USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 704 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0763 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0758 USER MOD Single : A 8 ASN : amide:sc= -0.0926 X(o=-0.093,f=-0.00019) USER MOD Single : A 10 ASN : amide:sc= -0.848 X(o=-0.85,f=-0.89) USER MOD Single : A 12 ASN : amide:sc= -0.139 K(o=-0.14,f=-7!) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.734 K(o=-0.73,f=-0.081) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.011) USER MOD Single : A 18 GLN : amide:sc= -0.143 K(o=-0.14,f=-0.73) USER MOD Single : A 19 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.148) USER MOD Single : A 20 GLN : amide:sc= -0.219 K(o=-0.22,f=-1.4!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.314 K(o=-0.31,f=-1.6) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.68 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= -0.454 USER MOD Single : A 35 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.034) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.364 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.02 K(o=-0.02,f=-1.2) USER MOD Single : A 44 LYS NZ :NH3+ -117:sc= -0.0304 (180deg=-2.05!) USER MOD Single : A 46 THR OG1 : rot 105:sc= -1.74! USER MOD Single : A 48 MET CE :methyl 150:sc= -0.423 (180deg=-2.04!) USER MOD Single : A 55 GLN : amide:sc= -0.207 K(o=-0.21,f=-0.96) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.066) USER MOD Single : A 70 HIS : no HD1:sc= -2.75 K(o=-2.7,f=-0.96) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -114:sc= 0.006 (180deg=-0.0301) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= -0.0347 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.0773 K(o=-0.077,f=-1.5) USER MOD Single : A 87 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.047) USER MOD Single : A 88 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.097) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.14 X(o=-0.14,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.392 6.977 -15.379 1.00 0.00 N ATOM 2 CA GLY A 1 -27.369 7.534 -14.451 1.00 0.00 C ATOM 3 C GLY A 1 -26.926 6.528 -13.405 1.00 0.00 C ATOM 4 O GLY A 1 -27.282 5.351 -13.483 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.058 7.069 -16.360 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.550 5.973 -15.159 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.284 7.500 -15.267 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.502 7.862 -15.025 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.775 8.415 -13.954 1.00 0.00 H new ATOM 10 N PRO A 2 -26.141 6.962 -12.405 1.00 0.00 N ATOM 11 CA PRO A 2 -25.654 6.076 -11.342 1.00 0.00 C ATOM 12 C PRO A 2 -26.791 5.392 -10.594 1.00 0.00 C ATOM 13 O PRO A 2 -27.892 5.933 -10.485 1.00 0.00 O ATOM 14 CB PRO A 2 -24.887 7.017 -10.406 1.00 0.00 C ATOM 15 CG PRO A 2 -24.543 8.199 -11.245 1.00 0.00 C ATOM 16 CD PRO A 2 -25.666 8.345 -12.230 1.00 0.00 C ATOM 0 HA PRO A 2 -25.044 5.265 -11.740 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -25.497 7.305 -9.550 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -23.990 6.538 -10.013 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -24.441 9.096 -10.634 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -23.592 8.052 -11.756 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -26.453 8.996 -11.850 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -25.323 8.775 -13.171 1.00 0.00 H new ATOM 24 N LEU A 3 -26.518 4.199 -10.079 1.00 0.00 N ATOM 25 CA LEU A 3 -27.518 3.441 -9.339 1.00 0.00 C ATOM 26 C LEU A 3 -27.773 4.069 -7.973 1.00 0.00 C ATOM 27 O LEU A 3 -26.837 4.352 -7.225 1.00 0.00 O ATOM 28 CB LEU A 3 -27.066 1.988 -9.176 1.00 0.00 C ATOM 29 CG LEU A 3 -27.944 0.952 -9.885 1.00 0.00 C ATOM 30 CD1 LEU A 3 -27.197 0.327 -11.053 1.00 0.00 C ATOM 31 CD2 LEU A 3 -28.400 -0.121 -8.906 1.00 0.00 C ATOM 0 H LEU A 3 -25.613 3.736 -10.161 1.00 0.00 H new ATOM 0 HA LEU A 3 -28.450 3.461 -9.904 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -26.047 1.896 -9.552 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -27.036 1.750 -8.113 1.00 0.00 H new ATOM 0 HG LEU A 3 -28.827 1.459 -10.275 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -27.837 -0.406 -11.544 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -26.922 1.104 -11.766 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -26.296 -0.165 -10.687 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -29.023 -0.848 -9.427 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -27.529 -0.624 -8.486 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -28.975 0.340 -8.103 1.00 0.00 H new ATOM 43 N GLY A 4 -29.045 4.285 -7.654 1.00 0.00 N ATOM 44 CA GLY A 4 -29.399 4.879 -6.378 1.00 0.00 C ATOM 45 C GLY A 4 -29.687 3.839 -5.314 1.00 0.00 C ATOM 46 O GLY A 4 -29.426 4.062 -4.132 1.00 0.00 O ATOM 0 H GLY A 4 -29.837 4.059 -8.256 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -28.586 5.522 -6.042 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -30.275 5.514 -6.507 1.00 0.00 H new ATOM 50 N SER A 5 -30.227 2.702 -5.735 1.00 0.00 N ATOM 51 CA SER A 5 -30.554 1.622 -4.811 1.00 0.00 C ATOM 52 C SER A 5 -29.333 0.746 -4.544 1.00 0.00 C ATOM 53 O SER A 5 -28.368 0.761 -5.308 1.00 0.00 O ATOM 54 CB SER A 5 -31.692 0.770 -5.373 1.00 0.00 C ATOM 55 OG SER A 5 -31.632 0.709 -6.786 1.00 0.00 O ATOM 0 H SER A 5 -30.448 2.503 -6.711 1.00 0.00 H new ATOM 0 HA SER A 5 -30.873 2.068 -3.869 1.00 0.00 H new ATOM 0 HB2 SER A 5 -31.635 -0.237 -4.960 1.00 0.00 H new ATOM 0 HB3 SER A 5 -32.650 1.188 -5.064 1.00 0.00 H new ATOM 0 HG SER A 5 -32.369 0.157 -7.121 1.00 0.00 H new ATOM 61 N PRO A 6 -29.360 -0.035 -3.450 1.00 0.00 N ATOM 62 CA PRO A 6 -28.250 -0.922 -3.086 1.00 0.00 C ATOM 63 C PRO A 6 -28.102 -2.085 -4.058 1.00 0.00 C ATOM 64 O PRO A 6 -28.706 -2.091 -5.130 1.00 0.00 O ATOM 65 CB PRO A 6 -28.641 -1.432 -1.697 1.00 0.00 C ATOM 66 CG PRO A 6 -30.126 -1.321 -1.657 1.00 0.00 C ATOM 67 CD PRO A 6 -30.473 -0.117 -2.487 1.00 0.00 C ATOM 0 HA PRO A 6 -27.290 -0.406 -3.108 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -28.317 -2.462 -1.548 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -28.178 -0.835 -0.911 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -30.596 -2.220 -2.057 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -30.481 -1.205 -0.633 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -31.432 -0.239 -2.990 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -30.545 0.784 -1.878 1.00 0.00 H new ATOM 75 N ARG A 7 -27.298 -3.071 -3.675 1.00 0.00 N ATOM 76 CA ARG A 7 -27.073 -4.241 -4.516 1.00 0.00 C ATOM 77 C ARG A 7 -28.271 -5.187 -4.466 1.00 0.00 C ATOM 78 O ARG A 7 -29.105 -5.102 -3.565 1.00 0.00 O ATOM 79 CB ARG A 7 -25.803 -4.975 -4.075 1.00 0.00 C ATOM 80 CG ARG A 7 -24.832 -5.241 -5.214 1.00 0.00 C ATOM 81 CD ARG A 7 -23.963 -6.457 -4.936 1.00 0.00 C ATOM 82 NE ARG A 7 -23.274 -6.356 -3.650 1.00 0.00 N ATOM 83 CZ ARG A 7 -21.981 -6.628 -3.471 1.00 0.00 C ATOM 84 NH1 ARG A 7 -21.226 -7.027 -4.488 1.00 0.00 N ATOM 85 NH2 ARG A 7 -21.442 -6.504 -2.264 1.00 0.00 N ATOM 0 H ARG A 7 -26.792 -3.084 -2.789 1.00 0.00 H new ATOM 0 HA ARG A 7 -26.947 -3.901 -5.544 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -25.300 -4.386 -3.309 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -26.082 -5.924 -3.616 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -25.388 -5.394 -6.139 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -24.198 -4.367 -5.364 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -24.581 -7.354 -4.946 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -23.228 -6.567 -5.733 1.00 0.00 H new ATOM 0 HE ARG A 7 -23.817 -6.059 -2.839 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -21.634 -7.128 -5.417 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -20.238 -7.232 -4.340 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -22.017 -6.202 -1.477 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -20.453 -6.711 -2.123 1.00 0.00 H new ATOM 99 N ASN A 8 -28.346 -6.087 -5.442 1.00 0.00 N ATOM 100 CA ASN A 8 -29.439 -7.049 -5.513 1.00 0.00 C ATOM 101 C ASN A 8 -29.106 -8.308 -4.718 1.00 0.00 C ATOM 102 O ASN A 8 -29.854 -8.708 -3.825 1.00 0.00 O ATOM 103 CB ASN A 8 -29.731 -7.413 -6.970 1.00 0.00 C ATOM 104 CG ASN A 8 -31.213 -7.592 -7.236 1.00 0.00 C ATOM 105 OD1 ASN A 8 -31.653 -8.654 -7.675 1.00 0.00 O ATOM 106 ND2 ASN A 8 -31.993 -6.549 -6.974 1.00 0.00 N ATOM 0 H ASN A 8 -27.662 -6.170 -6.194 1.00 0.00 H new ATOM 0 HA ASN A 8 -30.326 -6.589 -5.077 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -29.339 -6.632 -7.622 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -29.205 -8.334 -7.224 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -32.998 -6.610 -7.136 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -31.587 -5.687 -6.611 1.00 0.00 H new ATOM 113 N ALA A 9 -27.978 -8.929 -5.049 1.00 0.00 N ATOM 114 CA ALA A 9 -27.544 -10.142 -4.368 1.00 0.00 C ATOM 115 C ALA A 9 -27.171 -9.858 -2.916 1.00 0.00 C ATOM 116 O ALA A 9 -26.761 -8.748 -2.576 1.00 0.00 O ATOM 117 CB ALA A 9 -26.368 -10.766 -5.106 1.00 0.00 C ATOM 0 H ALA A 9 -27.348 -8.611 -5.786 1.00 0.00 H new ATOM 0 HA ALA A 9 -28.376 -10.846 -4.367 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -26.052 -11.672 -4.588 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -26.668 -11.016 -6.124 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -25.540 -10.058 -5.136 1.00 0.00 H new ATOM 123 N ASN A 10 -27.314 -10.870 -2.066 1.00 0.00 N ATOM 124 CA ASN A 10 -26.988 -10.730 -0.651 1.00 0.00 C ATOM 125 C ASN A 10 -25.574 -11.225 -0.370 1.00 0.00 C ATOM 126 O ASN A 10 -24.814 -10.587 0.357 1.00 0.00 O ATOM 127 CB ASN A 10 -27.992 -11.503 0.208 1.00 0.00 C ATOM 128 CG ASN A 10 -28.007 -12.985 -0.109 1.00 0.00 C ATOM 129 OD1 ASN A 10 -27.277 -13.770 0.498 1.00 0.00 O ATOM 130 ND2 ASN A 10 -28.843 -13.377 -1.063 1.00 0.00 N ATOM 0 H ASN A 10 -27.653 -11.795 -2.332 1.00 0.00 H new ATOM 0 HA ASN A 10 -27.043 -9.672 -0.394 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -27.748 -11.362 1.261 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -28.990 -11.092 0.054 