 1.00 0.00 C ATOM 764 C GLN A 49 -8.574 3.069 1.284 1.00 0.00 C ATOM 765 O GLN A 49 -8.739 3.010 0.066 1.00 0.00 O ATOM 766 CB GLN A 49 -9.679 1.627 2.982 1.00 0.00 C ATOM 767 CG GLN A 49 -10.666 1.500 4.126 1.00 0.00 C ATOM 768 CD GLN A 49 -10.767 0.083 4.656 1.00 0.00 C ATOM 769 OE1 GLN A 49 -11.586 -0.709 4.191 1.00 0.00 O ATOM 770 NE2 GLN A 49 -9.929 -0.243 5.634 1.00 0.00 N ATOM 0 H GLN A 49 -11.292 2.360 0.961 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.660 3.798 2.954 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.862 0.825 2.266 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.670 1.486 3.368 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.366 2.166 4.935 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -11.649 1.829 3.790 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.266 0.446 5.989 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.948 -1.183 6.030 1.00 0.00 H new ATOM 779 N PHE A 50 -7.382 3.219 1.863 1.00 0.00 N ATOM 780 CA PHE A 50 -6.139 3.312 1.103 1.00 0.00 C ATOM 781 C PHE A 50 -5.096 2.365 1.673 1.00 0.00 C ATOM 782 O PHE A 50 -4.505 2.642 2.716 1.00 0.00 O ATOM 783 CB PHE A 50 -5.561 4.723 1.153 1.00 0.00 C ATOM 784 CG PHE A 50 -6.042 5.648 0.073 1.00 0.00 C ATOM 785 CD1 PHE A 50 -5.719 5.422 -1.256 1.00 0.00 C ATOM 786 CD2 PHE A 50 -6.801 6.762 0.392 1.00 0.00 C ATOM 787 CE1 PHE A 50 -6.146 6.281 -2.236 1.00 0.00 C ATOM 788 CE2 PHE A 50 -7.230 7.624 -0.586 1.00 0.00 C ATOM 789 CZ PHE A 50 -6.901 7.382 -1.903 1.00 0.00 C ATOM 0 H PHE A 50 -7.253 3.279 2.873 1.00 0.00 H new ATOM 0 HA PHE A 50 -6.376 3.048 0.072 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.802 5.163 2.121 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.475 4.656 1.095 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.125 4.560 -1.522 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.058 6.955 1.423 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.890 6.093 -3.268 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.823 8.488 -0.325 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.237 8.058 -2.675 1.00 0.00 H new ATOM 799 N PHE A 51 -4.865 1.255 0.995 1.00 0.00 N ATOM 800 CA PHE A 51 -3.865 0.296 1.444 1.00 0.00 C ATOM 801 C PHE A 51 -2.530 0.660 0.811 1.00 0.00 C ATOM 802 O PHE A 51 -2.430 0.754 -0.408 1.00 0.00 O ATOM 803 CB PHE A 51 -4.290 -1.116 1.067 1.00 0.00 C ATOM 804 CG PHE A 51 -3.316 -2.172 1.481 1.00 0.00 C ATOM 805 CD1 PHE A 51 -3.286 -2.642 2.782 1.00 0.00 C ATOM 806 CD2 PHE A 51 -2.432 -2.698 0.561 1.00 0.00 C ATOM 807 CE1 PHE A 51 -2.387 -3.621 3.155 1.00 0.00 C ATOM 808 CE2 PHE A 51 -1.536 -3.676 0.926 1.00 0.00 C ATOM 809 CZ PHE A 51 -1.509 -4.140 2.222 1.00 0.00 C ATOM 0 H PHE A 51 -5.351 0.994 0.137 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.766 0.330 2.529 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.257 -1.328 1.523 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.429 -1.167 -0.013 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.972 -2.239 3.512 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.444 -2.338 -0.457 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.370 -3.981 4.173 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.852 -4.081 0.194 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.804 -4.907 2.509 1.00 0.00 H new ATOM 819 N GLN A 52 -1.493 0.844 1.622 1.00 0.00 N ATOM 820 CA GLN A 52 -0.215 1.276 1.087 1.00 0.00 C ATOM 821 C GLN A 52 0.944 0.386 1.503 1.00 0.00 C ATOM 822 O GLN A 52 1.325 0.338 2.673 1.00 0.00 O ATOM 823 CB GLN A 52 0.048 2.711 1.537 1.00 0.00 C ATOM 824 CG GLN A 52 1.064 3.455 0.686 1.00 0.00 C ATOM 825 CD GLN A 52 0.719 4.926 0.542 1.00 0.00 C ATOM 826 OE1 GLN A 52 0.086 5.515 1.417 1.00 0.00 O ATOM 827 NE2 GLN A 52 1.135 5.530 -0.564 1.00 0.00 N ATOM 0 H GLN A 52 -1.514 0.703 2.632 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.278 1.211 0.001 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.892 3.262 1.524 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.396 2.698 2.570 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.053 3.357 1.134 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.115 2.996 -0.302 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.657 5.006 -1.266 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.932 6.519 -0.712 1.00 0.00 H new ATOM 836 N VAL A 53 1.494 -0.319 0.527 1.00 0.00 N ATOM 837 CA VAL A 53 2.649 -1.174 0.754 1.00 0.00 C ATOM 838 C VAL A 53 3.910 -0.348 0.570 1.00 0.00 C ATOM 839 O VAL A 53 4.163 0.168 -0.515 1.00 0.00 O ATOM 840 CB VAL A 53 2.692 -2.377 -0.212 1.00 0.00 C ATOM 841 CG1 VAL A 53 4.081 -2.998 -0.248 1.00 0.00 C ATOM 842 CG2 VAL A 53 1.661 -3.410 0.184 1.00 0.00 C ATOM 0 H VAL A 53 1.157 -0.316 -0.436 1.00 0.00 H new ATOM 0 HA VAL A 53 2.577 -1.569 1.767 1.00 0.00 H new ATOM 0 HB VAL A 53 2.457 -2.016 -1.213 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.084 -3.843 -0.936 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.803 -2.254 -0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.352 -3.342 0.750 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.705 -4.251 -0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.867 -3.760 1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.667 -2.964 0.150 1.00 0.00 H new ATOM 852 N LEU A 54 4.690 -0.213 1.628 1.00 0.00 N ATOM 853 CA LEU A 54 5.911 0.574 1.562 1.00 0.00 C ATOM 854 C LEU A 54 7.151 -0.286 1.763 1.00 0.00 C ATOM 855 O LEU A 54 7.174 -1.192 2.598 1.00 0.00 O ATOM 856 CB LEU A 54 5.881 1.679 2.610 1.00 0.00 C ATOM 857 CG LEU A 54 5.992 3.096 2.060 1.00 0.00 C ATOM 858 CD1 LEU A 54 4.830 3.407 1.127 1.00 0.00 C ATOM 859 CD2 LEU A 54 6.044 4.082 3.210 1.00 0.00 C ATOM 0 H LEU A 54 4.503 -0.634 2.538 1.00 0.00 H new ATOM 0 HA LEU A 54 5.963 1.012 0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.953 1.597 3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.698 1.514 3.313 1.00 0.00 H new ATOM 0 HG LEU A 54 6.911 3.182 1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.931 4.424 0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.835 2.705 0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.891 3.315 1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.123 5.096 2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.136 3.994 3.806 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.910 3.866 3.835 1.00 0.00 H new ATOM 871 N GLU A 55 8.183 0.028 0.995 1.00 0.00 N ATOM 872 CA GLU A 55 9.451 -0.693 1.059 1.00 0.00 C ATOM 873 C GLU A 55 10.608 0.285 1.225 1.00 0.00 C ATOM 874 O GLU A 55 10.542 1.417 0.757 1.00 0.00 O ATOM 875 CB GLU A 55 9.659 -1.525 -0.208 1.00 0.00 C ATOM 876 CG GLU A 55 8.432 -2.317 -0.626 1.00 0.00 C ATOM 877 CD GLU A 55 8.672 -3.815 -0.615 1.00 0.00 C ATOM 878 OE1 GLU A 55 8.539 -4.429 0.463 1.00 0.00 O ATOM 879 OE2 GLU A 55 8.996 -4.372 -1.684 1.00 0.00 O ATOM 0 H GLU A 55 8.169 0.785 0.312 1.00 0.00 H new ATOM 0 HA GLU A 55 9.421 -1.361 1.920 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.948 -0.862 -1.024 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.488 -2.214 -0.048 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.606 -2.080 0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.129 -2.009 -1.627 1.00 0.00 H new ATOM 886 N GLY A 56 11.671 -0.157 1.883 1.00 0.00 N ATOM 887 CA GLY A 56 12.817 0.705 2.094 1.00 0.00 C ATOM 888 C GLY A 56 13.261 0.730 3.541 1.00 0.00 C ATOM 889 O GLY A 56 12.665 0.068 4.388 1.00 0.00 O ATOM 0 H GLY A 56 11.760 -1.095 2.274 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.643 0.366 1.469 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.570 1.718 1.775 1.00 0.00 H new ATOM 893 N THR A 57 14.307 1.498 3.825 1.00 0.00 N ATOM 894 CA THR A 57 14.831 1.609 5.181 1.00 0.00 C ATOM 895 C THR A 57 13.730 1.962 6.170 1.00 0.00 C ATOM 896 O THR A 57 12.862 2.782 5.879 1.00 0.00 O ATOM 897 CB THR A 57 15.927 2.680 5.271 1.00 0.00 C ATOM 898 OG1 THR A 57 15.708 3.697 4.286 1.00 0.00 O ATOM 899 CG2 THR A 57 17.299 2.064 5.082 1.00 0.00 C ATOM 0 H THR A 57 14.809 2.054 3.133 1.00 0.00 H new ATOM 0 HA THR A 57 15.252 0.636 5.433 1.00 0.00 H new ATOM 0 HB THR A 57 15.883 3.129 6.263 1.00 0.00 H new ATOM 0 HG1 THR A 57 16.412 4.375 4.354 1.00 0.00 H new ATOM 0 HG21 THR A 57 18.060 2.842 5.150 1.00 0.00 H new ATOM 0 HG22 THR A 57 17.473 1.318 5.857 1.00 0.00 H new ATOM 0 HG23 THR A 57 17.353 1.589 4.103 1.00 0.00 H new ATOM 907 N GLU A 58 13.775 1.336 7.342 1.00 0.00 N ATOM 908 CA GLU A 58 12.786 1.589 8.383 1.00 0.00 C ATOM 909 C GLU A 58 12.717 3.077 8.696 1.00 0.00 C ATOM 910 O GLU A 58 11.673 3.591 9.100 1.00 0.00 O ATOM 911 CB GLU A 58 13.140 0.810 9.648 1.00 0.00 C ATOM 912 CG GLU A 58 12.021 0.783 10.676 1.00 0.00 C ATOM 913 CD GLU A 58 12.429 0.090 11.961 1.00 0.00 C ATOM 914 OE1 GLU A 58 12.944 0.776 12.869 1.00 0.00 O ATOM 915 OE2 GLU A 58 12.232 -1.139 12.061 1.00 0.00 O ATOM 0 H GLU A 58 14.486 0.650 7.594 1.00 0.00 H new ATOM 0 HA GLU A 58 11.812 1.258 8.023 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.397 -0.214 9.375 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.028 1.251 10.101 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.713 1.804 10.900 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.155 0.275 10.252 1.00 0.00 H new ATOM 922 N GLU A 59 13.841 3.761 8.513 1.00 0.00 N ATOM 923 CA GLU A 59 13.914 5.195 8.762 1.00 0.00 C ATOM 924 C GLU A 59 