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -28.899 -14.363 -1.319 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -29.430 -12.692 -1.540 1.00 0.00 H new ATOM 137 N ASP A 11 -25.227 -12.365 -0.956 1.00 0.00 N ATOM 138 CA ASP A 11 -23.903 -12.945 -0.773 1.00 0.00 C ATOM 139 C ASP A 11 -22.889 -12.275 -1.696 1.00 0.00 C ATOM 140 O ASP A 11 -23.241 -11.401 -2.489 1.00 0.00 O ATOM 141 CB ASP A 11 -23.944 -14.451 -1.042 1.00 0.00 C ATOM 142 CG ASP A 11 -23.945 -15.265 0.238 1.00 0.00 C ATOM 143 OD1 ASP A 11 -24.674 -14.892 1.180 1.00 0.00 O ATOM 144 OD2 ASP A 11 -23.216 -16.279 0.297 1.00 0.00 O ATOM 0 H ASP A 11 -25.844 -12.906 -1.562 1.00 0.00 H new ATOM 0 HA ASP A 11 -23.594 -12.778 0.259 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -24.835 -14.690 -1.622 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -23.083 -14.733 -1.649 1.00 0.00 H new ATOM 149 N ASN A 12 -21.630 -12.688 -1.589 1.00 0.00 N ATOM 150 CA ASN A 12 -20.570 -12.123 -2.418 1.00 0.00 C ATOM 151 C ASN A 12 -20.386 -12.938 -3.694 1.00 0.00 C ATOM 152 O ASN A 12 -19.908 -14.071 -3.657 1.00 0.00 O ATOM 153 CB ASN A 12 -19.255 -12.070 -1.638 1.00 0.00 C ATOM 154 CG ASN A 12 -18.889 -13.409 -1.028 1.00 0.00 C ATOM 155 OD1 ASN A 12 -19.669 -14.360 -1.076 1.00 0.00 O ATOM 156 ND2 ASN A 12 -17.696 -13.491 -0.451 1.00 0.00 N ATOM 0 H ASN A 12 -21.319 -13.410 -0.939 1.00 0.00 H new ATOM 0 HA ASN A 12 -20.860 -11.109 -2.694 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -18.454 -11.746 -2.303 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -19.335 -11.324 -0.848 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -17.395 -14.367 -0.025 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -17.081 -12.678 -0.434 1.00 0.00 H new ATOM 163 N ASN A 13 -20.772 -12.352 -4.824 1.00 0.00 N ATOM 164 CA ASN A 13 -20.650 -13.025 -6.114 1.00 0.00 C ATOM 165 C ASN A 13 -19.726 -12.256 -7.057 1.00 0.00 C ATOM 166 O ASN A 13 -19.447 -12.709 -8.169 1.00 0.00 O ATOM 167 CB ASN A 13 -22.031 -13.194 -6.755 1.00 0.00 C ATOM 168 CG ASN A 13 -22.506 -14.634 -6.731 1.00 0.00 C ATOM 169 OD1 ASN A 13 -22.616 -15.281 -7.773 1.00 0.00 O ATOM 170 ND2 ASN A 13 -22.791 -15.144 -5.538 1.00 0.00 N ATOM 0 H ASN A 13 -21.171 -11.415 -4.873 1.00 0.00 H new ATOM 0 HA ASN A 13 -20.212 -14.008 -5.939 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -22.752 -12.568 -6.230 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -21.996 -12.843 -7.786 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -23.115 -16.108 -5.460 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -22.685 -14.572 -4.700 1.00 0.00 H new ATOM 177 N GLN A 14 -19.249 -11.095 -6.613 1.00 0.00 N ATOM 178 CA GLN A 14 -18.356 -10.280 -7.427 1.00 0.00 C ATOM 179 C GLN A 14 -16.930 -10.819 -7.365 1.00 0.00 C ATOM 180 O GLN A 14 -16.014 -10.140 -6.899 1.00 0.00 O ATOM 181 CB GLN A 14 -18.393 -8.820 -6.964 1.00 0.00 C ATOM 182 CG GLN A 14 -18.408 -7.822 -8.110 1.00 0.00 C ATOM 183 CD GLN A 14 -17.914 -6.448 -7.699 1.00 0.00 C ATOM 184 OE1 GLN A 14 -18.620 -5.451 -7.851 1.00 0.00 O ATOM 185 NE2 GLN A 14 -16.695 -6.389 -7.176 1.00 0.00 N ATOM 0 H GLN A 14 -19.466 -10.700 -5.698 1.00 0.00 H new ATOM 0 HA GLN A 14 -18.698 -10.326 -8.461 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -19.277 -8.665 -6.346 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -17.525 -8.625 -6.334 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -17.786 -8.199 -8.922 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -19.423 -7.737 -8.499 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -16.144 -7.241 -7.068 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -16.309 -5.492 -6.882 1.00 0.00 H new ATOM 194 N PHE A 15 -16.753 -12.049 -7.833 1.00 0.00 N ATOM 195 CA PHE A 15 -15.443 -12.687 -7.829 1.00 0.00 C ATOM 196 C PHE A 15 -14.701 -12.452 -9.145 1.00 0.00 C ATOM 197 O PHE A 15 -13.595 -12.957 -9.338 1.00 0.00 O ATOM 198 CB PHE A 15 -15.589 -14.190 -7.577 1.00 0.00 C ATOM 199 CG PHE A 15 -14.598 -14.734 -6.589 1.00 0.00 C ATOM 200 CD1 PHE A 15 -14.690 -14.410 -5.245 1.00 0.00 C ATOM 201 CD2 PHE A 15 -13.575 -15.570 -7.006 1.00 0.00 C ATOM 202 CE1 PHE A 15 -13.780 -14.911 -4.335 1.00 0.00 C ATOM 203 CE2 PHE A 15 -12.662 -16.073 -6.100 1.00 0.00 C ATOM 204 CZ PHE A 15 -12.764 -15.744 -4.763 1.00 0.00 C ATOM 0 H PHE A 15 -17.501 -12.624 -8.220 1.00 0.00 H new ATOM 0 HA PHE A 15 -14.858 -12.239 -7.026 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -16.597 -14.393 -7.216 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -15.476 -14.721 -8.522 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -15.482 -13.759 -4.905 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -13.491 -15.831 -8.051 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -13.862 -14.652 -3.290 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.869 -16.723 -6.437 1.00 0.00 H new ATOM 0 HZ PHE A 15 -12.051 -16.137 -4.053 1.00 0.00 H new ATOM 214 N TYR A 16 -15.309 -11.684 -10.049 1.00 0.00 N ATOM 215 CA TYR A 16 -14.685 -11.396 -11.336 1.00 0.00 C ATOM 216 C TYR A 16 -13.896 -10.095 -11.278 1.00 0.00 C ATOM 217 O TYR A 16 -12.904 -9.928 -11.988 1.00 0.00 O ATOM 218 CB TYR A 16 -15.727 -11.330 -12.455 1.00 0.00 C ATOM 219 CG TYR A 16 -16.997 -10.614 -12.071 1.00 0.00 C ATOM 220 CD1 TYR A 16 -17.992 -11.270 -11.364 1.00 0.00 C ATOM 221 CD2 TYR A 16 -17.201 -9.288 -12.420 1.00 0.00 C ATOM 222 CE1 TYR A 16 -19.159 -10.623 -11.012 1.00 0.00 C ATOM 223 CE2 TYR A 16 -18.366 -8.632 -12.072 1.00 0.00 C ATOM 224 CZ TYR A 16 -19.343 -9.302 -11.368 1.00 0.00 C ATOM 225 OH TYR A 16 -20.506 -8.652 -11.023 1.00 0.00 O ATOM 0 H TYR A 16 -16.224 -11.255 -9.914 1.00 0.00 H new ATOM 0 HA TYR A 16 -13.997 -12.212 -11.556 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -15.287 -10.830 -13.318 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -15.975 -12.345 -12.767 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -17.852 -12.304 -11.084 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -16.438 -8.760 -12.972 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -19.925 -11.148 -10.460 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -18.510 -7.599 -12.350 1.00 0.00 H new ATOM 0 HH TYR A 16 -20.474 -7.728 -11.349 1.00 0.00 H new ATOM 235 N GLN A 17 -14.336 -9.179 -10.423 1.00 0.00 N ATOM 236 CA GLN A 17 -13.663 -7.895 -10.266 1.00 0.00 C ATOM 237 C GLN A 17 -12.601 -7.965 -9.168 1.00 0.00 C ATOM 238 O GLN A 17 -12.128 -6.935 -8.686 1.00 0.00 O ATOM 239 CB GLN A 17 -14.683 -6.799 -9.946 1.00 0.00 C ATOM 240 CG GLN A 17 -15.631 -6.499 -11.096 1.00 0.00 C ATOM 241 CD GLN A 17 -15.857 -5.013 -11.295 1.00 0.00 C ATOM 242 OE1 GLN A 17 -16.989 -4.535 -11.246 1.00 0.00 O ATOM 243 NE2 GLN A 17 -14.776 -4.274 -11.520 1.00 0.00 N ATOM 0 H GLN A 17 -15.155 -9.301 -9.828 1.00 0.00 H new ATOM 0 HA GLN A 17 -13.166 -7.654 -11.206 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -15.265 -7.099 -9.074 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -14.151 -5.886 -9.676 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -15.229 -6.927 -12.014 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -16.588 -6.986 -10.909 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -13.856 -4.713 -11.552 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -14.866 -3.268 -11.660 1.00 0.00 H new ATOM 252 N GLN A 18 -12.227 -9.184 -8.780 1.00 0.00 N ATOM 253 CA GLN A 18 -11.220 -9.382 -7.743 1.00 0.00 C ATOM 254 C GLN A 18 -9.836 -9.003 -8.254 1.00 0.00 C ATOM 255 O GLN A 18 -9.088 -8.294 -7.579 1.00 0.00 O ATOM 256 CB GLN A 18 -11.218 -10.837 -7.272 1.00 0.00 C ATOM 257 CG GLN A 18 -12.154 -11.102 -6.103 1.00 0.00 C ATOM 258 CD GLN A 18 -11.411 -11.344 -4.801 1.00 0.00 C ATOM 259 OE1 GLN A 18 -10.372 -12.006 -4.781 1.00 0.00 O ATOM 260 NE2 GLN A 18 -11.941 -10.809 -3.707 1.00 0.00 N ATOM 0 H GLN A 18 -12.607 -10.047 -9.169 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.470 -8.736 -6.902 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.501 -11.480 -8.106 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.204 -11.115 -6.985 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -12.826 -10.252 -5.981 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -12.775 -11.969 -6.329 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -12.803 -10.268 -3.770 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.486 -10.939 -2.804 1.00 0.00 H new ATOM 269 N LYS A 19 -9.496 -9.480 -9.447 1.00 0.00 N ATOM 270 CA LYS A 19 -8.197 -9.185 -10.039 1.00 0.00 C ATOM 271 C LYS A 19 -7.988 -7.681 -10.154 1.00 0.00 C ATOM 272 O LYS A 19 -6.859 -7.200 -10.123 1.00 0.00 O ATOM 273 CB LYS A 19 -8.069 -9.848 -11.415 1.00 0.00 C ATOM 274 CG LYS A 19 -7.090 -11.013 -11.436 1.00 0.00 C ATOM 275 CD LYS A 19 -6.652 -11.354 -12.853 1.00 0.00 C ATOM 276 CE LYS A 19 -7.246 -12.674 -13.317 1.00 0.00 C ATOM 277 NZ LYS A 19 -8.733 -12.671 -13.244 1.00 0.00 N ATOM 0 H LYS A 19 -10.099 -10.070 -10.020 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.425 -9.591 -9.386 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.050 -10.202 -11.732 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.749 -9.101 -12.142 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.216 -10.765 -10.835 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.554 -11.887 -10.978 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.958 -10.558 -13.531 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.564 -11.408 -12.896 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.933 -12.872 -14.342 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.854 -13.484 -12.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.111 -13.438 -13.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.032 -12.814 -12.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.096 -11.759 -13.587 1.00 0.00 H new ATOM 291 N GLN A 20 -9.088 -6.947 -10.276 1.00 0.00 N ATOM 292 CA GLN A 20 -9.034 -5.493 -10.384 1.00 0.00 C ATOM 293 C GLN A 20 -8.612 -4.873 -9.058 1.00 0.00 C ATOM 294 O GLN A 20 -7.717 -4.030 -9.010 1.00 0.00 O ATOM 295 CB GLN A 20 -10.397 -4.940 -10.806 1.00 0.00 C ATOM 296 CG GLN A 20 -10.530 -4.711 -12.303 1.00 0.00 C ATOM 297 CD GLN A 20 -10.404 -3.249 -12.683 1.00 0.00 C ATOM 298 OE1 GLN A 20 -10.775 -2.361 -11.914 1.00 0.00 O ATOM 299 NE2 GLN A 20 -9.879 -2.990 -13.876 1.00 0.00 N ATOM 0 H GLN A 20 -10.031 -7.336 -10.303 1.00 0.00 H new ATOM 0 HA GLN A 20 -8.296 -5.234 -11.143 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.175 -5.632 -10.483 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.573 -3.998 -10.287 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.764 -5.285 -12.824 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.496 -5.088 -12.640 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.585 -3.757 -14.481 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.770 -2.025 -14.187 1.00 0.00 H new ATOM 308 N ARG A 21 -9.270 -5.304 -7.983 1.00 0.00 N ATOM 309 CA ARG A 21 -8.980 -4.805 -6.640 1.00 0.00 C ATOM 310 C ARG A 21 -7.476 -4.732 -6.381 1.00 0.00 C ATOM 311 O ARG A 21 -6.932 -3.659 -6.119 1.00 0.00 O ATOM 312 CB ARG A 21 -9.633 -5.705 -5.598 1.00 0.00 C ATOM 313 CG ARG A 21 -10.258 -4.932 -4.451 1.00 0.00 C ATOM 314 CD ARG A 21 -11.406 -5.694 -3.815 1.00 0.00 C ATOM 315 NE ARG A 21 -12.201 -4.842 -2.930 1.00 0.00 N ATOM 316 CZ ARG A 21 -13.503 -5.002 -2.710 1.00 0.00 C ATOM 317 NH1 ARG A 21 -14.168 -5.996 -3.287 1.00 0.00 N ATOM 318 NH2 ARG A 21 -14.146 -4.170 -1.903 1.00 0.00 N ATOM 0 H ARG A 21 -10.013 -6.003 -8.017 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.388 -3.797 -6.565 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.400 -6.312 -6.080 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.886 -6.392 -5.201 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.499 -4.724 -3.697 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.618 -3.970 -4.815 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.046 -6.104 -4.596 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.012 -6.538 -3.249 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.726 -4.077 -2.451 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.680 -6.645 -3.905 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -15.166 -6.111 -3.112 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.642 -3.407 -1.451 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -15.144 -4.293 -1.734 1.00 0.00 H new ATOM 332 N GLN A 22 -6.813 -5.883 -6.448 1.00 0.00 N ATOM 333 CA GLN A 22 -5.375 -5.952 -6.213 1.00 0.00 C ATOM 334 C GLN A 22 -4.589 -5.341 -7.369 1.00 0.00 C ATOM 335 O GLN A 22 -3.421 -4.989 -7.213 1.00 0.00 O ATOM 336 CB GLN A 22 -4.936 -7.404 -6.005 1.00 0.00 C ATOM 337 CG GLN A 22 -5.609 -8.081 -4.821 1.00 0.00 C ATOM 338 CD GLN A 22 -4.640 -8.390 -3.693 1.00 0.00 C ATOM 339 OE1 GLN A 22 -3.746 -9.224 -3.836 1.00 0.00 O ATOM 340 NE2 GLN A 22 -4.816 -7.715 -2.563 1.00 0.00 N ATOM 0 H GLN A 22 -7.249 -6.780 -6.663 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.163 -5.376 -5.312 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.152 -7.973 -6.909 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.856 -7.431 -5.862 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -6.405 -7.438 -4.445 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.078 -9.006 -5.155 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.571 -7.033 -2.489 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -4.197 -7.879 -1.769 1.00 0.00 H new ATOM 349 N ALA A 23 -5.229 -5.222 -8.530 1.00 0.00 N ATOM 350 CA ALA A 23 -4.570 -4.657 -9.708 1.00 0.00 C ATOM 351 C ALA A 23 -4.006 -3.273 -9.415 1.00 0.00 C ATOM 352 O ALA A 23 -2.790 -3.083 -9.366 1.00 0.00 O ATOM 353 CB ALA A 23 -5.534 -4.588 -10.883 1.00 0.00 C ATOM 0 H ALA A 23 -6.197 -5.507 -8.681 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.742 -5.316 -9.969 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.023 -4.165 -11.748 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.886 -5.591 -11.124 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.384 -3.959 -10.620 1.00 0.00 H new ATOM 359 N LEU A 24 -4.898 -2.307 -9.225 1.00 0.00 N ATOM 360 CA LEU A 24 -4.491 -0.943 -8.942 1.00 0.00 C ATOM 361 C LEU A 24 -3.840 -0.851 -7.563 1.00 0.00 C ATOM 362 O LEU A 24 -2.917 -0.067 -7.354 1.00 0.00 O ATOM 363 CB LEU A 24 -5.698 -0.011 -9.050 1.00 0.00 C ATOM 364 CG LEU A 24 -5.910 0.610 -10.432 1.00 0.00 C ATOM 365 CD1 LEU A 24 -4.675 1.381 -10.873 1.00 0.00 C ATOM 366 CD2 LEU A 24 -6.257 -0.471 -11.441 1.00 0.00 C ATOM 0 H LEU A 24 -5.908 -2.447 -9.263 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.748 -0.632 -9.677 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.594 -0.568 -8.776 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.586 0.791 -8.321 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.741 1.313 -10.373 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.849 1.814 -11.858 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.469 2.178 -10.158 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.821 0.705 -10.919 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.406 -0.019 -12.422 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.443 -1.194 -11.494 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.172 -0.977 -11.132 1.00 0.00 H new ATOM 378 N GLY A 25 -4.308 -1.667 -6.624 1.00 0.00 N ATOM 379 CA GLY A 25 -3.724 -1.651 -5.297 1.00 0.00 C ATOM 380 C GLY A 25 -2.251 -2.016 -5.349 1.00 0.00 C ATOM 381 O GLY A 25 -1.420 -1.421 -4.653 1.00 0.00 O ATOM 0 H GLY A 25 -5.071 -2.331 -6.756 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.842 -0.662 -4.855 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.254 -2.353 -4.653 1.00 0.00 H new ATOM 385 N GLU A 26 -1.919 -2.980 -6.205 1.00 0.00 N ATOM 386 CA GLU A 26 -0.536 -3.401 -6.370 1.00 0.00 C ATOM 387 C GLU A 26 0.318 -2.207 -6.779 1.00 0.00 C ATOM 388 O GLU A 26 1.495 -2.126 -6.428 1.00 0.00 O ATOM 389 CB GLU A 26 -0.426 -4.515 -7.417 1.00 0.00 C ATOM 390 CG GLU A 26 -0.012 -5.859 -6.834 1.00 0.00 C ATOM 391 CD GLU A 26 1.373 -6.290 -7.276 1.00 0.00 C ATOM 392 OE1 GLU A 26 1.553 -6.565 -8.481 1.00 0.00 O ATOM 393 OE2 GLU A 26 2.278 -6.354 -6.417 1.00 0.00 O ATOM 0 H GLU A 26 -2.587 -3.480 -6.791 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.175 -3.794 -5.419 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.387 -4.627 -7.919 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.298 -4.219 -8.176 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.040 -5.802 -5.746 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.736 -6.618 -7.132 1.00 0.00 H new ATOM 400 N GLN A 27 -0.288 -1.271 -7.513 1.00 0.00 N ATOM 401 CA GLN A 27 0.425 -0.076 -7.949 1.00 0.00 C ATOM 402 C GLN A 27 0.938 0.697 -6.740 1.00 0.00 C ATOM 403 O GLN A 27 2.000 1.316 -6.792 1.00 0.00 O ATOM 404 CB GLN A 27 -0.472 0.823 -8.803 1.00 0.00 C ATOM 405 CG GLN A 27 -0.547 0.405 -10.264 1.00 0.00 C ATOM 406 CD GLN A 27 -0.250 1.549 -11.215 1.00 0.00 C ATOM 407 OE1 GLN A 27 0.793 2.194 -11.118 1.00 0.00 O ATOM 408 NE2 GLN A 27 -1.169 1.805 -12.138 1.00 0.00 N ATOM 0 H GLN A 27 -1.261 -1.319 -7.814 1.00 0.00 H new ATOM 0 HA GLN A 27 1.270 -0.391 -8.561 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.478 0.822 -8.382 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.104 1.847 -8.746 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.161 -0.404 -10.443 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.541 0.011 -10.475 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.019 1.243 -12.181 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.025 2.563 -12.805 1.00 0.00 H new ATOM 417 N LEU A 28 0.179 0.643 -5.643 1.00 0.00 N ATOM 418 CA LEU A 28 0.566 1.326 -4.410 1.00 0.00 C ATOM 419 C LEU A 28 1.942 0.845 -3.959 1.00 0.00 C ATOM 420 O LEU A 28 2.773 1.633 -3.508 1.00 0.00 O ATOM 421 CB LEU A 28 -0.474 1.076 -3.305 1.00 0.00 C ATOM 422 CG LEU A 28 -0.521 2.127 -2.182 1.00 0.00 C ATOM 423 CD1 LEU A 28 -1.442 3.277 -2.561 1.00 0.00 C ATOM 424 CD2 LEU A 28 -0.972 1.497 -0.865 1.00 0.00 C ATOM 0 H LEU A 28 -0.704 0.135 -5.585 1.00 0.00 H new ATOM 0 HA LEU A 28 0.610 2.398 -4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.460 1.019 -3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.275 0.102 -2.858 1.00 0.00 H new ATOM 0 HG LEU A 28 0.487 2.520 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.461 4.009 -1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.076 3.751 -3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.449 2.896 -2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.997 2.260 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.968 1.071 -0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.273 0.711 -0.580 1.00 0.00 H new ATOM 436 N TYR A 29 2.168 -0.462 -4.088 1.00 0.00 N ATOM 437 CA TYR A 29 3.442 -1.068 -3.695 1.00 0.00 C ATOM 438 C TYR A 29 4.551 -0.786 -4.713 1.00 0.00 C ATOM 439 O TYR A 29 5.661 -0.413 -4.336 1.00 0.00 O ATOM 440 CB TYR A 29 3.282 -2.582 -3.521 1.00 0.00 C ATOM 441 CG TYR A 29 4.566 -3.298 -3.148 1.00 0.00 C ATOM 442 CD1 TYR A 29 5.324 -2.893 -2.056 1.00 0.00 C ATOM 443 CD2 TYR A 29 5.015 -4.386 -3.889 1.00 0.00 C ATOM 444 CE1 TYR A 29 6.493 -3.551 -1.714 1.00 0.00 C ATOM 445 CE2 TYR A 29 6.183 -5.047 -3.553 1.00 0.00 C ATOM 446 CZ TYR A 29 6.916 -4.626 -2.465 1.00 0.00 C ATOM 447 OH TYR A 29 8.079 -5.283 -2.127 1.00 0.00 O ATOM 0 H TYR A 29 1.486 -1.122 -4.461 1.00 0.00 H new ATOM 0 HA TYR A 29 3.732 -0.616 -2.746 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.535 -2.772 -2.750 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.898 -3.006 -4.449 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.996 -2.051 -1.464 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.442 -4.721 -4.741 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.071 -3.223 -0.862 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.519 -5.889 -4.141 1.00 0.00 H new ATOM 0 HH TYR A 29 8.234 -6.018 -2.756 1.00 0.00 H new ATOM 457 N LYS A 30 4.260 -0.981 -5.996 1.00 0.00 N ATOM 458 CA LYS A 30 5.261 -0.756 -7.038 1.00 0.00 C ATOM 459 C LYS A 30 5.692 0.711 -7.089 1.00 0.00 C ATOM 460 O LYS A 30 6.861 1.013 -7.331 1.00 0.00 O ATOM 461 CB LYS A 30 4.730 -1.196 -8.406 1.00 0.00 C ATOM 462 CG LYS A 30 3.700 -0.251 -8.998 1.00 0.00 C ATOM 463 CD LYS A 30 3.113 -0.802 -10.292 1.00 0.00 C ATOM 464 CE LYS A 30 3.281 0.177 -11.443 1.00 0.00 C ATOM 465 NZ LYS A 30 2.518 -0.244 -12.649 1.00 0.00 N ATOM 0 H LYS A 30 3.350 -1.291 -6.338 1.00 0.00 H new ATOM 0 HA LYS A 30 6.134 -1.359 -6.789 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.567 -1.285 -9.098 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.287 -2.188 -8.311 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.900 -0.085 -8.276 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.162 0.717 -9.190 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.600 -1.745 -10.541 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.054 -1.018 -10.149 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.947 1.166 -11.129 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.338 0.263 -11.