13.061 5.960 7.765 1.00 0.00 C ATOM 925 O GLU A 59 12.422 6.957 8.103 1.00 0.00 O ATOM 926 CB GLU A 59 15.353 5.678 8.705 1.00 0.00 C ATOM 927 CG GLU A 59 16.059 5.382 7.389 1.00 0.00 C ATOM 928 CD GLU A 59 17.398 6.085 7.277 1.00 0.00 C ATOM 929 OE1 GLU A 59 17.424 7.244 6.814 1.00 0.00 O ATOM 930 OE2 GLU A 59 18.421 5.474 7.652 1.00 0.00 O ATOM 0 H GLU A 59 14.715 3.344 8.193 1.00 0.00 H new ATOM 0 HA GLU A 59 13.526 5.383 9.763 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.371 6.754 8.880 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.913 5.214 9.517 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.208 4.306 7.294 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.421 5.689 6.561 1.00 0.00 H new ATOM 937 N ALA A 60 13.061 5.480 6.535 1.00 0.00 N ATOM 938 CA ALA A 60 12.282 6.089 5.464 1.00 0.00 C ATOM 939 C ALA A 60 10.809 5.736 5.610 1.00 0.00 C ATOM 940 O ALA A 60 9.933 6.574 5.398 1.00 0.00 O ATOM 941 CB ALA A 60 12.799 5.630 4.111 1.00 0.00 C ATOM 0 H ALA A 60 13.597 4.661 6.248 1.00 0.00 H new ATOM 0 HA ALA A 60 12.388 7.172 5.532 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.208 6.092 3.320 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.843 5.922 4.002 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.717 4.546 4.039 1.00 0.00 H new ATOM 947 N LEU A 61 10.548 4.484 5.974 1.00 0.00 N ATOM 948 CA LEU A 61 9.183 4.004 6.157 1.00 0.00 C ATOM 949 C LEU A 61 8.456 4.832 7.200 1.00 0.00 C ATOM 950 O LEU A 61 7.398 5.388 6.935 1.00 0.00 O ATOM 951 CB LEU A 61 9.182 2.535 6.589 1.00 0.00 C ATOM 952 CG LEU A 61 9.412 1.506 5.476 1.00 0.00 C ATOM 953 CD1 LEU A 61 10.215 2.080 4.326 1.00 0.00 C ATOM 954 CD2 LEU A 61 10.067 0.273 6.035 1.00 0.00 C ATOM 0 H LEU A 61 11.267 3.782 6.148 1.00 0.00 H new ATOM 0 HA LEU A 61 8.667 4.100 5.202 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.954 2.399 7.347 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.226 2.318 7.065 1.00 0.00 H new ATOM 0 HG LEU A 61 8.438 1.231 5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.353 1.316 3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.682 2.929 3.898 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.188 2.409 4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.225 -0.450 5.235 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.027 0.540 6.478 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.425 -0.166 6.799 1.00 0.00 H new ATOM 966 N GLU A 62 9.048 4.915 8.382 1.00 0.00 N ATOM 967 CA GLU A 62 8.459 5.657 9.493 1.00 0.00 C ATOM 968 C GLU A 62 8.202 7.111 9.134 1.00 0.00 C ATOM 969 O GLU A 62 7.071 7.582 9.189 1.00 0.00 O ATOM 970 CB GLU A 62 9.386 5.608 10.701 1.00 0.00 C ATOM 971 CG GLU A 62 8.747 6.135 11.975 1.00 0.00 C ATOM 972 CD GLU A 62 9.721 6.187 13.135 1.00 0.00 C ATOM 973 OE1 GLU A 62 9.862 5.165 13.839 1.00 0.00 O ATOM 974 OE2 GLU A 62 10.345 7.250 13.339 1.00 0.00 O ATOM 0 H GLU A 62 9.942 4.475 8.600 1.00 0.00 H new ATOM 0 HA GLU A 62 7.504 5.185 9.724 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.705 4.578 10.863 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.282 6.190 10.486 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.351 7.134 11.792 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.902 5.501 12.243 1.00 0.00 H new ATOM 981 N SER A 63 9.268 7.812 8.776 1.00 0.00 N ATOM 982 CA SER A 63 9.184 9.225 8.421 1.00 0.00 C ATOM 983 C SER A 63 8.091 9.491 7.398 1.00 0.00 C ATOM 984 O SER A 63 7.257 10.378 7.580 1.00 0.00 O ATOM 985 CB SER A 63 10.520 9.708 7.864 1.00 0.00 C ATOM 986 OG SER A 63 10.680 11.104 8.052 1.00 0.00 O ATOM 0 H SER A 63 10.209 7.423 8.723 1.00 0.00 H new ATOM 0 HA SER A 63 8.938 9.771 9.332 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.335 9.177 8.355 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.580 9.472 6.802 1.00 0.00 H new ATOM 0 HG SER A 63 11.545 11.386 7.688 1.00 0.00 H new ATOM 992 N LEU A 64 8.099 8.718 6.325 1.00 0.00 N ATOM 993 CA LEU A 64 7.125 8.870 5.267 1.00 0.00 C ATOM 994 C LEU A 64 5.737 8.561 5.778 1.00 0.00 C ATOM 995 O LEU A 64 4.851 9.407 5.771 1.00 0.00 O ATOM 996 CB LEU A 64 7.475 7.950 4.133 1.00 0.00 C ATOM 997 CG LEU A 64 7.007 8.430 2.769 1.00 0.00 C ATOM 998 CD1 LEU A 64 6.652 7.246 1.942 1.00 0.00 C ATOM 999 CD2 LEU A 64 5.794 9.328 2.892 1.00 0.00 C ATOM 0 H LEU A 64 8.778 7.973 6.167 1.00 0.00 H new ATOM 0 HA LEU A 64 7.138 9.902 4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.557 7.820 4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.040 6.970 4.329 1.00 0.00 H new ATOM 0 HG LEU A 64 7.811 9.000 2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.314 7.576 0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.527 6.606 1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.854 6.687 2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.482 9.656 1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.981 8.778 3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.045 10.198 3.499 1.00 0.00 H new ATOM 1011 N PHE A 65 5.558 7.325 6.172 1.00 0.00 N ATOM 1012 CA PHE A 65 4.298 6.860 6.717 1.00 0.00 C ATOM 1013 C PHE A 65 3.780 7.822 7.792 1.00 0.00 C ATOM 1014 O PHE A 65 2.568 7.970 7.983 1.00 0.00 O ATOM 1015 CB PHE A 65 4.530 5.455 7.276 1.00 0.00 C ATOM 1016 CG PHE A 65 3.543 4.969 8.293 1.00 0.00 C ATOM 1017 CD1 PHE A 65 2.181 5.020 8.061 1.00 0.00 C ATOM 1018 CD2 PHE A 65 3.998 4.434 9.484 1.00 0.00 C ATOM 1019 CE1 PHE A 65 1.294 4.546 9.006 1.00 0.00 C ATOM 1020 CE2 PHE A 65 3.117 3.958 10.427 1.00 0.00 C ATOM 1021 CZ PHE A 65 1.764 4.013 10.189 1.00 0.00 C ATOM 0 H PHE A 65 6.281 6.607 6.125 1.00 0.00 H new ATOM 0 HA PHE A 65 3.532 6.826 5.942 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.535 4.753 6.442 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.523 5.426 7.723 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.809 5.433 7.135 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.060 4.389 9.677 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.231 4.592 8.820 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.487 3.542 11.352 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.070 3.639 10.927 1.00 0.00 H new ATOM 1031 N SER A 66 4.701 8.492 8.486 1.00 0.00 N ATOM 1032 CA SER A 66 4.315 9.443 9.520 1.00 0.00 C ATOM 1033 C SER A 66 3.793 10.719 8.877 1.00 0.00 C ATOM 1034 O SER A 66 2.991 11.443 9.467 1.00 0.00 O ATOM 1035 CB SER A 66 5.494 9.749 10.448 1.00 0.00 C ATOM 1036 OG SER A 66 5.786 8.641 11.282 1.00 0.00 O ATOM 0 H SER A 66 5.707 8.393 8.351 1.00 0.00 H new ATOM 0 HA SER A 66 3.522 9.001 10.123 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.372 10.003 9.854 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.262 10.619 11.062 1.00 0.00 H new ATOM 0 HG SER A 66 6.306 7.981 10.778 1.00 0.00 H new ATOM 1042 N GLU A 67 4.254 10.984 7.659 1.00 0.00 N ATOM 1043 CA GLU A 67 3.812 12.145 6.913 1.00 0.00 C ATOM 1044 C GLU A 67 2.417 11.874 6.384 1.00 0.00 C ATOM 1045 O GLU A 67 1.611 12.783 6.180 1.00 0.00 O ATOM 1046 CB GLU A 67 4.774 12.406 5.762 1.00 0.00 C ATOM 1047 CG GLU A 67 6.149 12.856 6.216 1.00 0.00 C ATOM 1048 CD GLU A 67 6.364 14.346 6.046 1.00 0.00 C ATOM 1049 OE1 GLU A 67 6.024 15.106 6.977 1.00 0.00 O ATOM 1050 OE2 GLU A 67 6.875 14.754 4.981 1.00 0.00 O ATOM 0 H GLU A 67 4.936 10.404 7.170 1.00 0.00 H new ATOM 0 HA GLU A 67 3.794 13.025 7.555 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.875 11.497 5.169 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.348 13.167 5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.285 12.591 7.264 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.908 12.317 5.650 1.00 0.00 H new ATOM 1057 N ILE A 68 2.160 10.592 6.168 1.00 0.00 N ATOM 1058 CA ILE A 68 0.884 10.114 5.682 1.00 0.00 C ATOM 1059 C ILE A 68 -0.228 10.431 6.665 1.00 0.00 C ATOM 1060 O ILE A 68 -1.213 11.063 6.304 1.00 0.00 O ATOM 1061 CB ILE A 68 0.969 8.596 5.423 1.00 0.00 C ATOM 1062 CG1 ILE A 68 1.485 8.342 4.015 1.00 0.00 C ATOM 1063 CG2 ILE A 68 -0.367 7.893 5.625 1.00 0.00 C ATOM 1064 CD1 ILE A 68 2.663 9.194 3.630 1.00 0.00 C ATOM 0 H ILE A 68 2.842 9.851 6.328 1.00 0.00 H new ATOM 0 HA ILE A 68 0.650 10.624 4.747 1.00 0.00 H new ATOM 0 HB ILE A 68 1.662 8.180 6.154 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.765 7.292 3.926 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.676 8.517 3.306 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.250 6.827 5.430 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.704 8.039 6.651 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.104 8.309 4.939 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.970 8.952 2.613 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.384 10.246 3.684 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.490 9.002 4.314 1.00 0.00 H new ATOM 1076 N GLN A 69 -0.066 10.011 7.916 1.00 0.00 N ATOM 1077 CA GLN A 69 -1.095 10.258 8.920 1.00 0.00 C ATOM 1078 C GLN A 69 -1.326 11.754 9.123 1.00 0.00 C ATOM 1079 O GLN A 69 -2.281 12.160 9.788 1.00 0.00 O ATOM 1080 CB GLN A 69 -0.728 9.585 10.237 1.00 0.00 C ATOM 1081 CG GLN A 69 -0.310 8.134 10.072 1.00 0.00 C ATOM 1082 CD GLN A 69 0.018 7.467 11.389 1.00 0.00 C ATOM 1083 OE1 GLN A 69 -0.597 7.751 12.416 1.00 0.00 O ATOM 1084 NE2 GLN A 69 1.006 6.584 11.367 1.00 0.00 N ATOM 0 H GLN A 69 0.753 9.507 8.255 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.028 9.826 