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.660 0.451 -13.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.854 -1.176 -12.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.506 -0.301 -12.417 1.00 0.00 H new ATOM 479 N LYS A 31 4.743 1.616 -6.864 1.00 0.00 N ATOM 480 CA LYS A 31 5.034 3.047 -6.889 1.00 0.00 C ATOM 481 C LYS A 31 6.052 3.408 -5.811 1.00 0.00 C ATOM 482 O LYS A 31 6.940 4.232 -6.031 1.00 0.00 O ATOM 483 CB LYS A 31 3.751 3.859 -6.692 1.00 0.00 C ATOM 484 CG LYS A 31 3.815 5.253 -7.299 1.00 0.00 C ATOM 485 CD LYS A 31 2.750 5.450 -8.368 1.00 0.00 C ATOM 486 CE LYS A 31 3.274 6.282 -9.527 1.00 0.00 C ATOM 487 NZ LYS A 31 3.766 5.432 -10.644 1.00 0.00 N ATOM 0 H LYS A 31 3.770 1.385 -6.663 1.00 0.00 H new ATOM 0 HA LYS A 31 5.457 3.290 -7.864 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.916 3.317 -7.135 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.545 3.945 -5.625 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.685 5.998 -6.514 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.801 5.416 -7.733 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.418 4.479 -8.736 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.880 5.940 -7.931 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.482 6.937 -9.891 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.082 6.924 -9.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.115 6.038 -11.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.539 4.825 -10.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.989 4.838 -10.996 1.00 0.00 H new ATOM 501 N VAL A 32 5.927 2.771 -4.652 1.00 0.00 N ATOM 502 CA VAL A 32 6.845 3.006 -3.548 1.00 0.00 C ATOM 503 C VAL A 32 8.131 2.225 -3.757 1.00 0.00 C ATOM 504 O VAL A 32 9.222 2.732 -3.501 1.00 0.00 O ATOM 505 CB VAL A 32 6.217 2.631 -2.196 1.00 0.00 C ATOM 506 CG1 VAL A 32 5.063 3.567 -1.867 1.00 0.00 C ATOM 507 CG2 VAL A 32 5.756 1.185 -2.190 1.00 0.00 C ATOM 0 H VAL A 32 5.197 2.087 -4.454 1.00 0.00 H new ATOM 0 HA VAL A 32 7.069 4.073 -3.528 1.00 0.00 H new ATOM 0 HB VAL A 32 6.980 2.741 -1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.630 3.287 -0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.430 4.592 -1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.302 3.493 -2.644 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.316 0.947 -1.221 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.012 1.037 -2.973 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.609 0.531 -2.372 1.00 0.00 H new ATOM 517 N SER A 33 8.002 0.993 -4.245 1.00 0.00 N ATOM 518 CA SER A 33 9.165 0.156 -4.513 1.00 0.00 C ATOM 519 C SER A 33 9.884 0.609 -5.786 1.00 0.00 C ATOM 520 O SER A 33 10.806 -0.059 -6.254 1.00 0.00 O ATOM 521 CB SER A 33 8.746 -1.309 -4.646 1.00 0.00 C ATOM 522 OG SER A 33 8.315 -1.598 -5.966 1.00 0.00 O ATOM 0 H SER A 33 7.107 0.555 -4.462 1.00 0.00 H new ATOM 0 HA SER A 33 9.853 0.256 -3.673 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.583 -1.955 -4.384 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.943 -1.526 -3.942 1.00 0.00 H new ATOM 0 HG SER A 33 8.054 -2.541 -6.026 1.00 0.00 H new ATOM 528 N ALA A 34 9.462 1.746 -6.342 1.00 0.00 N ATOM 529 CA ALA A 34 10.069 2.283 -7.555 1.00 0.00 C ATOM 530 C ALA A 34 11.533 2.663 -7.334 1.00 0.00 C ATOM 531 O ALA A 34 12.223 3.065 -8.272 1.00 0.00 O ATOM 532 CB ALA A 34 9.281 3.487 -8.046 1.00 0.00 C ATOM 0 H ALA A 34 8.700 2.312 -5.968 1.00 0.00 H new ATOM 0 HA ALA A 34 10.042 1.501 -8.314 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.743 3.880 -8.952 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.256 3.187 -8.262 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.278 4.259 -7.276 1.00 0.00 H new ATOM 538 N LYS A 35 12.008 2.537 -6.097 1.00 0.00 N ATOM 539 CA LYS A 35 13.389 2.876 -5.778 1.00 0.00 C ATOM 540 C LYS A 35 14.239 1.617 -5.613 1.00 0.00 C ATOM 541 O LYS A 35 15.464 1.670 -5.715 1.00 0.00 O ATOM 542 CB LYS A 35 13.444 3.710 -4.497 1.00 0.00 C ATOM 543 CG LYS A 35 14.485 4.816 -4.535 1.00 0.00 C ATOM 544 CD LYS A 35 13.856 6.161 -4.854 1.00 0.00 C ATOM 545 CE LYS A 35 14.913 7.226 -5.098 1.00 0.00 C ATOM 546 NZ LYS A 35 15.747 7.471 -3.890 1.00 0.00 N ATOM 0 H LYS A 35 11.459 2.204 -5.304 1.00 0.00 H new ATOM 0 HA LYS A 35 13.794 3.458 -6.606 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.464 4.151 -4.319 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.656 3.052 -3.654 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.995 4.870 -3.573 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.241 4.580 -5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.222 6.067 -5.736 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.212 6.468 -4.029 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.554 6.918 -5.924 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.429 8.155 -5.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.410 8.250 -4.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.133 7.724 -3.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.282 6.610 -3.657 1.00 0.00 H new ATOM 560 N THR A 36 13.585 0.483 -5.367 1.00 0.00 N ATOM 561 CA THR A 36 14.293 -0.783 -5.198 1.00 0.00 C ATOM 562 C THR A 36 13.319 -1.926 -4.934 1.00 0.00 C ATOM 563 O THR A 36 12.129 -1.702 -4.706 1.00 0.00 O ATOM 564 CB THR A 36 15.299 -0.683 -4.049 1.00 0.00 C ATOM 565 OG1 THR A 36 15.990 -1.909 -3.880 1.00 0.00 O ATOM 566 CG2 THR A 36 14.661 -0.329 -2.722 1.00 0.00 C ATOM 0 H THR A 36 12.571 0.416 -5.281 1.00 0.00 H new ATOM 0 HA THR A 36 14.828 -0.992 -6.125 1.00 0.00 H new ATOM 0 HB THR A 36 15.980 0.120 -4.331 1.00 0.00 H new ATOM 0 HG1 THR A 36 16.630 -1.825 -3.142 1.00 0.00 H new ATOM 0 HG21 THR A 36 15.430 -0.275 -1.952 1.00 0.00 H new ATOM 0 HG22 THR A 36 14.161 0.636 -2.805 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.932 -1.093 -2.453 1.00 0.00 H new ATOM 574 N SER A 37 13.836 -3.153 -4.959 1.00 0.00 N ATOM 575 CA SER A 37 13.017 -4.338 -4.714 1.00 0.00 C ATOM 576 C SER A 37 13.087 -4.746 -3.245 1.00 0.00 C ATOM 577 O SER A 37 13.040 -5.930 -2.910 1.00 0.00 O ATOM 578 CB SER A 37 13.481 -5.495 -5.599 1.00 0.00 C ATOM 579 OG SER A 37 13.844 -5.034 -6.890 1.00 0.00 O ATOM 0 H SER A 37 14.819 -3.352 -5.147 1.00 0.00 H new ATOM 0 HA SER A 37 11.983 -4.096 -4.959 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.332 -5.994 -5.135 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.685 -6.235 -5.684 1.00 0.00 H new ATOM 0 HG SER A 37 14.139 -5.792 -7.437 1.00 0.00 H new ATOM 585 N ASN A 38 13.190 -3.747 -2.378 1.00 0.00 N ATOM 586 CA ASN A 38 13.256 -3.973 -0.941 1.00 0.00 C ATOM 587 C ASN A 38 11.864 -4.255 -0.377 1.00 0.00 C ATOM 588 O ASN A 38 11.080 -3.333 -0.151 1.00 0.00 O ATOM 589 CB ASN A 38 13.876 -2.759 -0.251 1.00 0.00 C ATOM 590 CG ASN A 38 14.542 -3.111 1.064 1.00 0.00 C ATOM 591 OD1 ASN A 38 14.334 -4.194 1.609 1.00 0.00 O ATOM 592 ND2 ASN A 38 15.350 -2.191 1.580 1.00 0.00 N ATOM 0 H ASN A 38 13.230 -2.764 -2.649 1.00 0.00 H new ATOM 0 HA ASN A 38 13.883 -4.844 -0.752 1.00 0.00 H new ATOM 0 HB2 ASN A 38 14.611 -2.304 -0.916 1.00 0.00 H new ATOM 0 HB3 ASN A 38 13.102 -2.012 -0.073 1.00 0.00 H new ATOM 0 HD21 ASN A 38 15.828 -2.369 2.463 1.00 0.00 H new ATOM 0 HD22 ASN A 38 15.493 -1.306 1.093 1.00 0.00 H new ATOM 599 N GLU A 39 11.558 -5.532 -0.169 1.00 0.00 N ATOM 600 CA GLU A 39 10.252 -5.934 0.352 1.00 0.00 C ATOM 601 C GLU A 39 9.966 -5.304 1.710 1.00 0.00 C ATOM 602 O GLU A 39 8.812 -5.048 2.051 1.00 0.00 O ATOM 603 CB GLU A 39 10.171 -7.458 0.464 1.00 0.00 C ATOM 604 CG GLU A 39 9.420 -8.108 -0.683 1.00 0.00 C ATOM 605 CD GLU A 39 9.884 -9.526 -0.952 1.00 0.00 C ATOM 606 OE1 GLU A 39 11.107 -9.774 -0.882 1.00 0.00 O ATOM 607 OE2 GLU A 39 9.025 -10.389 -1.228 1.00 0.00 O ATOM 0 H GLU A 39 12.195 -6.307 -0.353 1.00 0.00 H new ATOM 0 HA GLU A 39 9.498 -5.579 -0.350 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.181 -7.866 0.505 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.683 -7.720 1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.354 -8.115 -0.457 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.551 -7.509 -1.584 1.00 0.00 H new ATOM 614 N GLU A 40 11.017 -5.052 2.480 1.00 0.00 N ATOM 615 CA GLU A 40 10.859 -4.449 3.796 1.00 0.00 C ATOM 616 C GLU A 40 10.667 -2.944 3.677 1.00 0.00 C ATOM 617 O GLU A 40 10.092 -2.312 4.554 1.00 0.00 O ATOM 618 CB GLU A 40 12.070 -4.756 4.680 1.00 0.00 C ATOM 619 CG GLU A 40 12.049 -6.156 5.273 1.00 0.00 C ATOM 620 CD GLU A 40 12.493 -6.184 6.721 1.00 0.00 C ATOM 621 OE1 GLU A 40 12.273 -5.180 7.430 1.00 0.00 O ATOM 622 OE2 GLU A 40 13.059 -7.213 7.148 1.00 0.00 O ATOM 0 H GLU A 40 11.982 -5.254 2.218 1.00 0.00 H new ATOM 0 HA GLU A 40 9.971 -4.878 4.260 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.980 -4.633 4.092 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.113 -4.028 5.490 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.040 -6.563 5.199 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.698 -6.805 4.685 1.00 0.00 H new ATOM 629 N ALA A 41 11.159 -2.375 2.588 1.00 0.00 N ATOM 630 CA ALA A 41 11.046 -0.942 2.353 1.00 0.00 C ATOM 631 C ALA A 41 9.672 -0.548 1.828 1.00 0.00 C ATOM 632 O ALA A 41 8.892 0.106 2.519 1.00 0.00 O ATOM 633 CB ALA A 41 12.113 -0.498 1.378 1.00 0.00 C ATOM 0 H ALA A 41 11.643 -2.885 1.849 1.00 0.00 H new ATOM 0 HA ALA A 41 11.184 -0.442 3.312 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.024 0.575 1.205 1.00 0.00 H new ATOM 0 HB2 ALA A 41 13.097 -0.719 1.790 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.987 -1.029 0.434 1.00 0.00 H new ATOM 639 N ALA A 42 9.394 -0.940 0.590 1.00 0.00 N ATOM 640 CA ALA A 42 8.132 -0.622 -0.055 1.00 0.00 C ATOM 641 C ALA A 42 6.954 -1.203 0.713 1.00 0.00 C ATOM 642 O ALA A 42 5.893 -0.585 0.793 1.00 0.00 O ATOM 643 CB ALA A 42 8.135 -1.127 -1.490 1.00 0.00 C ATOM 0 H ALA A 42 10.034 -1.483 0.011 1.00 0.00 H new ATOM 0 HA ALA A 42 8.020 0.462 -0.061 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.184 -0.883 -1.964 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.947 -0.653 -2.041 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.276 -2.208 -1.495 1.00 0.00 H new ATOM 649 N GLY A 43 7.145 -2.385 1.285 1.00 0.00 N ATOM 650 CA GLY A 43 6.084 -3.011 2.043 1.00 0.00 C ATOM 651 C GLY A 43 5.796 -2.274 3.332 1.00 0.00 C ATOM 652 O GLY A 43 4.677 -2.315 3.842 1.00 0.00 O ATOM 0 H GLY A 43 8.013 -2.918 1.237 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.179 -3.048 1.437 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.359 -4.041 2.268 1.00 0.00 H new ATOM 656 N LYS A 44 6.807 -1.589 3.861 1.00 0.00 N ATOM 657 CA LYS A 44 6.639 -0.836 5.098 1.00 0.00 C ATOM 658 C LYS A 44 5.818 0.422 4.861 1.00 0.00 C ATOM 659 O LYS A 44 4.739 0.592 5.429 1.00 0.00 O ATOM 660 CB LYS A 44 7.994 -0.460 5.702 1.00 0.00 C ATOM 661 CG LYS A 44 8.109 -0.811 7.179 1.00 0.00 C ATOM 662 CD LYS A 44 8.864 -2.114 7.397 1.00 0.00 C ATOM 663 CE LYS A 44 7.920 -3.256 7.737 1.00 0.00 C ATOM 664 NZ LYS A 44 7.233 -3.784 6.527 1.00 0.00 N ATOM 0 H LYS A 44 7.742 -1.541 3.456 1.00 0.00 H new ATOM 0 HA LYS A 44 6.108 -1.478 5.801 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.784 -0.970 5.151 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.157 0.610 5.576 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.619 -0.004 7.705 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.112 -0.893 7.611 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.429 -2.363 6.499 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.587 -1.986 8.203 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.479 -4.059 8.217 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.177 -2.911 8.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.208 -3.632 6.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.585 -3.288 5.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.425 -4.802 6.435 1.00 0.00 H new ATOM 678 N ILE A 45 6.344 1.311 4.028 1.00 0.00 N ATOM 679 CA ILE A 45 5.665 2.561 3.729 1.00 0.00 C ATOM 680 C ILE A 45 4.298 2.316 3.105 1.00 0.00 C ATOM 681 O ILE A 45 3.358 3.077 3.335 1.00 0.00 O ATOM 682 CB ILE A 45 6.506 3.461 2.812 1.00 0.00 C ATOM 683 CG1 ILE A 45 6.773 2.796 1.464 1.00 0.00 C ATOM 684 CG2 ILE A 45 7.817 3.830 3.493 1.00 0.00 C ATOM 685 CD1 ILE A 45 7.647 3.642 0.563 1.00 0.00 C ATOM 0 H ILE A 45 7.236 1.188 3.550 1.00 0.00 H new ATOM 0 HA ILE A 45 5.526 3.077 4.679 1.00 0.00 H new ATOM 0 HB ILE A 45 5.936 4.371 2.624 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.252 1.831 1.627 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.824 2.600 0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.403 4.468 2.832 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.608 4.363 4.420 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.380 2.923 3.715 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.806 3.123 -0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.158 4.598 0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.608 3.816 1.047 1.00 0.00 H new ATOM 697 N THR A 46 4.180 1.240 2.338 1.00 0.00 N ATOM 698 CA THR A 46 2.906 0.898 1.714 1.00 0.00 C ATOM 699 C THR A 46 1.852 0.667 2.795 1.00 0.00 C ATOM 700 O THR A 46 0.679 0.993 2.614 1.00 0.00 O ATOM 701 CB THR A 46 3.047 -0.345 0.826 1.00 0.00 C ATOM 702 OG1 THR A 46 3.804 -0.049 -0.334 1.00 0.00 O ATOM 703 CG2 THR A 46 1.720 -0.917 0.362 1.00 0.00 C ATOM 0 H THR A 46 4.942 0.594 2.134 1.00 0.00 H new ATOM 0 HA THR A 46 2.593 1.727 1.079 1.00 0.00 H new ATOM 0 HB THR A 46 3.544 -1.084 1.454 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.705 -0.423 -0.241 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.899 -1.793 -0.261 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.124 -1.204 1.229 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.182 -0.165 -0.216 1.00 0.00 H new ATOM 711 N GLY A 47 2.287 0.113 3.927 1.00 0.00 N ATOM 712 CA GLY A 47 1.374 -0.136 5.025 1.00 0.00 C ATOM 713 C GLY A 47 0.778 1.148 5.563 1.00 0.00 C ATOM 714 O GLY A 47 -0.371 1.172 6.000 1.00 0.00 O ATOM 0 H GLY A 47 3.253 -0.166 4.100 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.574 -0.796 4.690 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.901 -0.655 5.825 1.00 0.00 H new ATOM 718 N MET A 48 1.557 2.226 5.510 1.00 0.00 N ATOM 719 CA MET A 48 1.087 3.524 5.974 1.00 0.00 C ATOM 720 C MET A 48 0.035 4.058 5.011 1.00 0.00 C ATOM 721 O MET A 48 -0.976 4.626 5.427 1.00 0.00 O ATOM 722 CB MET A 48 2.249 4.512 6.090 1.00 0.00 C ATOM 723 CG MET A 48 2.901 4.521 7.463 1.00 0.00 C ATOM 724 SD MET A 48 4.639 5.000 7.401 1.00 0.00 S ATOM 725 CE MET A 48 5.429 3.395 7.329 1.00 0.00 C ATOM 0 H MET A 48 2.512 2.224 5.152 1.00 0.00 H new ATOM 0 HA MET A 48 0.644 3.405 6.963 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.001 4.266 5.341 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.888 5.515 5.861 1.00 0.00 H new ATOM 0 HG2 MET A 48 2.361 5.209 8.113 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.817 3.530 7.908 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.365 3.475 6.777 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.633 3.044 8.341 1.00 0.00 H new ATOM 0 HE3 MET A 48 4.770 2.687 6.825 1.00 0.00 H new ATOM 735 N ILE A 49 0.270 3.841 3.719 1.00 0.00 N ATOM 736 CA ILE A 49 -0.665 4.267 2.687 1.00 0.00 C ATOM 737 C ILE A 49 -1.784 3.236 2.526 1.00 0.00 C ATOM 738 O ILE A 49 -2.674 3.391 1.689 1.00 0.00 O ATOM 739 CB ILE A 49 0.046 4.465 1.333 1.00 0.00 C ATOM 740 CG1 ILE A 49 1.299 5.322 1.512 1.00 0.00 C ATOM 741 CG2 ILE A 49 -0.896 5.105 0.321 1.00 0.00 C ATOM 742 CD1 ILE A 49 2.362 5.065 0.468 1.00 0.00 C ATOM 0 H ILE A 49 1.103 3.371 3.364 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.088 5.221 3.000 1.00 0.00 H new ATOM 0 HB ILE A 49 0.344 3.488 0.954 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.017 6.374 1.480 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.719 5.135 2.500 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.376 5.236 -0.628 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.763 4.461 0.173 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.224 6.076 0.692 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.221 5.708 0.658 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.673 4.021 0.514 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.959 5.280 -0.522 1.00 0.00 H new ATOM 754 N LEU A 50 -1.740 2.193 3.356 1.00 0.00 N ATOM 755 CA LEU A 50 -2.753 1.147 3.329 1.00 0.00 C ATOM 756 C LEU A 50 -4.069 1.659 3.916 1.00 0.00 C ATOM 757 O LEU A 50 -5.030 0.904 4.067 1.00 0.00 O ATOM 758 CB LEU A 50 -2.272 -0.079 4.109 1.00 0.00 C ATOM 759 CG LEU A 50 -2.429 -1.415 3.382 1.00 0.00 C ATOM 760 CD1 LEU A 50 -3.901 -1.743 3.176 1.00 0.00 C ATOM 761 CD2 LEU A 50 -1.694 -1.382 2.049 1.00 0.00 C ATOM 0 H LEU A 50 -1.011 2.054 4.055 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.923 0.860 2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.220 0.059 4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.820 -0.129 5.050 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.989 -2.199 3.999 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.992 -2.697 2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.398 -1.807 4.144 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.368 -0.960 2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.815 -2.340 1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.106 -0.588 1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.634 -1.194 2.222 1.00 0.00 H new ATOM 773 N ASP A 51 -4.112 2.951 4.234 1.00 0.00 N ATOM 774 CA ASP A 51 -5.310 3.558 4.786 1.00 0.00 C ATOM 775 C ASP A 51 -6.356 3.771 3.695 1.00 0.00 C ATOM 776 O ASP A 51 -7.543 3.911 3.986 1.00 0.00 O ATOM 777 CB ASP A 51 -4.973 4.893 5.454 1.00 0.00 C ATOM 778 CG ASP A 51 -5.826 5.156 6.678 1.00 0.00 C ATOM 779 OD1 ASP A 51 -7.050 4.915 6.612 1.00 0.00 O ATOM 780 OD2 ASP A 51 -5.271 5.600 7.706 1.00 0.00 O ATOM 0 H ASP A 51 -3.329 3.594 4.117 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.720 2.882 5.536 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.921 4.898 5.739 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.113 5.701 4.736 1.00 0.00 H new ATOM 785 N LEU A 52 -5.913 3.784 2.436 1.00 0.00 N ATOM 786 CA LEU A 52 -6.832 3.968 1.320 1.00 0.00 C ATOM 787 C LEU A 52 -7.450 2.626 0.920 1.00 0.00 C ATOM 788 O LEU A 52 -6.733 1.697 0.546 1.00 0.00 O ATOM 789 CB LEU A 52 -6.105 4.585 0.119 1.00 0.00 C ATOM 790 CG LEU A 52 -5.545 5.998 0.328 1.00 0.00 C ATOM 791 CD1 LEU A 52 -6.589 6.919 0.939 1.00 0.00 C ATOM 792 CD2 LEU A 52 -4.299 5.958 1.199 1.00 0.00 C ATOM 0 H LEU A 52 -4.935 3.670 2.169 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.624 4.647 1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.282 3.927 -0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.794 4.610 -0.725 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.274 6.396 -0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.163 7.913 1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.452 6.982 0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.902 6.523 1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.918 6.970 1.335 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.548 5.530 2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.538 5.345 0.717 1.00 0.00 H new ATOM 804 N PRO A 53 -8.788 2.497 1.003 1.00 0.00 N ATOM 805 CA PRO A 53 -9.482 1.251 0.653 1.00 0.00 C ATOM 806 C PRO A 53 -9.004 0.679 -0.681 1.00 0.00 C ATOM 807 O PRO A 53 -8.314 1.355 -1.440 1.00 0.00 O ATOM 808 CB PRO A 53 -10.949 1.676 0.576 1.00 0.00 C ATOM 