8.558 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.085 10.139 10.707 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.581 9.636 10.914 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.112 7.583 9.580 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.560 8.083 9.417 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.488 6.380 10.492 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.284 6.109 12.225 1.00 0.00 H new ATOM 1093 N SER A 70 -0.449 12.569 8.546 1.00 0.00 N ATOM 1094 CA SER A 70 -0.564 14.020 8.652 1.00 0.00 C ATOM 1095 C SER A 70 -1.291 14.592 7.437 1.00 0.00 C ATOM 1096 O SER A 70 -1.280 15.801 7.204 1.00 0.00 O ATOM 1097 CB SER A 70 0.822 14.652 8.777 1.00 0.00 C ATOM 1098 OG SER A 70 0.732 16.050 8.985 1.00 0.00 O ATOM 0 H SER A 70 0.351 12.249 7.999 1.00 0.00 H new ATOM 0 HA SER A 70 -1.143 14.254 9.545 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.360 14.193 9.606 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.398 14.453 7.873 1.00 0.00 H new ATOM 0 HG SER A 70 0.008 16.417 8.436 1.00 0.00 H new ATOM 1104 N ASP A 71 -1.923 13.711 6.666 1.00 0.00 N ATOM 1105 CA ASP A 71 -2.656 14.117 5.468 1.00 0.00 C ATOM 1106 C ASP A 71 -4.151 14.260 5.763 1.00 0.00 C ATOM 1107 O ASP A 71 -4.686 13.569 6.632 1.00 0.00 O ATOM 1108 CB ASP A 71 -2.433 13.102 4.346 1.00 0.00 C ATOM 1109 CG ASP A 71 -1.868 13.742 3.095 1.00 0.00 C ATOM 1110 OD1 ASP A 71 -0.639 13.954 3.040 1.00 0.00 O ATOM 1111 OD2 ASP A 71 -2.654 14.032 2.168 1.00 0.00 O ATOM 0 H ASP A 71 -1.943 12.708 6.850 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.278 15.088 5.149 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.752 12.324 4.693 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.378 12.615 4.107 1.00 0.00 H new ATOM 1116 N PRO A 72 -4.849 15.160 5.038 1.00 0.00 N ATOM 1117 CA PRO A 72 -6.276 15.404 5.238 1.00 0.00 C ATOM 1118 C PRO A 72 -7.188 14.484 4.423 1.00 0.00 C ATOM 1119 O PRO A 72 -8.307 14.194 4.843 1.00 0.00 O ATOM 1120 CB PRO A 72 -6.424 16.845 4.766 1.00 0.00 C ATOM 1121 CG PRO A 72 -5.427 16.980 3.664 1.00 0.00 C ATOM 1122 CD PRO A 72 -4.297 16.028 3.979 1.00 0.00 C ATOM 0 HA PRO A 72 -6.575 15.217 6.269 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.436 17.045 4.413 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.222 17.550 5.573 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.879 16.739 2.702 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.062 18.005 3.596 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.004 15.451 3.102 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.410 16.560 4.321 1.00 0.00 H new ATOM 1130 N ARG A 73 -6.719 14.035 3.258 1.00 0.00 N ATOM 1131 CA ARG A 73 -7.523 13.159 2.405 1.00 0.00 C ATOM 1132 C ARG A 73 -8.040 11.957 3.190 1.00 0.00 C ATOM 1133 O ARG A 73 -9.197 11.935 3.609 1.00 0.00 O ATOM 1134 CB ARG A 73 -6.723 12.692 1.190 1.00 0.00 C ATOM 1135 CG ARG A 73 -7.499 11.748 0.288 1.00 0.00 C ATOM 1136 CD ARG A 73 -6.819 11.580 -1.059 1.00 0.00 C ATOM 1137 NE ARG A 73 -6.618 12.862 -1.728 1.00 0.00 N ATOM 1138 CZ ARG A 73 -5.701 13.077 -2.667 1.00 0.00 C ATOM 1139 NH1 ARG A 73 -4.885 12.103 -3.039 1.00 0.00 N ATOM 1140 NH2 ARG A 73 -5.598 14.272 -3.232 1.00 0.00 N ATOM 0 H ARG A 73 -5.796 14.260 2.886 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.378 13.735 2.053 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.412 13.562 0.612 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.815 12.194 1.531 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -7.594 10.776 0.772 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.509 12.131 0.142 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.857 11.087 -0.921 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -7.423 10.930 -1.692 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.218 13.641 -1.458 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.958 11.183 -2.605 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.183 12.273 -3.760 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.222 15.027 -2.947 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.895 14.437 -3.952 1.00 0.00 H new ATOM 1154 N HIS A 74 -7.188 10.954 3.382 1.00 0.00 N ATOM 1155 CA HIS A 74 -7.573 9.772 4.143 1.00 0.00 C ATOM 1156 C HIS A 74 -7.810 10.161 5.602 1.00 0.00 C ATOM 1157 O HIS A 74 -8.059 11.332 5.896 1.00 0.00 O ATOM 1158 CB HIS A 74 -6.491 8.702 4.045 1.00 0.00 C ATOM 1159 CG HIS A 74 -5.122 9.208 4.349 1.00 0.00 C ATOM 1160 ND1 HIS A 74 -3.993 8.766 3.694 1.00 0.00 N ATOM 1161 CD2 HIS A 74 -4.699 10.128 5.244 1.00 0.00 C ATOM 1162 CE1 HIS A 74 -2.937 9.393 4.175 1.00 0.00 C ATOM 1163 NE2 HIS A 74 -3.341 10.225 5.116 1.00 0.00 N ATOM 0 H HIS A 74 -6.233 10.936 3.024 1.00 0.00 H new ATOM 0 HA HIS A 74 -8.494 9.363 3.729 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -6.731 7.891 4.733 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -6.499 8.280 3.040 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -5.318 10.683 5.933 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -1.916 9.250 3.854 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -2.738 10.841 5.660 1.00 0.00 H new ATOM 1172 N ARG A 75 -7.733 9.204 6.526 1.00 0.00 N ATOM 1173 CA ARG A 75 -7.952 9.537 7.932 1.00 0.00 C ATOM 1174 C ARG A 75 -7.425 8.483 8.909 1.00 0.00 C ATOM 1175 O ARG A 75 -6.565 8.776 9.738 1.00 0.00 O ATOM 1176 CB ARG A 75 -9.445 9.759 8.171 1.00 0.00 C ATOM 1177 CG ARG A 75 -10.318 8.722 7.497 1.00 0.00 C ATOM 1178 CD ARG A 75 -11.720 9.243 7.250 1.00 0.00 C ATOM 1179 NE ARG A 75 -12.737 8.361 7.817 1.00 0.00 N ATOM 1180 CZ ARG A 75 -14.045 8.582 7.721 1.00 0.00 C ATOM 1181 NH1 ARG A 75 -14.495 9.653 7.082 1.00 0.00 N ATOM 1182 NH2 ARG A 75 -14.903 7.731 8.265 1.00 0.00 N ATOM 0 H ARG A 75 -7.528 8.223 6.336 1.00 0.00 H new ATOM 0 HA ARG A 75 -7.383 10.446 8.129 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.640 9.747 9.243 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.721 10.749 7.807 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.867 8.427 6.549 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.366 7.828 8.118 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.819 10.238 7.684 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.885 9.345 6.178 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.426 7.527 8.315 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.837 10.310 6.662 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.499 9.820 7.010 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.560 6.906 8.758 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -15.906 7.901 8.191 1.00 0.00 H new ATOM 1196 N ASP A 76 -7.942 7.263 8.812 1.00 0.00 N ATOM 1197 CA ASP A 76 -7.559 6.194 9.737 1.00 0.00 C ATOM 1198 C ASP A 76 -6.373 5.361 9.264 1.00 0.00 C ATOM 1199 O ASP A 76 -6.462 4.137 9.166 1.00 0.00 O ATOM 1200 CB ASP A 76 -8.756 5.289 9.987 1.00 0.00 C ATOM 1201 CG ASP A 76 -8.563 4.378 11.184 1.00 0.00 C ATOM 1202 OD1 ASP A 76 -8.772 4.844 12.325 1.00 0.00 O ATOM 1203 OD2 ASP A 76 -8.206 3.197 10.982 1.00 0.00 O ATOM 0 H ASP A 76 -8.625 6.987 8.106 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.239 6.681 10.658 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.644 5.902 10.142 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.939 4.682 9.100 1.00 0.00 H new ATOM 1208 N VAL A 77 -5.267 6.023 8.975 1.00 0.00 N ATOM 1209 CA VAL A 77 -4.052 5.324 8.564 1.00 0.00 C ATOM 1210 C VAL A 77 -3.358 4.732 9.780 1.00 0.00 C ATOM 1211 O VAL A 77 -3.011 5.442 10.724 1.00 0.00 O ATOM 1212 CB VAL A 77 -3.070 6.241 7.800 1.00 0.00 C ATOM 1213 CG1 VAL A 77 -3.205 7.666 8.272 1.00 0.00 C ATOM 1214 CG2 VAL A 77 -1.634 5.766 7.924 1.00 0.00 C ATOM 0 H VAL A 77 -5.180 7.038 9.015 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.355 4.530 7.881 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.333 6.194 6.743 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.507 8.298 7.724 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.223 8.013 8.096 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.983 7.719 9.338 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.979 6.440 7.372 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.343 5.757 8.974 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.547 4.759 7.515 1.00 0.00 H new ATOM 1224 N VAL A 78 -3.165 3.427 9.743 1.00 0.00 N ATOM 1225 CA VAL A 78 -2.515 2.713 10.833 1.00 0.00 C ATOM 1226 C VAL A 78 -1.473 1.739 10.298 1.00 0.00 C ATOM 1227 O VAL A 78 -1.697 1.072 9.288 1.00 0.00 O ATOM 1228 CB VAL A 78 -3.530 1.941 11.684 1.00 0.00 C ATOM 1229 CG1 VAL A 78 -2.856 1.313 12.894 1.00 0.00 C ATOM 1230 CG2 VAL A 78 -4.676 2.846 12.113 1.00 0.00 C ATOM 0 H VAL A 78 -3.451 2.833 8.964 1.00 0.00 H new ATOM 0 HA VAL A 78 -2.028 3.462 11.458 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.942 1.139 11.072 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.596 0.771 13.482 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.081 0.623 12.561 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.407 2.095 13.507 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.383 2.276 12.716 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.284 3.676 12.701 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.183 3.235 11.230 1.00 0.00 H new ATOM 1240 N GLU A 79 -0.332 1.667 10.976 1.00 0.00 N ATOM 1241 CA GLU A 79 0.743 0.775 10.567 1.00 0.00 C ATOM 1242 C GLU A 79 0.280 -0.676 10.593 1.00 0.00 C ATOM 1243 O GLU A 79 0.062 -1.256 11.657 1.00 0.00 O ATOM 1244 CB GLU A 79 1.946 0.943 11.489 1.00 0.00 C ATOM 1245 CG GLU A 79 3.242 0.427 10.890 1.00 0.00 C ATOM 1246 CD GLU A 79 4.429 0.626 11.812 1.00 0.00 C ATOM 1247 OE1 GLU A 79 4.779 1.794 12.083 1.00 0.00 O ATOM 1248 OE2 GLU A 79 5.004 -0.385 12.265 1.00 0.00 O ATOM 0 H GLU A 79 -0.130 2.217 11.811 1.00 0.00 H new ATOM 0 HA GLU A 79 1.029 1.034 9.548 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.062 1.999 11.733 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.753 0.419 12.425 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.136 -0.634 10.663 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.430 0.938 9.946 1.00 0.00 H new ATOM 1255 N LEU A 80 0.135 -1.246 9.410 1.00 0.00 N ATOM 1256 CA LEU A 80 -0.284 -2.630 9.257 1.00 0.00 C ATOM 1257 C LEU A 80 0.917 -3.559 9.300 1.00 0.00 C ATOM 1258 O LEU A 80 0.815 -4.711 9.724 1.00 0.00 O ATOM 1259 CB LEU A 80 -1.010 -2.805 7.920 1.00 0.00 C ATOM 1260 CG LEU A 80 -2.535 -2.792 7.984 1.00 0.00 C ATOM 1261 CD1 LEU A 80 -3.027 -1.551 8.712 1.00 0.00 C ATOM 1262 CD2 LEU A 80 -3.118 -2.855 6.576 1.00 0.00 C ATOM 0 H LEU A 80 0.304 -0.763 8.527 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.955 -2.881 10.078 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.687 -2.011 7.246 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.692 -3.749 7.477 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.870 -3.668 8.540 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.116 -1.558 8.748 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.630 -1.543 9.727 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.688 -0.660 8.183 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.207 -2.845 6.632 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.777 -1.994 6.002 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.788 -3.771 6.086 1.00 0.00 H new ATOM 1274 N MET A 81 2.057 -3.046 8.857 1.00 0.00 N ATOM 1275 CA MET A 81 3.275 -3.829 8.815 1.00 0.00 C ATOM 1276 C MET A 81 4.524 -2.985 8.909 1.00 0.00 C ATOM 1277 O MET A 81 4.488 -1.756 8.843 1.00 0.00 O ATOM 1278 CB MET A 81 3.326 -4.610 7.520 1.00 0.00 C ATOM 1279 CG MET A 81 3.770 -6.035 7.699 1.00 0.00 C ATOM 1280 SD MET A 81 4.005 -6.875 6.129 1.00 0.00 S ATOM 1281 CE MET A 81 5.309 -5.889 5.403 1.00 0.00 C ATOM 0 H MET A 81 2.159 -2.088 8.522 1.00 0.00 H new ATOM 0 HA MET A 81 3.253 -4.490 9.681 1.00 0.00 H new ATOM 0 HB2 MET A 81 2.338 -4.600 7.059 1.00 0.00 H new ATOM 0 HB3 MET A 81 4.005 -4.110 6.829 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.703 -6.055 8.263 1.00 0.00 H new ATOM 0 HG3 MET A 81 3.029 -6.573 8.290 1.00 0.00 H new ATOM 0 HE1 MET A 81 5.564 -6.289 4.422 1.00 0.00 H new ATOM 0 HE2 MET A 81 4.970 -4.858 5.298 1.00 0.00 H new ATOM 0 HE3 MET A 81 6.188 -5.918 6.047 1.00 0.00 H new ATOM 1291 N ARG A 82 5.624 -3.703 9.053 1.00 0.00 N ATOM 1292 CA ARG A 82 6.952 -3.137 9.142 1.00 0.00 C ATOM 1293 C ARG A 82 7.923 -4.223 9.559 1.00 0.00 C ATOM 1294 O ARG A 82 8.154 -4.461 10.745 1.00 0.00 O ATOM 1295 CB ARG A 82 7.016 -1.977 10.112 1.00 0.00 C ATOM 1296 CG ARG A 82 8.370 -1.296 10.141 1.00 0.00 C ATOM 1297 CD ARG A 82 8.402 -0.173 11.163 1.00 0.00 C ATOM 1298 NE ARG A 82 7.857 1.075 10.647 1.00 0.00 N ATOM 1299 CZ ARG A 82 7.584 2.127 11.416 1.00 0.00 C ATOM 1300 NH1 ARG A 82 7.798 2.070 12.724 1.00 0.00 N ATOM 1301 NH2 ARG A 82 7.098 3.238 10.879 1.00 0.00 N ATOM 0 H ARG A 82 5.614 -4.721 9.112 1.00 0.00 H new ATOM 0 HA ARG A 82 7.222 -2.745 8.161 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.254 -1.245 9.844 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.775 -2.335 11.113 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.142 -2.028 10.378 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.600 -0.898 9.153 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.836 -0.474 12.045 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.431 -0.010 11.485 1.00 0.00 H new ATOM 0 HE ARG A 82 7.675 1.147 9.646 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.173 1.219 13.143 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.588 2.877 13.311 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.932 3.288 9.874 1.00 0.00 H new ATOM 0 HH22 ARG A 82 6.890 4.042 11.471 1.00 0.00 H new ATOM 1315 N ASP A 83 8.479 -4.869 8.561 1.00 0.00 N ATOM 1316 CA ASP A 83 9.408 -5.975 8.774 1.00 0.00 C ATOM 1317 C ASP A 83 10.705 -5.777 8.004 1.00 0.00 C ATOM 1318 O ASP A 83 10.712 -5.228 6.907 1.00 0.00 O ATOM 1319 CB ASP A 83 8.760 -7.291 8.344 1.00 0.00 C ATOM 1320 CG ASP A 83 9.582 -8.500 8.744 1.00 0.00 C ATOM 1321 OD1 ASP A 83 10.494 -8.879 7.977 1.00 0.00 O ATOM 1322 OD2 ASP A 83 9.314 -9.070 9.822 1.00 0.00 O ATOM 0 H ASP A 83 8.307 -4.651 7.580 1.00 0.00 H new ATOM 0 HA ASP A 83 9.645 -6.006 9.838 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.768 -7.366 8.789 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.625 -7.289 7.262 1.00 0.00 H new ATOM 1327 N TYR A 84 11.798 -6.250 8.582 1.00 0.00 N ATOM 1328 CA TYR A 84 13.107 -6.126 7.959 1.00 0.00 C ATOM 1329 C TYR A 84 13.180 -6.899 6.645 1.00 0.00 C ATOM 1330 O TYR A 84 12.636 -7.996 6.524 1.00 0.00 O ATOM 1331 CB TYR A 84 14.183 -6.617 8.919 1.00 0.00 C ATOM 1332 CG TYR A 84 14.432 -5.639 10.032 1.00 0.00 C ATOM 1333 CD1 TYR A 84 14.780 -4.334 9.739 1.00 0.00 C ATOM 1334 CD2 TYR A 84 14.299 -6.005 11.363 1.00 0.00 C ATOM 1335 CE1 TYR A 84 14.994 -3.415 10.733 1.00 0.00 C ATOM 1336 CE2 TYR A 84 14.515 -5.089 12.375 1.00 0.00 C ATOM 1337 CZ TYR A 84 14.863 -3.792 12.054 1.00 0.00 C ATOM 1338 OH TYR A 84 15.076 -2.872 13.055 1.00 0.00 O ATOM 0 H TYR A 84 11.805 -6.725 9.485 1.00 0.00 H new ATOM 0 HA TYR A 84 13.275 -5.073 7.732 1.00 0.00 H new ATOM 0 HB2 TYR A 84 13.883 -7.577 9.340 1.00 0.00 H new ATOM 0 HB3 TYR A 84 15.109 -6.785 8.370 1.00 0.00 H new ATOM 0 HD1 TYR A 84 14.885 -4.033 8.707 1.00 0.00 H new ATOM 0 HD2 TYR A 84 14.023 -7.019 11.612 1.00 0.00 H new ATOM 0 HE1 TYR A 84 15.264 -2.400 10.483 1.00 0.00 H new ATOM 0 HE2 TYR A 84 14.412 -5.385 13.408 1.00 0.00 H new ATOM 0 HH TYR A 84 14.942 -3.300 13.926 1.00 0.00 H new ATOM 1348 N SER A 85 13.861 -6.312 5.666 1.00 0.00 N ATOM 1349 CA SER A 85 14.020 -6.933 4.355 1.00 0.00 C ATOM 1350 C SER A 85 15.369 -6.575 3.750 1.00 0.00 C ATOM 1351 O SER A 85 16.108 -5.756 4.298 1.00 0.00 O ATOM 1352 CB SER A 85 12.886 -6.507 3.417 1.00 0.00 C ATOM 1353 OG SER A 85 11.642 -7.029 3.852 1.00 0.00 O ATOM 0 H SER A 85 14.314 -5.402 5.756 1.00 0.00 H new ATOM 0 HA SER A 85 13.977 -8.015 4.484 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.833 -5.419 3.376 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.096 -6.855 2.406 1.00 0.00 H new ATOM 0 HG SER A 85 10.917 -6.442 3.550 1.00 0.00 H new ATOM 1359 N ALA A 86 15.685 -7.194 2.620 1.00 0.00 N ATOM 1360 CA ALA A 86 16.960 -6.957 1.957 1.00 0.00 C ATOM 1361 C ALA A 86 16.816 -6.858 0.445 1.00 0.00 C ATOM 1362 O ALA A 86 17.812 -6.799 -0.278 1.00 0.00 O ATOM 1363 CB ALA A 86 17.914 -8.077 2.308 1.00 0.00 C ATOM 0 H ALA A 86 15.078 -7.862 2.145 1.00 0.00 H new ATOM 0 HA ALA A 86 17.347 -6.000 2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 86 18.871 -7.907 1.815 1.00 0.00 H new ATOM 0 HB2 ALA A 86 18.061 -8.105 3.388 1.00 0.00 H new ATOM 0 HB3 ALA A 86 17.498 -9.027 1.974 1.00 0.00 H new ATOM 1369 N TYR A 87 15.580 -6.840 -0.032 1.00 0.00 N ATOM 1370 CA TYR A 87 15.323 -6.767 -1.464 1.00 0.00 C ATOM 1371 C TYR A 87 14.054 -5.977 -1.771 1.00 0.00 C ATOM 1372 O TYR A 87 13.112 -5.958 -0.980 1.00 0.00 O ATOM 1373 CB TYR A 87 15.224 -8.180 -2.047 1.00 0.00 C ATOM 1374 CG TYR A 87 14.478 -9.157 -1.163 1.00 0.00 C ATOM 1375 CD1 TYR A 87 15.039 -9.624 0.022 1.00 0.00 C ATOM 1376 CD2 TYR A 87 13.216 -9.617 -1.513 1.00 0.00 C ATOM 1377 CE1 TYR A 87 14.363 -10.519 0.829 1.00 0.00 C ATOM 1378 CE2 TYR A 87 12.532 -10.512 -0.710 1.00 0.00 C ATOM 1379 CZ TYR A 87 13.111 -10.958 0.458 1.00 0.00 C ATOM 1380 OH TYR A 87 12.434 -11.850 1.260 1.00 0.00 O ATOM 0 H TYR A 87 14.742 -6.875 0.548 1.00 0.00 H new ATOM 0 HA TYR A 87 16.157 -6.240 -1.929 1.00 0.00 H new ATOM 0 HB2 TYR A 87 14.727 -8.129 -3.016 1.00 0.00 H new ATOM 0 HB3 TYR A 87 16.230 -8.561 -2.225 1.00 0.00 H new ATOM 0 HD1 TYR A 87 16.020 -9.281 0.316 1.00 0.00 H new ATOM 0 HD2 TYR A 87 12.760 -9.270 -2.428 1.00 0.00 H new ATOM 0 HE1 TYR A 87 14.813 -10.872 1.745 1.00 0.00 H new ATOM 0 HE2 TYR A 87 11.550 -10.859 -0.997 1.00 0.00 H new ATOM 0 HH TYR A 87 11.565 -12.058 0.857 1.00 0.00 H new ATOM 1390 N ARG A 88 14.044 -5.325 -2.932 1.00 0.00 N ATOM 1391 CA ARG A 88 12.900 -4.528 -3.366 1.00 0.00 C ATOM 1392 C ARG A 88 12.013 -5.320 -4.321 1.00 0.00 C ATOM 1393 O ARG A 88 12.460 -5.749 -5.385 1.00 0.00 O ATOM 1394 CB ARG A 88 13.382 -3.247 -4.054 1.00 0.00 C ATOM 1395 CG ARG A 88 13.654 -2.098 -3.098 1.00 0.00 C ATOM 1396 CD ARG A 88 14.094 -0.846 -3.842 1.00 0.00 C ATOM 1397 NE ARG A 88 15.340 -1.054 -4.575 1.00 0.00 N ATOM 1398 CZ ARG A 88 15.988 -0.086 -5.218 1.00 0.00 C ATOM 1399 NH1 ARG A 88 15.510 1.151 -5.221 1.00 0.00 N ATOM 1400 NH2 ARG A 88 17.116 -0.357 -5.861 1.00 0.00 N ATOM 0 H ARG A 88 14.821 -5.334 -3.592 1.00 0.00 H new ATOM 0 HA ARG A 88 12.315 -4.269 -2.484 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.293 -3.466 -4.611 