809 CG PRO A 53 -11.051 2.831 1.512 1.00 0.00 C ATOM 810 CD PRO A 53 -9.727 3.545 1.446 1.00 0.00 C ATOM 0 HA PRO A 53 -9.298 0.457 1.376 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.227 1.961 -0.439 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.614 0.865 0.873 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.866 3.495 1.223 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -11.260 2.492 2.527 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.756 4.379 0.745 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -9.443 3.953 2.416 1.00 0.00 H new ATOM 818 N PRO A 54 -9.360 -0.586 -0.978 1.00 0.00 N ATOM 819 CA PRO A 54 -8.954 -1.257 -2.221 1.00 0.00 C ATOM 820 C PRO A 54 -9.224 -0.412 -3.466 1.00 0.00 C ATOM 821 O PRO A 54 -8.297 -0.006 -4.163 1.00 0.00 O ATOM 822 CB PRO A 54 -9.802 -2.528 -2.227 1.00 0.00 C ATOM 823 CG PRO A 54 -10.086 -2.803 -0.790 1.00 0.00 C ATOM 824 CD PRO A 54 -10.176 -1.462 -0.116 1.00 0.00 C ATOM 0 HA PRO A 54 -7.881 -1.446 -2.250 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.723 -2.386 -2.792 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -9.268 -3.358 -2.691 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.017 -3.359 -0.677 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.296 -3.409 -0.346 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.207 -1.114 -0.052 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.788 -1.498 0.902 1.00 0.00 H new ATOM 832 N GLN A 55 -10.493 -0.153 -3.747 1.00 0.00 N ATOM 833 CA GLN A 55 -10.861 0.657 -4.906 1.00 0.00 C ATOM 834 C GLN A 55 -10.621 2.141 -4.626 1.00 0.00 C ATOM 835 O GLN A 55 -10.155 2.881 -5.491 1.00 0.00 O ATOM 836 CB GLN A 55 -12.322 0.428 -5.286 1.00 0.00 C ATOM 837 CG GLN A 55 -12.723 -1.038 -5.286 1.00 0.00 C ATOM 838 CD GLN A 55 -13.394 -1.459 -6.579 1.00 0.00 C ATOM 839 OE1 GLN A 55 -13.056 -0.966 -7.657 1.00 0.00 O ATOM 840 NE2 GLN A 55 -14.349 -2.375 -6.479 1.00 0.00 N ATOM 0 H GLN A 55 -11.282 -0.488 -3.195 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.231 0.351 -5.742 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.960 0.972 -4.590 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.502 0.846 -6.276 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.838 -1.653 -5.123 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.399 -1.226 -4.452 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.597 -2.756 -5.566 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -14.835 -2.698 -7.315 1.00 0.00 H new ATOM 849 N GLU A 56 -10.962 2.569 -3.412 1.00 0.00 N ATOM 850 CA GLU A 56 -10.807 3.967 -3.004 1.00 0.00 C ATOM 851 C GLU A 56 -9.352 4.437 -3.084 1.00 0.00 C ATOM 852 O GLU A 56 -9.088 5.640 -3.076 1.00 0.00 O ATOM 853 CB GLU A 56 -11.338 4.164 -1.583 1.00 0.00 C ATOM 854 CG GLU A 56 -11.451 5.625 -1.172 1.00 0.00 C ATOM 855 CD GLU A 56 -12.884 6.055 -0.917 1.00 0.00 C ATOM 856 OE1 GLU A 56 -13.611 5.318 -0.221 1.00 0.00 O ATOM 857 OE2 GLU A 56 -13.276 7.133 -1.413 1.00 0.00 O ATOM 0 H GLU A 56 -11.350 1.964 -2.688 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.387 4.572 -3.701 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.319 3.696 -1.502 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.680 3.648 -0.883 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.861 5.791 -0.271 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.022 6.252 -1.954 1.00 0.00 H new ATOM 864 N VAL A 57 -8.414 3.498 -3.166 1.00 0.00 N ATOM 865 CA VAL A 57 -6.997 3.851 -3.254 1.00 0.00 C ATOM 866 C VAL A 57 -6.562 3.997 -4.709 1.00 0.00 C ATOM 867 O VAL A 57 -5.634 4.743 -5.021 1.00 0.00 O ATOM 868 CB VAL A 57 -6.104 2.807 -2.550 1.00 0.00 C ATOM 869 CG1 VAL A 57 -6.245 1.443 -3.201 1.00 0.00 C ATOM 870 CG2 VAL A 57 -4.646 3.253 -2.540 1.00 0.00 C ATOM 0 H VAL A 57 -8.604 2.496 -3.174 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.875 4.807 -2.745 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.439 2.724 -1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.605 0.726 -2.686 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.283 1.115 -3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.948 1.507 -4.248 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.039 2.500 -2.038 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.296 3.377 -3.565 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.559 4.201 -2.010 1.00 0.00 H new ATOM 880 N PHE A 58 -7.239 3.270 -5.595 1.00 0.00 N ATOM 881 CA PHE A 58 -6.935 3.295 -7.029 1.00 0.00 C ATOM 882 C PHE A 58 -6.627 4.711 -7.544 1.00 0.00 C ATOM 883 O PHE A 58 -5.533 4.957 -8.052 1.00 0.00 O ATOM 884 CB PHE A 58 -8.094 2.701 -7.836 1.00 0.00 C ATOM 885 CG PHE A 58 -8.212 1.208 -7.760 1.00 0.00 C ATOM 886 CD1 PHE A 58 -7.536 0.482 -6.794 1.00 0.00 C ATOM 887 CD2 PHE A 58 -9.018 0.531 -8.662 1.00 0.00 C ATOM 888 CE1 PHE A 58 -7.660 -0.892 -6.730 1.00 0.00 C ATOM 889 CE2 PHE A 58 -9.145 -0.839 -8.603 1.00 0.00 C ATOM 890 CZ PHE A 58 -8.467 -1.551 -7.637 1.00 0.00 C ATOM 0 H PHE A 58 -8.009 2.650 -5.344 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.039 2.690 -7.166 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -9.027 3.144 -7.486 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.977 2.990 -8.881 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -6.905 0.995 -6.083 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -9.553 1.084 -9.420 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.128 -1.449 -5.973 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -9.775 -1.355 -9.313 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.567 -2.625 -7.589 1.00 0.00 H new ATOM 900 N PRO A 59 -7.583 5.662 -7.441 1.00 0.00 N ATOM 901 CA PRO A 59 -7.371 7.033 -7.927 1.00 0.00 C ATOM 902 C PRO A 59 -6.138 7.690 -7.320 1.00 0.00 C ATOM 903 O PRO A 59 -5.549 8.594 -7.913 1.00 0.00 O ATOM 904 CB PRO A 59 -8.634 7.777 -7.484 1.00 0.00 C ATOM 905 CG PRO A 59 -9.667 6.719 -7.320 1.00 0.00 C ATOM 906 CD PRO A 59 -8.932 5.489 -6.864 1.00 0.00 C ATOM 0 HA PRO A 59 -7.202 7.049 -9.004 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.468 8.315 -6.550 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -8.939 8.514 -8.227 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -10.419 7.018 -6.589 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -10.190 6.535 -8.259 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.898 5.421 -5.777 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -9.410 4.578 -7.225 1.00 0.00 H new ATOM 914 N LEU A 60 -5.758 7.239 -6.134 1.00 0.00 N ATOM 915 CA LEU A 60 -4.600 7.788 -5.445 1.00 0.00 C ATOM 916 C LEU A 60 -3.305 7.202 -5.993 1.00 0.00 C ATOM 917 O LEU A 60 -2.378 7.931 -6.347 1.00 0.00 O ATOM 918 CB LEU A 60 -4.700 7.504 -3.944 1.00 0.00 C ATOM 919 CG LEU A 60 -3.398 7.700 -3.153 1.00 0.00 C ATOM 920 CD1 LEU A 60 -3.527 8.858 -2.184 1.00 0.00 C ATOM 921 CD2 LEU A 60 -3.018 6.425 -2.414 1.00 0.00 C ATOM 0 H LEU A 60 -6.236 6.493 -5.628 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.587 8.865 -5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.466 8.152 -3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.039 6.477 -3.807 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.604 7.934 -3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.593 8.978 -1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.744 9.772 -2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.337 8.657 -1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.093 6.587 -1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.814 6.156 -1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.875 5.617 -3.132 1.00 0.00 H new ATOM 933 N LEU A 61 -3.242 5.879 -6.027 1.00 0.00 N ATOM 934 CA LEU A 61 -2.053 5.177 -6.493 1.00 0.00 C ATOM 935 C LEU A 61 -1.787 5.377 -7.988 1.00 0.00 C ATOM 936 O LEU A 61 -0.774 4.899 -8.503 1.00 0.00 O ATOM 937 CB LEU A 61 -2.172 3.685 -6.195 1.00 0.00 C ATOM 938 CG LEU A 61 -3.508 3.052 -6.581 1.00 0.00 C ATOM 939 CD1 LEU A 61 -3.465 2.540 -8.009 1.00 0.00 C ATOM 940 CD2 LEU A 61 -3.857 1.931 -5.620 1.00 0.00 C ATOM 0 H LEU A 61 -4.004 5.267 -5.736 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.209 5.605 -5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.374 3.161 -6.720 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.008 3.529 -5.129 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.284 3.815 -6.518 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.426 2.093 -8.264 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.259 3.369 -8.687 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.680 1.790 -8.103 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.811 1.489 -5.907 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.079 1.168 -5.653 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.932 2.329 -4.608 1.00 0.00 H new ATOM 952 N GLU A 62 -2.682 6.068 -8.691 1.00 0.00 N ATOM 953 CA GLU A 62 -2.496 6.292 -10.122 1.00 0.00 C ATOM 954 C GLU A 62 -2.043 7.725 -10.408 1.00 0.00 C ATOM 955 O GLU A 62 -1.601 8.034 -11.515 1.00 0.00 O ATOM 956 CB GLU A 62 -3.788 5.986 -10.885 1.00 0.00 C ATOM 957 CG GLU A 62 -4.956 6.874 -10.492 1.00 0.00 C ATOM 958 CD GLU A 62 -5.547 7.619 -11.674 1.00 0.00 C ATOM 959 OE1 GLU A 62 -5.616 7.029 -12.772 1.00 0.00 O ATOM 960 OE2 GLU A 62 -5.942 8.791 -11.501 1.00 0.00 O ATOM 0 H GLU A 62 -3.531 6.477 -8.300 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.713 5.615 -10.464 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.603 6.096 -11.953 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.062 4.945 -10.715 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.731 6.264 -10.028 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.625 7.593 -9.743 1.00 0.00 H new ATOM 967 N SER A 63 -2.144 8.596 -9.408 1.00 0.00 N ATOM 968 CA SER A 63 -1.733 9.985 -9.564 1.00 0.00 C ATOM 969 C SER A 63 -0.454 10.253 -8.777 1.00 0.00 C ATOM 970 O SER A 63 -0.404 10.033 -7.567 1.00 0.00 O ATOM 971 CB SER A 63 -2.842 10.927 -9.098 1.00 0.00 C ATOM 972 OG SER A 63 -3.260 11.779 -10.149 1.00 0.00 O ATOM 0 H SER A 63 -2.506 8.364 -8.483 1.00 0.00 H new ATOM 0 HA SER A 63 -1.540 10.169 -10.621 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.690 