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.632 -2.932 -4.780 1.00 0.00 H new ATOM 0 HG2 ARG A 88 12.755 -1.883 -2.521 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.426 -2.390 -2.387 1.00 0.00 H new ATOM 0 HD2 ARG A 88 13.311 -0.543 -4.537 1.00 0.00 H new ATOM 0 HD3 ARG A 88 14.223 -0.029 -3.132 1.00 0.00 H new ATOM 0 HE ARG A 88 15.736 -1.994 -4.595 1.00 0.00 H new ATOM 0 HH11 ARG A 88 14.642 1.364 -4.729 1.00 0.00 H new ATOM 0 HH12 ARG A 88 16.010 1.890 -5.715 1.00 0.00 H new ATOM 0 HH21 ARG A 88 17.487 -1.307 -5.863 1.00 0.00 H new ATOM 0 HH22 ARG A 88 17.613 0.385 -6.354 1.00 0.00 H new ATOM 1414 N ARG A 89 10.754 -5.511 -3.937 1.00 0.00 N ATOM 1415 CA ARG A 89 9.807 -6.250 -4.765 1.00 0.00 C ATOM 1416 C ARG A 89 9.314 -5.398 -5.929 1.00 0.00 C ATOM 1417 O ARG A 89 9.072 -5.908 -7.023 1.00 0.00 O ATOM 1418 CB ARG A 89 8.619 -6.728 -3.927 1.00 0.00 C ATOM 1419 CG ARG A 89 8.883 -8.027 -3.183 1.00 0.00 C ATOM 1420 CD ARG A 89 9.839 -7.829 -2.019 1.00 0.00 C ATOM 1421 NE ARG A 89 9.135 -7.486 -0.787 1.00 0.00 N ATOM 1422 CZ ARG A 89 9.658 -7.629 0.427 1.00 0.00 C ATOM 1423 NH1 ARG A 89 10.897 -8.084 0.571 1.00 0.00 N ATOM 1424 NH2 ARG A 89 8.943 -7.317 1.497 1.00 0.00 N ATOM 0 H ARG A 89 10.367 -5.165 -3.059 1.00 0.00 H new ATOM 0 HA ARG A 89 10.327 -7.118 -5.170 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.358 -5.953 -3.206 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.755 -6.861 -4.579 1.00 0.00 H new ATOM 0 HG2 ARG A 89 7.941 -8.432 -2.814 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.298 -8.762 -3.872 1.00 0.00 H new ATOM 0 HD2 ARG A 89 10.417 -8.740 -1.865 1.00 0.00 H new ATOM 0 HD3 ARG A 89 10.549 -7.039 -2.263 1.00 0.00 H new ATOM 0 HE ARG A 89 8.188 -7.115 -0.862 1.00 0.00 H new ATOM 0 HH11 ARG A 89 11.451 -8.325 -0.251 1.00 0.00 H new ATOM 0 HH12 ARG A 89 11.295 -8.193 1.504 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.991 -6.967 1.390 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.344 -7.427 2.428 1.00 0.00 H new ATOM 1438 N PHE A 90 9.165 -4.099 -5.688 1.00 0.00 N ATOM 1439 CA PHE A 90 8.701 -3.179 -6.721 1.00 0.00 C ATOM 1440 C PHE A 90 9.856 -2.324 -7.236 1.00 0.00 C ATOM 1441 O PHE A 90 9.735 -1.106 -7.358 1.00 0.00 O ATOM 1442 CB PHE A 90 7.584 -2.284 -6.177 1.00 0.00 C ATOM 1443 CG PHE A 90 6.509 -3.040 -5.447 1.00 0.00 C ATOM 1444 CD1 PHE A 90 6.647 -3.337 -4.100 1.00 0.00 C ATOM 1445 CD2 PHE A 90 5.363 -3.455 -6.106 1.00 0.00 C ATOM 1446 CE1 PHE A 90 5.662 -4.034 -3.425 1.00 0.00 C ATOM 1447 CE2 PHE A 90 4.376 -4.152 -5.436 1.00 0.00 C ATOM 1448 CZ PHE A 90 4.526 -4.442 -4.095 1.00 0.00 C ATOM 0 H PHE A 90 9.359 -3.660 -4.788 1.00 0.00 H new ATOM 0 HA PHE A 90 8.307 -3.766 -7.550 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.018 -1.545 -5.504 1.00 0.00 H new ATOM 0 HB3 PHE A 90 7.133 -1.736 -7.005 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.534 -3.020 -3.572 1.00 0.00 H new ATOM 0 HD2 PHE A 90 5.240 -3.231 -7.155 1.00 0.00 H new ATOM 0 HE1 PHE A 90 5.781 -4.259 -2.375 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.488 -4.470 -5.961 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.756 -4.987 -3.570 1.00 0.00 H new ATOM 1458 N HIS A 91 10.975 -2.978 -7.538 1.00 0.00 N ATOM 1459 CA HIS A 91 12.164 -2.291 -8.036 1.00 0.00 C ATOM 1460 C HIS A 91 11.856 -1.485 -9.296 1.00 0.00 C ATOM 1461 O HIS A 91 12.616 -0.592 -9.673 1.00 0.00 O ATOM 1462 CB HIS A 91 13.273 -3.309 -8.323 1.00 0.00 C ATOM 1463 CG HIS A 91 14.553 -2.693 -8.799 1.00 0.00 C ATOM 1464 ND1 HIS A 91 14.894 -2.599 -10.132 1.00 0.00 N ATOM 1465 CD2 HIS A 91 15.583 -2.142 -8.111 1.00 0.00 C ATOM 1466 CE1 HIS A 91 16.076 -2.018 -10.244 1.00 0.00 C ATOM 1467 NE2 HIS A 91 16.513 -1.730 -9.033 1.00 0.00 N ATOM 0 H HIS A 91 11.083 -3.988 -7.446 1.00 0.00 H new ATOM 0 HA HIS A 91 12.499 -1.595 -7.266 1.00 0.00 H new ATOM 0 HB2 HIS A 91 13.471 -3.881 -7.417 1.00 0.00 H new ATOM 0 HB3 HIS A 91 12.919 -4.015 -9.074 1.00 0.00 H new ATOM 0 HD2 HIS A 91 15.658 -2.045 -7.038 1.00 0.00 H new ATOM 0 HE1 HIS A 91 16.595 -1.814 -11.169 1.00 0.00 H new ATOM 0 HE2 HIS A 91 17.400 -1.274 -8.816 1.00 0.00 H new ATOM 1476 N GLY A 92 10.738 -1.800 -9.941 1.00 0.00 N ATOM 1477 CA GLY A 92 10.362 -1.099 -11.154 1.00 0.00 C ATOM 1478 C GLY A 92 9.379 0.030 -10.908 1.00 0.00 C ATOM 1479 O GLY A 92 9.177 0.880 -11.775 1.00 0.00 O ATOM 0 H GLY A 92 10.086 -2.527 -9.646 1.00 0.00 H new ATOM 0 HA2 GLY A 92 11.258 -0.696 -11.626 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.923 -1.809 -11.856 1.00 0.00 H new ATOM 1483 N THR A 93 8.765 0.044 -9.728 1.00 0.00 N ATOM 1484 CA THR A 93 7.796 1.080 -9.390 1.00 0.00 C ATOM 1485 C THR A 93 7.939 1.540 -7.940 1.00 0.00 C ATOM 1486 O THR A 93 7.834 0.740 -7.011 1.00 0.00 O ATOM 1487 CB THR A 93 6.357 0.581 -9.616 1.00 0.00 C ATOM 1488 OG1 THR A 93 6.254 -0.050 -10.897 1.00 0.00 O ATOM 1489 CG2 THR A 93 5.365 1.733 -9.535 1.00 0.00 C ATOM 0 H THR A 93 8.921 -0.647 -8.994 1.00 0.00 H new ATOM 0 HA THR A 93 7.999 1.925 -10.047 1.00 0.00 H new ATOM 0 HB THR A 93 6.119 -0.140 -8.834 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.336 -0.366 -11.033 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.355 1.356 -9.698 1.00 0.00 H new ATOM 0 HG22 THR A 93 5.425 2.196 -8.550 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.604 2.473 -10.299 1.00 0.00 H new ATOM 1497 N GLY A 94 8.176 2.838 -7.758 1.00 0.00 N ATOM 1498 CA GLY A 94 8.318 3.394 -6.422 1.00 0.00 C ATOM 1499 C GLY A 94 6.995 3.434 -5.677 1.00 0.00 C ATOM 1500 O GLY A 94 6.956 3.329 -4.451 1.00 0.00 O ATOM 0 H GLY A 94 8.272 3.516 -8.514 1.00 0.00 H new ATOM 0 HA2 GLY A 94 9.034 2.799 -5.856 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.726 4.403 -6.491 1.00 0.00 H new ATOM 1504 N MET A 95 5.911 3.590 -6.431 1.00 0.00 N ATOM 1505 CA MET A 95 4.564 3.643 -5.869 1.00 0.00 C ATOM 1506 C MET A 95 3.533 3.603 -6.993 1.00 0.00 C ATOM 1507 O MET A 95 3.692 4.277 -8.010 1.00 0.00 O ATOM 1508 CB MET A 95 4.381 4.910 -5.029 1.00 0.00 C ATOM 1509 CG MET A 95 2.986 5.059 -4.444 1.00 0.00 C ATOM 1510 SD MET A 95 2.466 3.616 -3.498 1.00 0.00 S ATOM 1511 CE MET A 95 3.525 3.745 -2.059 1.00 0.00 C ATOM 0 H MET A 95 5.940 3.683 -7.446 1.00 0.00 H new ATOM 0 HA MET A 95 4.420 2.778 -5.221 1.00 0.00 H new ATOM 0 HB2 MET A 95 5.107 4.905 -4.216 1.00 0.00 H new ATOM 0 HB3 MET A 95 4.601 5.780 -5.647 1.00 0.00 H new ATOM 0 HG2 MET A 95 2.959 5.938 -3.800 1.00 0.00 H new ATOM 0 HG3 MET A 95 2.275 5.233 -5.252 1.00 0.00 H new ATOM 0 HE1 MET A 95 3.118 3.135 -1.252 1.00 0.00 H new ATOM 0 HE2 MET A 95 4.525 3.393 -2.311 1.00 0.00 H new ATOM 0 HE3 MET A 95 3.576 4.785 -1.737 1.00 0.00 H new ATOM 1521 N ARG A 96 2.477 2.812 -6.813 1.00 0.00 N ATOM 1522 CA ARG A 96 1.446 2.691 -7.840 1.00 0.00 C ATOM 1523 C ARG A 96 0.098 2.303 -7.243 1.00 0.00 C ATOM 1524 O ARG A 96 -0.121 1.149 -6.897 1.00 0.00 O ATOM 1525 CB ARG A 96 1.874 1.652 -8.870 1.00 0.00 C ATOM 1526 CG ARG A 96 1.370 1.931 -10.274 1.00 0.00 C ATOM 1527 CD ARG A 96 -0.063 1.459 -10.455 1.00 0.00 C ATOM 1528 NE ARG A 96 -0.592 1.803 -11.772 1.00 0.00 N ATOM 1529 CZ ARG A 96 -1.723 1.304 -12.266 1.00 0.00 C ATOM 1530 NH1 ARG A 96 -2.436 0.440 -11.556 1.00 0.00 N ATOM 1531 NH2 ARG A 96 -2.142 1.670 -13.471 1.00 0.00 N ATOM 0 H ARG A 96 2.314 2.252 -5.976 1.00 0.00 H new ATOM 0 HA ARG A 96 1.329 3.664 -8.318 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.963 1.601 -8.889 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.515 0.673 -8.554 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.431 3.000 -10.478 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.013 1.431 -10.999 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -0.109 0.379 -10.317 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.691 1.905 -9.684 1.00 0.00 H new ATOM 0 HE ARG A 96 -0.066 2.462 -12.345 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -2.118 0.156 -10.629 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -3.302 0.059 -11.937 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -1.597 2.335 -14.020 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.009 1.287 -13.848 1.00 0.00 H new ATOM 1545 N ILE A 97 -0.816 3.263 -7.162 1.00 0.00 N ATOM 1546 CA ILE A 97 -2.139 3.017 -6.610 1.00 0.00 C ATOM 1547 C ILE A 97 -2.886 1.953 -7.406 1.00 0.00 C ATOM 1548 O ILE A 97 -2.552 1.666 -8.555 1.00 0.00 O ATOM 1549 CB ILE A 97 -2.962 4.320 -6.578 1.00 0.00 C ATOM 1550 CG1 ILE A 97 -4.047 4.255 -5.495 1.00 0.00 C ATOM 1551 CG2 ILE A 97 -3.563 4.609 -7.944 1.00 0.00 C ATOM 1552 CD1 ILE A 97 -5.409 3.808 -5.983 1.00 0.00 C ATOM 0 H ILE A 97 -0.662 4.222 -7.473 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.007 2.651 -5.592 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.292 5.142 -6.326 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.717 3.574 -4.711 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -4.146 5.241 -5.040 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.140 5.533 -7.900 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.764 4.715 -8.678 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.217 3.787 -8.235 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.108 3.793 -5.147 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.768 4.501 -6.744 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.332 2.808 -6.409 1.00 0.00 H new ATOM 1564 N LEU A 98 -3.904 1.376 -6.783 1.00 