10.345 -8.738 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.487 11.526 -8.259 1.00 0.00 H new ATOM 0 HG SER A 63 -3.971 12.371 -9.827 1.00 0.00 H new ATOM 978 N ASP A 64 0.576 10.721 -9.472 1.00 0.00 N ATOM 979 CA ASP A 64 1.857 11.011 -8.838 1.00 0.00 C ATOM 980 C ASP A 64 1.698 12.031 -7.715 1.00 0.00 C ATOM 981 O ASP A 64 2.182 11.823 -6.602 1.00 0.00 O ATOM 982 CB ASP A 64 2.856 11.529 -9.877 1.00 0.00 C ATOM 983 CG ASP A 64 2.963 10.616 -11.082 1.00 0.00 C ATOM 984 OD1 ASP A 64 3.057 9.386 -10.889 1.00 0.00 O ATOM 985 OD2 ASP A 64 2.954 11.133 -12.219 1.00 0.00 O ATOM 0 H ASP A 64 0.549 10.908 -10.474 1.00 0.00 H new ATOM 0 HA ASP A 64 2.236 10.085 -8.406 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.553 12.524 -10.204 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.837 11.631 -9.414 1.00 0.00 H new ATOM 990 N GLU A 65 1.024 13.138 -8.015 1.00 0.00 N ATOM 991 CA GLU A 65 0.808 14.195 -7.030 1.00 0.00 C ATOM 992 C GLU A 65 0.079 13.658 -5.801 1.00 0.00 C ATOM 993 O GLU A 65 0.527 13.845 -4.668 1.00 0.00 O ATOM 994 CB GLU A 65 0.012 15.342 -7.654 1.00 0.00 C ATOM 995 CG GLU A 65 0.816 16.166 -8.645 1.00 0.00 C ATOM 996 CD GLU A 65 -0.010 17.248 -9.314 1.00 0.00 C ATOM 997 OE1 GLU A 65 -0.829 16.909 -10.195 1.00 0.00 O ATOM 998 OE2 GLU A 65 0.163 18.433 -8.958 1.00 0.00 O ATOM 0 H GLU A 65 0.618 13.327 -8.932 1.00 0.00 H new ATOM 0 HA GLU A 65 1.782 14.568 -6.712 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.864 14.934 -8.158 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.352 15.995 -6.861 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.659 16.625 -8.129 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.230 15.507 -9.408 1.00 0.00 H new ATOM 1005 N LEU A 66 -1.045 12.988 -6.032 1.00 0.00 N ATOM 1006 CA LEU A 66 -1.835 12.418 -4.947 1.00 0.00 C ATOM 1007 C LEU A 66 -1.004 11.425 -4.143 1.00 0.00 C ATOM 1008 O LEU A 66 -1.187 11.277 -2.935 1.00 0.00 O ATOM 1009 CB LEU A 66 -3.083 11.735 -5.515 1.00 0.00 C ATOM 1010 CG LEU A 66 -4.404 12.160 -4.875 1.00 0.00 C ATOM 1011 CD1 LEU A 66 -4.340 11.994 -3.369 1.00 0.00 C ATOM 1012 CD2 LEU A 66 -4.737 13.600 -5.241 1.00 0.00 C ATOM 0 H LEU A 66 -1.430 12.826 -6.963 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.145 13.222 -4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.134 11.938 -6.585 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.972 10.657 -5.400 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.196 11.517 -5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.289 12.301 -2.928 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.148 10.949 -3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.537 12.613 -2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.681 13.885 -4.776 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.944 14.258 -4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.824 13.689 -6.324 1.00 0.00 H new ATOM 1024 N PHE A 67 -0.089 10.747 -4.825 1.00 0.00 N ATOM 1025 CA PHE A 67 0.778 9.769 -4.182 1.00 0.00 C ATOM 1026 C PHE A 67 1.873 10.457 -3.379 1.00 0.00 C ATOM 1027 O PHE A 67 2.092 10.138 -2.214 1.00 0.00 O ATOM 1028 CB PHE A 67 1.411 8.847 -5.225 1.00 0.00 C ATOM 1029 CG PHE A 67 1.732 7.475 -4.701 1.00 0.00 C ATOM 1030 CD1 PHE A 67 0.737 6.519 -4.585 1.00 0.00 C ATOM 1031 CD2 PHE A 67 3.026 7.137 -4.327 1.00 0.00 C ATOM 1032 CE1 PHE A 67 1.021 5.255 -4.108 1.00 0.00 C ATOM 1033 CE2 PHE A 67 3.316 5.874 -3.848 1.00 0.00 C ATOM 1034 CZ PHE A 67 2.311 4.931 -3.740 1.00 0.00 C ATOM 0 H PHE A 67 0.072 10.857 -5.826 1.00 0.00 H new ATOM 0 HA PHE A 67 0.165 9.176 -3.503 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.733 8.753 -6.074 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.326 9.308 -5.597 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.275 6.765 -4.872 1.00 0.00 H new ATOM 0 HD2 PHE A 67 3.815 7.870 -4.412 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.234 4.520 -4.023 1.00 0.00 H new ATOM 0 HE2 PHE A 67 4.326 5.624 -3.558 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.535 3.942 -3.368 1.00 0.00 H new ATOM 1044 N GLU A 68 2.567 11.400 -4.014 1.00 0.00 N ATOM 1045 CA GLU A 68 3.652 12.133 -3.361 1.00 0.00 C ATOM 1046 C GLU A 68 3.281 12.522 -1.932 1.00 0.00 C ATOM 1047 O GLU A 68 4.045 12.284 -0.999 1.00 0.00 O ATOM 1048 CB GLU A 68 4.005 13.389 -4.163 1.00 0.00 C ATOM 1049 CG GLU A 68 4.625 13.090 -5.518 1.00 0.00 C ATOM 1050 CD GLU A 68 5.908 13.863 -5.760 1.00 0.00 C ATOM 1051 OE1 GLU A 68 6.822 13.774 -4.913 1.00 0.00 O ATOM 1052 OE2 GLU A 68 6.000 14.552 -6.797 1.00 0.00 O ATOM 0 H GLU A 68 2.397 11.675 -4.981 1.00 0.00 H new ATOM 0 HA GLU A 68 4.519 11.473 -3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.103 13.983 -4.309 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.697 13.998 -3.582 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.830 12.022 -5.591 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.907 13.331 -6.302 1.00 0.00 H new ATOM 1059 N GLN A 69 2.102 13.114 -1.771 1.00 0.00 N ATOM 1060 CA GLN A 69 1.624 13.538 -0.457 1.00 0.00 C ATOM 1061 C GLN A 69 1.553 12.360 0.514 1.00 0.00 C ATOM 1062 O GLN A 69 2.181 12.375 1.572 1.00 0.00 O ATOM 1063 CB GLN A 69 0.246 14.190 -0.584 1.00 0.00 C ATOM 1064 CG GLN A 69 0.293 15.606 -1.138 1.00 0.00 C ATOM 1065 CD GLN A 69 -0.344 16.620 -0.208 1.00 0.00 C ATOM 1066 OE1 GLN A 69 -1.119 17.474 -0.639 1.00 0.00 O ATOM 1067 NE2 GLN A 69 -0.016 16.531 1.076 1.00 0.00 N ATOM 0 H GLN A 69 1.457 13.312 -2.536 1.00 0.00 H new ATOM 0 HA GLN A 69 2.333 14.264 -0.060 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.379 13.576 -1.232 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.231 14.208 0.396 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.331 15.887 -1.319 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.217 15.632 -2.101 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.631 15.807 1.388 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.411 17.187 1.750 1.00 0.00 H new ATOM 1076 N HIS A 70 0.777 11.347 0.148 1.00 0.00 N ATOM 1077 CA HIS A 70 0.618 10.168 0.993 1.00 0.00 C ATOM 1078 C HIS A 70 1.954 9.448 1.153 1.00 0.00 C ATOM 1079 O HIS A 70 2.397 9.178 2.269 1.00 0.00 O ATOM 1080 CB HIS A 70 -0.433 9.224 0.401 1.00 0.00 C ATOM 1081 CG HIS A 70 -1.765 9.318 1.082 1.00 0.00 C ATOM 1082 ND1 HIS A 70 -2.028 8.737 2.304 1.00 0.00 N ATOM 1083 CD2 HIS A 70 -2.914 9.936 0.710 1.00 0.00 C ATOM 1084 CE1 HIS A 70 -3.277 8.993 2.656 1.00 0.00 C ATOM 1085 NE2 HIS A 70 -3.833 9.721 1.706 1.00 0.00 N ATOM 0 H HIS A 70 0.250 11.317 -0.725 1.00 0.00 H new ATOM 0 HA HIS A 70 0.277 10.488 1.977 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.558 9.449 -0.658 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.070 8.199 0.469 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -3.075 10.494 -0.201 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.759 8.663 3.564 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.792 10.068 1.711 1.00 0.00 H new ATOM 1093 N TYR A 71 2.592 9.147 0.030 1.00 0.00 N ATOM 1094 CA TYR A 71 3.882 8.468 0.033 1.00 0.00 C ATOM 1095 C TYR A 71 4.945 9.309 0.753 1.00 0.00 C ATOM 1096 O TYR A 71 6.004 8.797 1.117 1.00 0.00 O ATOM 1097 CB TYR A 71 4.300 8.158 -1.413 1.00 0.00 C ATOM 1098 CG TYR A 71 5.793 8.087 -1.649 1.00 0.00 C ATOM 1099 CD1 TYR A 71 6.574 7.114 -1.039 1.00 0.00 C ATOM 1100 CD2 TYR A 71 6.416 8.992 -2.499 1.00 0.00 C ATOM 1101 CE1 TYR A 71 7.937 7.048 -1.269 1.00 0.00 C ATOM 1102 CE2 TYR A 71 7.775 8.931 -2.736 1.00 0.00 C ATOM 1103 CZ TYR A 71 8.531 7.959 -2.119 1.00 0.00 C ATOM 1104 OH TYR A 71 9.886 7.894 -2.355 1.00 0.00 O ATOM 0 H TYR A 71 2.235 9.364 -0.901 1.00 0.00 H new ATOM 0 HA TYR A 71 3.790 7.530 0.580 1.00 0.00 H new ATOM 0 HB2 TYR A 71 3.856 7.207 -1.707 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.880 8.922 -2.068 1.00 0.00 H new ATOM 0 HD1 TYR A 71 6.111 6.399 -0.376 1.00 0.00 H new ATOM 0 HD2 TYR A 71 5.827 9.757 -2.983 1.00 0.00 H new ATOM 0 HE1 TYR A 71 8.533 6.288 -0.786 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.243 9.642 -3.402 1.00 0.00 H new ATOM 0 HH TYR A 71 10.144 8.606 -2.977 1.00 0.00 H new ATOM 1114 N LYS A 72 4.657 10.594 0.969 1.00 0.00 N ATOM 1115 CA LYS A 72 5.596 11.476 1.659 1.00 0.00 C ATOM 1116 C LYS A 72 5.729 11.072 3.121 1.00 0.00 C ATOM 1117 O LYS A 72 6.820 10.756 3.593 1.00 0.00 O ATOM 1118 CB LYS A 72 5.147 12.940 1.570 1.00 0.00 C ATOM 1119 CG LYS A 72 6.181 13.935 2.078 1.00 0.00 C ATOM 1120 CD LYS A 72 6.086 14.135 3.585 1.00 0.00 C ATOM 1121 CE LYS A 72 4.988 15.121 3.949 1.00 0.00 C ATOM 1122 NZ LYS A 72 4.707 15.123 5.412 1.00 0.00 N ATOM 0 H LYS A 72 3.788 11.043 0.678 1.00 0.00 H new ATOM 0 HA LYS A 72 6.564 11.378 1.168 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.911 13.175 0.532 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.227 13.063 2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.180 13.583 1.821 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.041 14.892 1.575 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.891 13.178 4.068 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.041 14.496 3.966 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.280 16.123 3.634 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.078 14.868 3.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.747 14.761 5.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.397 14.516 5.