0.00 N ATOM 1565 CA LEU A 98 -4.713 0.357 -7.417 1.00 0.00 C ATOM 1566 C LEU A 98 -6.190 0.552 -7.113 1.00 0.00 C ATOM 1567 O LEU A 98 -6.691 0.070 -6.098 1.00 0.00 O ATOM 1568 CB LEU A 98 -4.291 -1.041 -6.966 1.00 0.00 C ATOM 1569 CG LEU A 98 -4.601 -2.119 -7.987 1.00 0.00 C ATOM 1570 CD1 LEU A 98 -3.751 -1.895 -9.219 1.00 0.00 C ATOM 1571 CD2 LEU A 98 -4.392 -3.509 -7.412 1.00 0.00 C ATOM 0 H LEU A 98 -4.187 1.603 -5.830 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.556 0.452 -8.491 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.220 -1.041 -6.761 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.795 -1.281 -6.030 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.653 -2.053 -8.264 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.969 -2.667 -9.957 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.974 -0.915 -9.642 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.697 -1.941 -8.947 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.624 -4.256 -8.172 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.354 -3.621 -7.098 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.048 -3.650 -6.553 1.00 0.00 H new ATOM 1583 N ASP A 99 -6.880 1.272 -7.987 1.00 0.00 N ATOM 1584 CA ASP A 99 -8.311 1.492 -7.821 1.00 0.00 C ATOM 1585 C ASP A 99 -9.031 0.161 -7.900 1.00 0.00 C ATOM 1586 O ASP A 99 -9.452 -0.261 -8.975 1.00 0.00 O ATOM 1587 CB ASP A 99 -8.855 2.420 -8.905 1.00 0.00 C ATOM 1588 CG ASP A 99 -10.174 3.057 -8.515 1.00 0.00 C ATOM 1589 OD1 ASP A 99 -10.274 3.563 -7.378 1.00 0.00 O ATOM 1590 OD2 ASP A 99 -11.107 3.049 -9.344 1.00 0.00 O ATOM 0 H ASP A 99 -6.475 1.712 -8.814 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.478 1.959 -6.850 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.124 3.202 -9.110 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.986 1.857 -9.829 1.00 0.00 H new ATOM 1595 N LEU A 100 -9.154 -0.506 -6.764 1.00 0.00 N ATOM 1596 CA LEU A 100 -9.812 -1.796 -6.717 1.00 0.00 C ATOM 1597 C LEU A 100 -11.231 -1.706 -7.257 1.00 0.00 C ATOM 1598 O LEU A 100 -11.812 -2.710 -7.668 1.00 0.00 O ATOM 1599 CB LEU A 100 -9.820 -2.345 -5.288 1.00 0.00 C ATOM 1600 CG LEU A 100 -8.441 -2.506 -4.639 1.00 0.00 C ATOM 1601 CD1 LEU A 100 -8.508 -3.483 -3.468 1.00 0.00 C ATOM 1602 CD2 LEU A 100 -7.419 -2.967 -5.670 1.00 0.00 C ATOM 0 H LEU A 100 -8.806 -0.174 -5.864 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.250 -2.482 -7.351 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.421 -1.682 -4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.317 -3.315 -5.292 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.125 -1.537 -4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.519 -3.583 -3.021 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.208 -3.108 -2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.845 -4.456 -3.825 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.445 -3.076 -5.193 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.729 -3.925 -6.086 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.351 -2.229 -6.470 1.00 0.00 H new ATOM 1614 N ARG A 101 -11.787 -0.500 -7.247 1.00 0.00 N ATOM 1615 CA ARG A 101 -13.130 -0.282 -7.761 1.00 0.00 C ATOM 1616 C ARG A 101 -13.192 -0.712 -9.221 1.00 0.00 C ATOM 1617 O ARG A 101 -14.270 -0.889 -9.788 1.00 0.00 O ATOM 1618 CB ARG A 101 -13.519 1.191 -7.631 1.00 0.00 C ATOM 1619 CG ARG A 101 -13.571 1.684 -6.196 1.00 0.00 C ATOM 1620 CD ARG A 101 -14.058 3.122 -6.122 1.00 0.00 C ATOM 1621 NE ARG A 101 -15.436 3.258 -6.588 1.00 0.00 N ATOM 1622 CZ ARG A 101 -16.123 4.396 -6.536 1.00 0.00 C ATOM 1623 NH1 ARG A 101 -15.563 5.493 -6.044 1.00 0.00 N ATOM 1624 NH2 ARG A 101 -17.373 4.439 -6.979 1.00 0.00 N ATOM 0 H ARG A 101 -11.329 0.338 -6.889 1.00 0.00 H new ATOM 0 HA ARG A 101 -13.834 -0.877 -7.179 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -12.805 1.797 -8.188 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -14.494 1.342 -8.093 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -14.233 1.043 -5.613 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -12.580 1.610 -5.748 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -13.986 3.477 -5.094 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -13.407 3.756 -6.724 1.00 0.00 H new ATOM 0 HE ARG A 101 -15.897 2.434 -6.975 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -14.602 5.466 -5.704 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -16.093 6.363 -6.006 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -17.808 3.599 -7.360 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -17.899 5.312 -6.939 1.00 0.00 H new ATOM 1638 N LEU A 102 -12.014 -0.875 -9.818 1.00 0.00 N ATOM 1639 CA LEU A 102 -11.898 -1.286 -11.206 1.00 0.00 C ATOM 1640 C LEU A 102 -11.767 -2.802 -11.320 1.00 0.00 C ATOM 1641 O LEU A 102 -12.408 -3.427 -12.165 1.00 0.00 O ATOM 1642 CB LEU A 102 -10.681 -0.619 -11.842 1.00 0.00 C ATOM 1643 CG LEU A 102 -10.617 0.903 -11.692 1.00 0.00 C ATOM 1644 CD1 LEU A 102 -9.292 1.426 -12.214 1.00 0.00 C ATOM 1645 CD2 LEU A 102 -11.778 1.565 -12.420 1.00 0.00 C ATOM 0 H LEU A 102 -11.119 -0.726 -9.352 1.00 0.00 H new ATOM 0 HA LEU A 102 -12.803 -0.978 -11.729 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.781 -1.049 -11.403 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.666 -0.864 -12.904 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.696 1.150 -10.633 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.259 2.510 -12.102 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.475 0.977 -11.648 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.188 1.167 -13.268 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.713 2.646 -12.300 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -11.734 1.314 -13.480 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -12.720 1.210 -12.002 1.00 0.00 H new ATOM 1657 N PHE A 103 -10.930 -3.390 -10.465 1.00 0.00 N ATOM 1658 CA PHE A 103 -10.708 -4.833 -10.492 1.00 0.00 C ATOM 1659 C PHE A 103 -11.437 -5.532 -9.350 1.00 0.00 C ATOM 1660 O PHE A 103 -12.453 -5.047 -8.852 1.00 0.00 O ATOM 1661 CB PHE A 103 -9.209 -5.135 -10.410 1.00 0.00 C ATOM 1662 CG PHE A 103 -8.351 -3.960 -10.755 1.00 0.00 C ATOM 1663 CD1 PHE A 103 -7.953 -3.084 -9.766 1.00 0.00 C ATOM 1664 CD2 PHE A 103 -7.950 -3.728 -12.059 1.00 0.00 C ATOM 1665 CE1 PHE A 103 -7.170 -1.996 -10.065 1.00 0.00 C ATOM 1666 CE2 PHE A 103 -7.162 -2.637 -12.368 1.00 0.00 C ATOM 1667 CZ PHE A 103 -6.770 -1.768 -11.367 1.00 0.00 C ATOM 0 H PHE A 103 -10.399 -2.892 -9.751 1.00 0.00 H new ATOM 0 HA PHE A 103 -11.107 -5.214 -11.432 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -8.967 -5.469 -9.401 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -8.974 -5.959 -11.084 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -8.261 -3.256 -8.745 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -8.256 -4.406 -12.842 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -6.867 -1.318 -9.281 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.853 -2.463 -13.388 1.00 0.00 H new ATOM 0 HZ PHE A 103 -6.153 -0.913 -11.602 1.00 0.00 H new ATOM 1677 N GLU A 104 -10.902 -6.678 -8.946 1.00 0.00 N ATOM 1678 CA GLU A 104 -11.473 -7.470 -7.871 1.00 0.00 C ATOM 1679 C GLU A 104 -10.364 -8.058 -7.019 1.00 0.00 C ATOM 1680 O GLU A 104 -9.247 -7.548 -7.002 1.00 0.00 O ATOM 1681 CB GLU A 104 -12.350 -8.590 -8.430 1.00 0.00 C ATOM 1682 CG GLU A 104 -12.574 -8.513 -9.932 1.00 0.00 C ATOM 1683 CD GLU A 104 -13.548 -9.563 -10.433 1.00 0.00 C ATOM 1684 OE1 GLU A 104 -14.771 -9.312 -10.381 1.00 0.00 O ATOM 1685 OE2 GLU A 104 -13.087 -10.635 -10.879 1.00 0.00 O ATOM 0 H GLU A 104 -10.060 -7.082 -9.356 1.00 0.00 H new ATOM 0 HA GLU A 104 -12.095 -6.820 -7.256 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -11.892 -9.549 -8.191 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.317 -8.565 -7.928 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.950 -7.523 -10.189 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.620 -8.635 -10.444 1.00 0.00 H new ATOM 1692 N THR A 105 -10.676 -9.123 -6.303 1.00 0.00 N ATOM 1693 CA THR A 105 -9.687 -9.779 -5.464 1.00 0.00 C ATOM 1694 C THR A 105 -8.543 -10.331 -6.309 1.00 0.00 C ATOM 1695 O THR A 105 -7.384 -9.964 -6.122 1.00 0.00 O ATOM 1696 CB THR A 105 -10.312 -10.930 -4.654 1.00 0.00 C ATOM 1697 OG1 THR A 105 -11.218 -10.410 -3.675 1.00 0.00 O ATOM 1698 CG2 THR A 105 -9.235 -11.756 -3.973 1.00 0.00 C ATOM 0 H THR A 105 -11.602 -9.551 -6.285 1.00 0.00 H new ATOM 0 HA THR A 105 -9.303 -9.028 -4.773 1.00 0.00 H new ATOM 0 HB THR A 105 -10.860 -11.574 -5.343 1.00 0.00 H new ATOM 0 HG1 THR A 105 -11.611 -11.150 -3.167 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.699 -12.563 -3.407 1.00 0.00 H new ATOM 0 HG22 THR A 105 -8.569 -12.177 -4.726 1.00 0.00 H new ATOM 0 HG23 THR A 105 -8.662 -11.121 -3.297 1.00 0.00 H new ATOM 1706 N ASP A 106 -8.881 -11.213 -7.245 1.00 0.00 N ATOM 1707 CA ASP A 106 -7.886 -11.814 -8.122 1.00 0.00 C ATOM 1708 C ASP A 106 -7.483 -10.842 -9.221 1.00 0.00 C ATOM 1709 O ASP A 106 -6.392 -10.939 -9.782 1.00 0.00 O ATOM 1710 CB ASP A 106 -8.431 -13.103 -8.738 1.00 0.00 C ATOM 1711 CG ASP A 106 -7.464 -13.731 -9.724 1.00 0.00 C ATOM 1712 OD1 ASP A 106 -6.562 -14.472 -9.281 1.00 0.00 O ATOM 1713 OD2 ASP A 106 -7.610 -13.479 -10.939 1.00 0.00 O ATOM 0 H ASP A 106 -9.837 -11.526 -7.414 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.004 -12.051 -7.527 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.650 -13.817 -7.944 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.373 -12.890 -9.244 1.00 0.00 H new ATOM 1718 N GLY A 107 -8.373 -9.904 -9.520 1.00 0.00 N ATOM 1719 CA GLY A 107 -8.098 -8.917 -10.550 1.00 0.00 C ATOM 1720 C GLY A 107 -7.058 -7.908 -10.108 1.00 0.00 C ATOM 1721 O GLY A 107 -6.123 -7.600 -10.848 1.00 0.00 O ATOM 0 H GLY A 107 -9.282 -9.808 -9.068 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.753 -9.422 -11.452 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.020 -8.397 -10.809 1.00 0.00 H new ATOM 1725 N ALA A 108 -7.224 -7.392 -8.896 1.00 0.00 N ATOM 1726 CA ALA A 108 -6.297 -6.419 -8.341 1.00 0.00 C ATOM 1727 C ALA A 108 -4.959 -7.070 -8.032 1.00 0.00 C ATOM 1728 O ALA A 108 -3.910 -6.558 -8.409 1.00 0.00 O ATOM 1729 CB ALA A 108 -6.884 -5.792 -7.088 1.00 0.00 C ATOM 0 H ALA A 108 -7.998 -7.635 -8.277 1.00 0.00 H new ATOM 0 HA ALA A 108 -6.133 -5.635 -9.081 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -6.181 -5.065 -6.681 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -7.820 -5.292 -7.336 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.073 -6.568 -6.347 1.00 0.00 H new ATOM 1735 N LEU A 109 -4.999 -8.201 -7.338 1.00 0.00 N ATOM 1736 CA LEU A 109 -3.784 -8.923 -6.996 1.00 0.00 C ATOM 1737 C LEU A 109 -2.945 -9.160 -8.249 1.00 0.00 C ATOM 1738 O LEU A 109 -1.718 -9.021 -8.228 1.00 0.00 O ATOM 1739 CB LEU A 109 -4.146 -10.246 -6.330 1.00 0.00 C ATOM 1740 CG LEU A 109 -3.263 -10.675 -5.150 1.00 0.00 C ATOM 1741 CD1 LEU A 109 -3.015 -9.515 -4.197 1.00 0.00 C ATOM 1742 CD2 LEU A 109 -3.918 -11.826 -4.405 1.00 0.00 C ATOM 0 H LEU A 109 -5.859 -8.636 -7.003 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.194 -8.329 -6.298 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.177 -10.183 -5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.112 -11.031 -7.086 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.301 -10.999 -5.547 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.387 -9.850 -3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.514 -8.707 -4.730 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.967 -9.156 -3.806 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.286 -12.125 -3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.891 -11.509 -4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.048 -12.670 -5.082 1.00 0.00 H new ATOM 1754 N GLU A 110 -3.618 -9.500 -9.349 1.00 0.00 N ATOM 1755 CA GLU A 110 -2.936 -9.734 -10.613 1.00 0.00 C ATOM 1756 C GLU A 110 -2.272 -8.448 -11.089 1.00 0.00 C ATOM 1757 O GLU A 110 -1.166 -8.478 -11.622 1.00 0.00 O ATOM 1758 CB GLU A 110 -3.914 -10.272 -11.668 1.00 0.00 C ATOM 1759 CG GLU A 110 -4.281 -9.270 -12.750 1.00 0.00 C ATOM 1760 CD GLU A 110 -5.351 -9.791 -13.690 1.00 0.00 C ATOM 1761 OE1 GLU A 110 -6.548 -9.600 -13.392 1.00 0.00 O ATOM 1762 OE2 GLU A 110 -4.990 -10.390 -14.725 1.00 0.00 O ATOM 0 H GLU A 110 -4.630 -9.618 -9.386 1.00 0.00 H new ATOM 0 HA GLU A 110 -2.164 -10.489 -10.462 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.475 -11.152 -12.138 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.826 -10.599 -11.168 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.630 -8.349 -12.283 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -3.389 -9.018 -13.324 1.00 0.00 H new ATOM 1769 N GLU A 111 -2.958 -7.320 -10.890 1.00 0.00 N ATOM 1770 CA GLU A 111 -2.418 -6.019 -11.279 1.00 0.00 C ATOM 1771 C GLU A 111 -1.010 -5.861 -10.730 1.00 0.00 C ATOM 1772 O GLU A 111 -0.054 -5.640 -11.477 1.00 0.00 O ATOM 1773 CB GLU A 111 -3.299 -4.891 -10.748 1.00 0.00 C ATOM 1774 CG GLU A 111 -4.588 -4.700 -11.522 1.00 0.00 C ATOM 1775 CD GLU A 111 -4.350 -4.288 -12.962 1.00 0.00 C ATOM 1776 OE1 GLU A 111 -4.214 -3.074 -13.217 1.00 0.00 O ATOM 1777 OE2 GLU A 111 -4.300 -5.181 -13.833 1.00 0.00 O ATOM 0 H GLU A 111 -3.884 -7.283 -10.464 1.00 0.00 H new ATOM 0 HA GLU A 111 -2.396 -5.966 -12.367 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.540 -5.093 -9.704 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -2.732 -3.960 -10.770 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.159 -5.628 -11.504 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.195 -3.942 -11.027 1.00 0.00 H new ATOM 1784 N ILE A 112 -0.901 -5.979 -9.412 1.00 0.00 N ATOM 1785 CA ILE A 112 0.384 -5.876 -8.740 1.00 0.00 C ATOM 1786 C ILE A 112 1.428 -6.712 -9.464 1.00 0.00 C ATOM 1787 O ILE A 112 2.431 -6.188 -9.939 1.00 0.00 O ATOM 1788 CB ILE A 112 0.289 -6.350 -7.273 1.00 0.00 C ATOM 1789 CG1 ILE A 112 -0.652 -5.447 -6.485 1.00 0.00 C ATOM 1790 CG2 ILE A 112 1.666 -6.382 -6.623 1.00 0.00 C ATOM 1791 CD1 ILE A 112 -1.977 -6.091 -6.159 1.00 0.00 C ATOM 0 H ILE A 112 -1.690 -6.146 -8.788 1.00 0.00 H new ATOM 0 HA ILE A 112 0.677 -4.826 -8.753 1.00 0.00 H new ATOM 0 HB ILE A 112 -0.112 -7.363 -7.266 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.164 -5.150 -5.557 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -0.831 -4.536 -7.057 1.00 0.00 H new ATOM 0 HG21 ILE A 112 1.573 -6.719 -5.591 1.00 0.00 H new ATOM 0 HG22 ILE A 112 2.312 -7.068 -7.172 1.00 0.00 H new ATOM 0 HG23 ILE A 112 2.100 -5.382 -6.641 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -2.594 -5.390 -5.598 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.486 -6.363 -7.083 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -1.809 -6.986 -5.560 1.00 0.00 H new ATOM 1803 N LEU A 113 1.164 -8.008 -9.572 1.00 0.00 N ATOM 1804 CA LEU A 113 2.070 -8.928 -10.237 1.00 0.00 C ATOM 1805 C LEU A 113 2.452 -8.427 -11.628 1.00 0.00 C ATOM 1806 O LEU A 113 3.609 -8.522 -12.040 1.00 0.00 O ATOM 1807 CB LEU A 113 1.399 -10.294 -10.347 1.00 0.00 C ATOM 1808 CG LEU A 113 1.255 -11.103 -9.049 1.00 0.00 C ATOM 1809 CD1 LEU A 113 1.697 -10.310 -7.823 1.00 0.00 C ATOM 1810 CD2 LEU A 113 -0.179 -11.564 -8.906 1.00 0.00 C ATOM 0 H LEU A 113 0.320 -8.446 -9.203 1.00 0.00 H new ATOM 0 HA LEU A 113 2.984 -9.002 -9.647 1.00 0.00 H new ATOM 0 HB2 LEU A 113 0.405 -10.151 -10.770 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.965 -10.894 -11.060 1.00 0.00 H new ATOM 0 HG LEU A 113 1.914 -11.969 -9.111 1.00 0.00 H new ATOM 0 HD11 LEU A 113 1.577 -10.923 -6.930 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.744 -10.027 -7.931 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.086 -9.412 -7.731 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.286 -12.139 -7.986 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.838 -10.697 -8.871 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -0.447 -12.189 -9.758 1.00 0.00 H new ATOM 2019 N ARG A 127 4.694 -11.613 4.506 1.00 0.00 N ATOM 2020 CA ARG A 127 4.022 -10.725 5.453 1.00 0.00 C ATOM 2021 C ARG A 127 3.272 -9.601 4.744 1.00 0.00 C ATOM 2022 O ARG A 127 2.141 -9.281 5.105 1.00 0.00 O ATOM 2023 CB ARG A 127 5.035 -10.136 6.437 1.00 0.00 C ATOM 2024 CG ARG A 127 5.131 -10.905 7.744 1.00 0.00 C ATOM 2025 CD ARG A 127 3.860 -10.762 8.568 1.00 0.00 C ATOM 2026 NE ARG A 127 3.663 -9.394 9.039 1.00 0.00 N ATOM 2027 CZ ARG A 127 2.658 -9.022 9.827 1.00 0.00 C ATOM 2028 NH1 ARG A 127 1.759 -9.912 10.228 1.00 0.00 N ATOM 2029 NH2 ARG A 127 2.550 -7.758 10.215 1.00 0.00 N ATOM 0 HA ARG A 127 3.290 -11.322 5.998 1.00 0.00 H new ATOM 0 HB2 ARG A 127 6.017 -10.114 5.965 1.00 0.00 H new ATOM 0 HB3 ARG A 127 4.762 -9.103 6.652 1.00 0.00 H new ATOM 0 HG2 ARG A 127 5.314 -11.959 7.535 1.00 0.00 H new ATOM 0 HG3 ARG A 127 5.982 -10.542 8.320 1.00 0.00 H new ATOM 0 HD2 ARG A 127 3.003 -11.065 7.967 1.00 0.00 H new ATOM 0 HD3 ARG A 127 3.905 -11.437 9.423 1.00 0.00 H new ATOM 0 HE ARG A 127 4.334 -8.683 8.747 1.00 0.00 H new ATOM 0 HH11 ARG A 127 1.837 -10.885 9.932 1.00 0.00 H new ATOM 0 HH12 ARG A 127 0.990 -9.623 10.832 1.00 0.00 H new ATOM 0 HH21 ARG A 127 3.238 -7.070 9.909 1.00 0.00 H new ATOM 0 HH22 ARG A 127 1.779 -7.474 10.819 1.00 0.00 H new ATOM 2043 N MET A 128 3.907 -8.996 3.744 1.00 0.00 N ATOM 2044 CA MET A 128 3.279 -7.916 2.994 1.00 0.00 C ATOM 2045 C MET A 128 2.033 -8.425 2.289 1.00 0.00 C ATOM 2046 O MET A 128 0.994 -7.768 2.281 1.00 0.00 O ATOM 2047 CB MET A 128 4.273 -7.322 1.981 1.00 0.00 C ATOM 2048 CG MET A 128 3.686 -7.032 0.600 1.00 0.00 C ATOM 2049 SD MET A 128 4.662 -7.749 -0.733 1.00 0.00 S ATOM 2050 CE MET A 128 3.383 -8.011 -1.956 1.00 0.00 C ATOM 0 H MET A 128 4.850 -9.234 3.437 1.00 0.00 H new ATOM 0 HA MET A 128 2.986 -7.128 3.688 1.00 0.00 H new ATOM 0 HB2 MET A 128 4.677 -6.396 2.390 1.00 0.00 H new ATOM 0 HB3 MET A 128 5.109 -8.012 1.867 1.00 0.00 H new ATOM 0 HG2 MET A 128 2.670 -7.423 0.552 1.00 0.00 H new ATOM 0 HG3 MET A 128 3.620 -5.953 0.457 1.00 0.00 H new ATOM 0 HE1 MET A 128 3.839 -8.301 -2.903 1.00 0.00 H new ATOM 0 HE2 MET A 128 2.713 -8.802 -1.618 1.00 0.00 H new ATOM 0 HE3 MET A 128 2.817 -7.090 -2.093 1.00 0.00 H new ATOM 2060 N PHE A 129 2.157 -9.601 1.697 1.00 0.00 N ATOM 2061 CA PHE A 129 1.060 -10.217 0.970 1.00 0.00 C ATOM 2062 C PHE A 129 -0.101 -10.555 1.899 1.00 0.00 C ATOM 2063 O PHE A 129 -1.248 -10.638 1.463 1.00 0.00 O ATOM 2064 CB PHE A 129 1.555 -11.469 0.247 1.00 0.00 C ATOM 2065 CG PHE A 129 0.535 -12.088 -0.663 1.00 0.00 C ATOM 2066 CD1 PHE A 129 0.107 -11.417 -1.797 1.00 0.00 C ATOM 2067 CD2 PHE A 129 0.007 -13.338 -0.387 1.00 0.00 C ATOM 2068 CE1 PHE A 129 -0.828 -11.983 -2.640 1.00 0.00 C ATOM 2069 CE2 PHE A 129 -0.931 -13.909 -1.227 1.00 0.00 C ATOM 2070 CZ PHE A 129 -1.348 -13.231 -2.355 1.00 0.00 C ATOM 0 H PHE A 129 3.015 -10.153 1.706 1.00 0.00 H new ATOM 0 HA PHE A 129 0.692 -9.503 0.233 1.00 0.00 H new ATOM 0 HB2 PHE A 129 2.440 -11.214 -0.335 1.00 0.00 H new ATOM 0 HB3 PHE A 129 1.862 -12.207 0.988 1.00 0.00 H new ATOM 0 HD1 PHE A 129 0.509 -10.441 -2.024 1.00 0.00 H new ATOM 0 HD2 PHE A 129 0.331 -13.872 0.494 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -1.153 -11.451 -3.522 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -1.337 -14.884 -1.001 1.00 0.00 H new ATOM 0 HZ PHE A 129 -2.080 -13.675 -3.014 1.00 0.00 H new ATOM 2080 N ARG A 130 0.200 -10.759 3.179 1.00 0.00 N ATOM 2081 CA ARG A 130 -0.833 -11.069 4.158 1.00 0.00 C ATOM 2082 C ARG A 130 -1.875 -9.956 4.182 1.00 0.00 C ATOM 2083 O ARG A 130 -3.078 -10.211 4.163 1.00 0.00 O ATOM 2084 CB ARG A 130 -0.210 -11.238 5.544 1.00 0.00 C ATOM 2085 CG ARG A 130 0.897 -12.279 5.586 1.00 0.00 C ATOM 2086 CD ARG A 130 0.337 -13.688 5.671 1.00 0.00 C ATOM 2087 NE ARG A 130 1.385 -14.678 5.907 1.00 0.00 N ATOM 2088 CZ ARG A 130 1.151 -15.905 6.360 1.00 0.00 C ATOM 2089 NH1 ARG A 130 -0.091 -16.297 6.614 1.00 0.00 N ATOM 2090 NH2 ARG A 130 2.159 -16.744 6.558 1.00 0.00 N ATOM 0 H ARG A 130 1.146 -10.715 3.559 1.00 0.00 H new ATOM 0 HA ARG A 130 -1.319 -12.003 3.877 1.00 0.00 H new ATOM 0 HB2 ARG A 130 0.190 -10.279 5.873 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -0.989 -11.518 6.253 1.00 0.00 H new ATOM 0 HG2 ARG A 130 1.518 -12.187 4.695 1.00 0.00 H new ATOM 0 HG3 ARG A 130 1.542 -12.091 6.444 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -0.398 -13.739 6.475 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -0.186 -13.927 4.745 1.00 0.00 H new ATOM 0 HE ARG A 130 2.351 -14.412 5.713 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -0.869 -15.656 6.462 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -0.267 -17.240 6.962 1.00 0.00 H new ATOM 0 HH21 ARG A 130 3.115 -16.448 6.363 1.00 0.00 H new ATOM 0 HH22 ARG A 130 1.978 -17.686 6.906 1.00 0.00 H new ATOM 2104 N LEU A 131 -1.389 -8.719 4.221 1.00 0.00 N ATOM 2105 CA LEU A 131 -2.241 -7.545 4.227 1.00 0.00 C ATOM 2106 C LEU A 131 -2.728 -7.244 2.818 1.00 0.00 C ATOM 2107 O LEU A 131 -3.912 -7.004 2.589 1.00 0.00 O ATOM 2108 CB LEU A 131 -1.446 -6.356 4.744 1.00 0.00 C ATOM 2109 CG LEU A 131 -0.525 -6.663 5.913 1.00 0.00 C ATOM 2110 CD1 LEU A 131 0.676 -5.742 5.887 1.00 0.00 C ATOM 2111 CD2 LEU A 131 -1.272 -6.529 7.228 1.00 0.00 C ATOM 0 H LEU A 131 -0.392 -8.507 4.249 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.101 -7.731 4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -0.849 -5.953 3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -2.143 -5.574 5.045 1.00 0.00 H new ATOM 0 HG LEU A 131 -0.176 -7.692 5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.329 -5.971 6.729 1.00 0.00 H new ATOM 0 HD12 LEU A 131 1.223 -5.884 4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.342 -4.707 5.958 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -0.597 -6.752 8.054 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -1.647 -5.511 7.331 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -2.109 -7.227 7.244 1.00 0.00 H new ATOM 2123 N LEU A 132 -1.782 -7.253 1.885 1.00 0.00 N ATOM 2124 CA LEU A 132 -2.055 -6.979 0.480 1.00 0.00 C ATOM 2125 C LEU A 132 -3.279 -7.740 -0.023 1.00 0.00 C ATOM 2126 O LEU A 132 -4.240 -7.136 -0.500 1.00 0.00 O ATOM 2127 CB LEU A 132 -0.831 -7.352 -0.349 1.00 0.00 C ATOM 2128 CG LEU A 132 -0.801 -6.779 -1.761 1.00 0.00 C ATOM 2129 CD1 LEU A 132 0.040 -5.514 -1.793 1.00 0.00 C ATOM 2130 CD2 LEU A 132 -0.264 -7.812 -2.738 1.00 0.00 C ATOM 0 H LEU A 132 -0.801 -7.451 2.083 1.00 0.00 H new ATOM 0 HA LEU A 132 -2.270 -5.915 0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 132 0.061 -7.017 0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -0.774 -8.439 -0.414 1.00 0.00 H new ATOM 0 HG LEU A 132 -1.817 -6.524 -2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 132 0.055 -5.113 -2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -0.389 -4.775 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 132 1.058 -5.746 -1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -0.248 -7.389 -3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 132 0.748 -8.096 -2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -0.906 -8.693 -2.725 1.00 0.00 H new ATOM 2142 N SER A 133 -3.238 -9.062 0.084 1.00 0.00 N ATOM 2143 CA SER A 133 -4.342 -9.900 -0.372 1.00 0.00 C ATOM 2144 C SER A 133 -5.550 -9.780 0.543 1.00 0.00 C ATOM 2145 O SER A 133 -6.664 -10.093 0.139 1.00 0.00 O ATOM 2146 CB SER A 133 -3.901 -11.357 -0.474 1.00 0.00 C ATOM 2147 OG SER A 133 -3.535 -11.873 0.795 1.00 0.00 O ATOM 0 H SER A 133 -2.453 -9.578 0.482 1.00 0.00 H new ATOM 0 HA SER A 133 -4.635 -9.548 -1.361 1.00 0.00 H new ATOM 0 HB2 SER A 133 -4.710 -11.956 -0.893 1.00 0.00 H new ATOM 0 HB3 SER A 133 -3.057 -11.437 -1.159 1.00 0.00 H new ATOM 0 HG SER A 133 -2.627 -11.579 1.018 1.00 0.00 H new ATOM 2153 N ALA A 134 -5.332 -9.334 1.775 1.00 0.00 N ATOM 2154 CA ALA A 134 -6.430 -9.171 2.721 1.00 0.00 C ATOM 2155 C ALA A 134 -7.250 -7.935 2.385 1.00 0.00 C ATOM 2156 O ALA A 134 -8.453 -7.888 2.637 1.00 0.00 O ATOM 2157 CB ALA A 134 -5.906 -9.095 4.140 1.00 0.00 C ATOM 0 H ALA A 134 -4.414 -9.081 2.140 1.00 0.00 H new ATOM 0 HA ALA A 134 -7.080 -10.043 2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -6.741 -8.973 4.830 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -5.368 -10.013 4.379 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -5.231 -8.244 4.234 1.00 0.00 H new ATOM 2163 N PHE A 135 -6.586 -6.926 1.832 1.00 0.00 N ATOM 2164 CA PHE A 135 -7.261 -5.702 1.430 1.00 0.00 C ATOM 2165 C PHE A 135 -7.888 -5.920 0.065 1.00 0.00 C ATOM 2166 O PHE A 135 -8.965 -5.414 -0.238 1.00 0.00 O ATOM 2167 CB PHE A 135 -6.275 -4.538 1.370 1.00 0.00 C ATOM 2168 CG PHE A 135 -6.925 -3.212 1.124 1.00 0.00 C ATOM 2169 CD1 PHE A 135 -7.475 -2.488 2.169 1.00 0.00 C ATOM 2170 CD2 PHE A 135 -6.972 -2.684 -0.153 1.00 0.00 C ATOM 2171 CE1 PHE A 135 -8.062 -1.257 1.942 1.00 0.00 C ATOM 2172 CE2 PHE A 135 -7.551 -1.455 -0.388 1.00 0.00 C ATOM 2173 CZ PHE A 135 -8.097 -0.740 0.661 1.00 0.00 C ATOM 0 H PHE A 135 -5.582 -6.933 1.653 1.00 0.00 H new ATOM 0 HA PHE A 135 -8.031 -5.456 2.161 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -5.722 -4.493 2.308 1.00 0.00 H new ATOM 0 HB3 PHE A 135 -5.549 -4.729 0.580 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -7.445 -2.889 3.171 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -6.550 -3.241 -0.976 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -8.492 -0.702 2.763 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -7.578 -1.052 -1.390 1.00 0.00 H new ATOM 0 HZ PHE A 135 -8.551 0.223 0.480 1.00 0.00 H new ATOM 2183 N ILE A 136 -7.188 -6.697 -0.746 1.00 0.00 N ATOM 2184 CA ILE A 136 -7.635 -7.035 -2.080 1.00 0.00 C ATOM 2185 C ILE A 136 -8.855 -7.945 -1.995 1.00 0.00 C ATOM 2186 O ILE A 136 -9.763 -7.884 -2.825 1.00 0.00 O ATOM 2187 CB ILE A 136 -6.494 -7.760 -2.831 1.00 0.00 C ATOM 2188 CG1 ILE A 136 -6.012 -6.942 -4.020 1.00 0.00 C ATOM 2189 CG2 ILE A 136 -6.901 -9.157 -3.263 1.00 0.00 C ATOM 2190 CD1 ILE A 136 -4.636 -6.368 -3.802 1.00 0.00 C ATOM 0 H ILE A 136 -6.291 -7.111 -0.493 1.00 0.00 H new ATOM 0 HA ILE A 136 -7.904 -6.126 -2.618 1.00 0.00 H new ATOM 0 HB ILE A 136 -5.664 -7.864 -2.132 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -6.004 -7.570 -4.911 1.00 0.00 H new ATOM 0 HG13 ILE A 136 -6.715 -6.131 -4.209 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -6.072 -9.632 -3.787 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -7.162 -9.748 -2.385 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -7.763 -9.096 -3.928 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -4.338 -5.793 -4.679 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -4.648 -5.717 -2.928 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -3.925 -7.178 -3.641 1.00 0.00 H new ATOM 2202 N ALA A 137 -8.849 -8.789 -0.970 1.00 0.00 N ATOM 2203 CA ALA A 137 -9.911 -9.755 -0.741 1.00 0.00 C ATOM 2204 C ALA A 137 -11.065 -9.180 0.078 1.00 0.00 C ATOM 2205 O ALA A 137 -12.221 -9.234 -0.341 1.00 0.00 O ATOM 2206 CB ALA A 137 -9.327 -10.977 -0.048 1.00 0.00 C ATOM 0 H ALA A 137 -8.104 -8.821 -0.274 1.00 0.00 H new ATOM 0 HA ALA A 137 -10.328 -10.031 -1.710 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -10.117 -11.708 0.128 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -8.557 -11.420 -0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -8.888 -10.680 0.905 1.00 0.00 H new ATOM 2212 N ASP A 138 -10.746 -8.632 1.247 1.00 0.00 N ATOM 2213 CA ASP A 138 -11.767 -8.085 2.138 1.00 0.00 C ATOM 2214 C ASP A 138 -11.859 -6.565 2.066 1.00 0.00 C ATOM 2215 O ASP A 138 -12.945 -6.002 2.205 1.00 0.00 O ATOM 2216 CB ASP A 138 -11.480 -8.514 3.578 1.00 0.00 C ATOM 2217 CG ASP A 138 -12.580 -8.101 4.534 1.00 0.00 C ATOM 2218 OD1 ASP A 138 -12.650 -6.903 4.878 1.00 0.00 O ATOM 2219 OD2 ASP A 138 -13.374 -8.977 4.939 1.00 0.00 O ATOM 0 H ASP A 138 -9.792 -8.554 1.600 1.00 0.00 H new ATOM 0 HA ASP A 138 -12.727 -8.483 1.808 1.00 0.00 H new ATOM 0 HB2 ASP A 138 -11.358 -9.597 3.614 1.00 0.00 H new ATOM 0 HB3 ASP A 138 -10.536 -8.076 3.903 1.00 0.00 H new