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.781 16.094 5.778 1.00 0.00 H new ATOM 1136 N GLU A 73 4.607 11.084 3.838 1.00 0.00 N ATOM 1137 CA GLU A 73 4.605 10.715 5.250 1.00 0.00 C ATOM 1138 C GLU A 73 5.277 9.366 5.441 1.00 0.00 C ATOM 1139 O GLU A 73 6.008 9.152 6.408 1.00 0.00 O ATOM 1140 CB GLU A 73 3.174 10.674 5.792 1.00 0.00 C ATOM 1141 CG GLU A 73 2.826 11.861 6.674 1.00 0.00 C ATOM 1142 CD GLU A 73 1.676 12.682 6.124 1.00 0.00 C ATOM 1143 OE1 GLU A 73 0.775 12.093 5.489 1.00 0.00 O ATOM 1144 OE2 GLU A 73 1.674 13.915 6.328 1.00 0.00 O ATOM 0 H GLU A 73 3.693 11.344 3.466 1.00 0.00 H new ATOM 0 HA GLU A 73 5.164 11.468 5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.478 10.637 4.954 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.036 9.755 6.362 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.568 11.504 7.671 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.704 12.499 6.781 1.00 0.00 H new ATOM 1151 N ALA A 74 5.038 8.462 4.499 1.00 0.00 N ATOM 1152 CA ALA A 74 5.630 7.140 4.547 1.00 0.00 C ATOM 1153 C ALA A 74 7.113 7.218 4.204 1.00 0.00 C ATOM 1154 O ALA A 74 7.946 6.572 4.841 1.00 0.00 O ATOM 1155 CB ALA A 74 4.900 6.213 3.592 1.00 0.00 C ATOM 0 H ALA A 74 4.436 8.625 3.692 1.00 0.00 H new ATOM 0 HA ALA A 74 5.535 6.739 5.556 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.350 5.221 3.633 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.851 6.148 3.879 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.975 6.604 2.577 1.00 0.00 H new ATOM 1161 N SER A 75 7.436 8.034 3.201 1.00 0.00 N ATOM 1162 CA SER A 75 8.820 8.219 2.782 1.00 0.00 C ATOM 1163 C SER A 75 9.697 8.519 3.995 1.00 0.00 C ATOM 1164 O SER A 75 10.690 7.837 4.237 1.00 0.00 O ATOM 1165 CB SER A 75 8.921 9.338 1.745 1.00 0.00 C ATOM 1166 OG SER A 75 10.237 9.856 1.677 1.00 0.00 O ATOM 0 H SER A 75 6.757 8.576 2.666 1.00 0.00 H new ATOM 0 HA SER A 75 9.175 7.299 2.318 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.626 8.959 0.767 1.00 0.00 H new ATOM 0 HB3 SER A 75 8.225 10.138 2.000 1.00 0.00 H new ATOM 0 HG SER A 75 10.274 10.569 1.005 1.00 0.00 H new ATOM 1172 N ALA A 76 9.319 9.535 4.767 1.00 0.00 N ATOM 1173 CA ALA A 76 10.072 9.896 5.967 1.00 0.00 C ATOM 1174 C ALA A 76 10.359 8.650 6.807 1.00 0.00 C ATOM 1175 O ALA A 76 11.468 8.457 7.304 1.00 0.00 O ATOM 1176 CB ALA A 76 9.306 10.923 6.789 1.00 0.00 C ATOM 0 H ALA A 76 8.503 10.119 4.586 1.00 0.00 H new ATOM 0 HA ALA A 76 11.020 10.337 5.661 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.882 11.180 7.678 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.143 11.820 6.191 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.344 10.506 7.087 1.00 0.00 H new ATOM 1182 N ALA A 77 9.345 7.796 6.932 1.00 0.00 N ATOM 1183 CA ALA A 77 9.471 6.546 7.681 1.00 0.00 C ATOM 1184 C ALA A 77 10.313 5.546 6.895 1.00 0.00 C ATOM 1185 O ALA A 77 10.968 4.675 7.467 1.00 0.00 O ATOM 1186 CB ALA A 77 8.097 5.963 7.976 1.00 0.00 C ATOM 0 H ALA A 77 8.423 7.947 6.523 1.00 0.00 H new ATOM 0 HA ALA A 77 9.968 6.755 8.628 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.208 5.033 8.534 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.519 6.674 8.567 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.577 5.764 7.039 1.00 0.00 H new ATOM 1192 N TYR A 78 10.297 5.704 5.575 1.00 0.00 N ATOM 1193 CA TYR A 78 11.064 4.851 4.676 1.00 0.00 C ATOM 1194 C TYR A 78 12.521 4.784 5.125 1.00 0.00 C ATOM 1195 O TYR A 78 13.069 3.704 5.348 1.00 0.00 O ATOM 1196 CB TYR A 78 10.985 5.411 3.251 1.00 0.00 C ATOM 1197 CG TYR A 78 11.296 4.420 2.155 1.00 0.00 C ATOM 1198 CD1 TYR A 78 12.310 3.482 2.299 1.00 0.00 C ATOM 1199 CD2 TYR A 78 10.575 4.431 0.966 1.00 0.00 C ATOM 1200 CE1 TYR A 78 12.595 2.587 1.294 1.00 0.00 C ATOM 1201 CE2 TYR A 78 10.853 3.536 -0.049 1.00 0.00 C ATOM 1202 CZ TYR A 78 11.866 2.614 0.121 1.00 0.00 C ATOM 1203 OH TYR A 78 12.155 1.722 -0.884 1.00 0.00 O ATOM 0 H TYR A 78 9.753 6.425 5.100 1.00 0.00 H new ATOM 0 HA TYR A 78 10.646 3.845 4.696 1.00 0.00 H new ATOM 0 HB2 TYR A 78 9.983 5.807 3.088 1.00 0.00 H new ATOM 0 HB3 TYR A 78 11.676 6.250 3.168 1.00 0.00 H new ATOM 0 HD1 TYR A 78 12.883 3.455 3.214 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.783 5.153 0.834 1.00 0.00 H new ATOM 0 HE1 TYR A 78 13.387 1.864 1.422 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.283 3.558 -0.966 1.00 0.00 H new ATOM 0 HH TYR A 78 11.550 1.873 -1.640 1.00 0.00 H new ATOM 1213 N GLU A 79 13.135 5.955 5.257 1.00 0.00 N ATOM 1214 CA GLU A 79 14.529 6.057 5.675 1.00 0.00 C ATOM 1215 C GLU A 79 14.743 5.434 7.051 1.00 0.00 C ATOM 1216 O GLU A 79 15.768 4.808 7.307 1.00 0.00 O ATOM 1217 CB GLU A 79 14.966 7.522 5.697 1.00 0.00 C ATOM 1218 CG GLU A 79 15.275 8.083 4.319 1.00 0.00 C ATOM 1219 CD GLU A 79 14.382 9.253 3.950 1.00 0.00 C ATOM 1220 OE1 GLU A 79 14.068 10.064 4.846 1.00 0.00 O ATOM 1221 OE2 GLU A 79 13.999 9.356 2.766 1.00 0.00 O ATOM 0 H GLU A 79 12.685 6.853 5.079 1.00 0.00 H new ATOM 0 HA GLU A 79 15.135 5.508 4.954 1.00 0.00 H new ATOM 0 HB2 GLU A 79 14.179 8.121 6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 79 15.850 7.620 6.327 1.00 0.00 H new ATOM 0 HG2 GLU A 79 16.317 8.402 4.286 1.00 0.00 H new ATOM 0 HG3 GLU A 79 15.159 7.294 3.576 1.00 0.00 H new ATOM 1228 N SER A 80 13.773 5.617 7.939 1.00 0.00 N ATOM 1229 CA SER A 80 13.868 5.082 9.286 1.00 0.00 C ATOM 1230 C SER A 80 14.049 3.566 9.269 1.00 0.00 C ATOM 1231 O SER A 80 14.900 3.024 9.974 1.00 0.00 O ATOM 1232 CB SER A 80 12.622 5.455 10.095 1.00 0.00 C ATOM 1233 OG SER A 80 12.917 6.457 11.053 1.00 0.00 O ATOM 0 H SER A 80 12.913 6.132 7.748 1.00 0.00 H new ATOM 0 HA SER A 80 14.746 5.522 9.760 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.841 5.809 9.423 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.233 4.570 10.598 1.00 0.00 H new ATOM 0 HG SER A 80 12.105 6.679 11.555 1.00 0.00 H new ATOM 1239 N PHE A 81 13.239 2.885 8.467 1.00 0.00 N ATOM 1240 CA PHE A 81 13.305 1.433 8.368 1.00 0.00 C ATOM 1241 C PHE A 81 14.555 0.964 7.624 1.00 0.00 C ATOM 1242 O PHE A 81 15.300 0.119 8.121 1.00 0.00 O ATOM 1243 CB PHE A 81 12.048 0.896 7.689 1.00 0.00 C ATOM 1244 CG PHE A 81 10.855 0.878 8.601 1.00 0.00 C ATOM 1245 CD1 PHE A 81 10.709 -0.121 9.551 1.00 0.00 C ATOM 1246 CD2 PHE A 81 9.885 1.863 8.517 1.00 0.00 C ATOM 1247 CE1 PHE A 81 9.618 -0.137 10.398 1.00 0.00 C ATOM 1248 CE2 PHE A 81 8.790 1.851 9.360 1.00 0.00 C ATOM 1249 CZ PHE A 81 8.657 0.849 10.302 1.00 0.00 C ATOM 0 H PHE A 81 12.528 3.316 7.876 1.00 0.00 H new ATOM 0 HA PHE A 81 13.365 1.036 9.382 1.00 0.00 H new ATOM 0 HB2 PHE A 81 11.823 1.508 6.816 1.00 0.00 H new ATOM 0 HB3 PHE A 81 12.239 -0.115 7.329 1.00 0.00 H new ATOM 0 HD1 PHE A 81 11.457 -0.896 9.630 1.00 0.00 H new ATOM 0 HD2 PHE A 81 9.986 2.650 7.784 1.00 0.00 H new ATOM 0 HE1 PHE A 81 9.517 -0.920 11.135 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.039 2.624 9.283 1.00 0.00 H new ATOM 0 HZ PHE A 81 7.802 0.837 10.962 1.00 0.00 H new ATOM 1259 N LYS A 82 14.778 1.504 6.428 1.00 0.00 N ATOM 1260 CA LYS A 82 15.935 1.118 5.625 1.00 0.00 C ATOM 1261 C LYS A 82 17.249 1.423 6.348 1.00 0.00 C ATOM 1262 O LYS A 82 18.274 0.798 6.073 1.00 0.00 O ATOM 1263 CB LYS A 82 15.914 1.824 4.268 1.00 0.00 C ATOM 1264 CG LYS A 82 15.802 3.331 4.364 1.00 0.00 C ATOM 1265 CD LYS A 82 17.170 3.992 4.390 1.00 0.00 C ATOM 1266 CE LYS A 82 17.554 4.541 3.025 1.00 0.00 C ATOM 1267 NZ LYS A 82 19.026 4.720 2.891 1.00 0.00 N ATOM 0 H LYS A 82 14.177 2.206 5.996 1.00 0.00 H new ATOM 0 HA LYS A 82 15.874 0.041 5.468 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.823 1.571 3.723 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.076 1.443 3.684 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.231 3.709 3.516 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.250 3.599 5.265 1.00 0.00 H new ATOM 0 HD2 LYS A 82 17.170 4.801 5.121 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.918 3.269 4.715 1.00 0.00 H new ATOM 0 HE2 LYS A 82 17.199 3.864 2.249 1.00 0.00 H new ATOM 0 HE3 LYS A 82 17.056 5.498 2.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 19.245 5.096 1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 19.362 5.386 3.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 19.500 3.803 3.017 1.00 0.00 H new ATOM 1281 N LYS A 83 17.217 2.389 7.264 1.00 0.00 N ATOM 1282 CA LYS A 83 18.412 2.778 8.013 1.00 0.00 C ATOM 1283 C LYS A 83 18.653 1.856 9.206 1.00 0.00 C ATOM 1284 O LYS A 83 19.798 1.594 9.574 1.00 0.00 O ATOM 1285 CB LYS A 83 18.294 4.226 8.494 1.00 0.00 C ATOM 1286 CG LYS A 83 18.563 5.254 7.408 1.00 0.00 C ATOM 1287 CD LYS A 83 18.641 6.663 7.977 1.00 0.00 C ATOM 1288 CE LYS A 83 19.749 7.470 7.317 1.00 0.00 C ATOM 1289 NZ LYS A 83 19.597 8.931 7.566 1.00 0.00 N ATOM 0 H LYS A 83 16.378 2.917 7.506 1.00 0.00 H new ATOM 0 HA LYS A 83 19.263 2.690 7.338 1.00 0.00 H new ATOM 0 HB2 LYS A 83 17.293 4.386 8.894 1.00 0.00 H new ATOM 0 HB3 LYS A 83 18.994 4.385 9.314 1.00 0.00 H new ATOM 0 HG2 LYS A 83 19.498 5.013 6.902 1.00 0.00 H new ATOM 0 HG3 LYS A 83 17.773 5.207 6.658 1.00 0.00 H new ATOM 0 HD2 LYS A 83 17.686 7.168 7.833 1.00 0.00 H new ATOM 0 HD3 LYS A 83 18.816 6.613 9.052 1.00 0.00 H new ATOM 0 HE2 LYS A 83 20.715 7.136 7.695 1.00 0.00 H new ATOM 0 HE3 LYS A 83 19.744 7.282 6.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 20.371 9.445 7.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 18.686 9.255 7.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 19.627 9.114 8.589 1.00 0.00 H new ATOM 1303 N GLU A 84 17.573 1.372 9.810 1.00 0.00 N ATOM 1304 CA GLU A 84 17.672 0.488 10.967 1.00 0.00 C ATOM 1305 C GLU A 84 17.901 -0.965 10.552 1.00 0.00 C ATOM 1306 O GLU A 84 17.446 -1.889 11.226 1.00 0.00 O ATOM 1307 CB GLU A 84 16.401 0.596 11.810 1.00 0.00 C ATOM 1308 CG GLU A 84 15.160 0.065 11.112 1.00 0.00 C ATOM 1309 CD GLU A 84 14.092 -0.397 12.086 1.00 0.00 C ATOM 1310 OE1 GLU A 84 14.436 -1.111 13.051 1.00 0.00 O ATOM 1311 OE2 GLU A 84 12.910 -0.046 11.882 1.00 0.00 O ATOM 0 H GLU A 84 16.618 1.577 9.517 1.00 0.00 H new ATOM 0 HA GLU A 84 18.533 0.803 11.556 1.00 0.00 H new ATOM 0 HB2 GLU A 84 16.546 0.049 12.742 1.00 0.00 H new ATOM 0 HB3 GLU A 84 16.239 1.641 12.076 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.748 0.844 10.470 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.440 -0.766 10.465 1.00 0.00 H new ATOM 1318 N GLN A 85 18.615 -1.163 9.447 1.00 0.00 N ATOM 1319 CA GLN A 85 18.906 -2.502 8.954 1.00 0.00 C ATOM 1320 C GLN A 85 19.955 -3.177 9.832 1.00 0.00 C ATOM 1321 O GLN A 85 20.603 -2.528 10.652 1.00 0.00 O ATOM 1322 CB GLN A 85 19.401 -2.439 7.507 1.00 0.00 C ATOM 1323 CG GLN A 85 18.334 -2.791 6.484 1.00 0.00 C ATOM 1324 CD GLN A 85 17.896 -4.239 6.569 1.00 0.00 C ATOM 1325 OE1 GLN A 85 18.690 -5.122 6.892 1.00 0.00 O ATOM 1326 NE2 GLN A 85 16.623 -4.492 6.282 1.00 0.00 N ATOM 0 H GLN A 85 19.002 -0.411 8.877 1.00 0.00 H new ATOM 0 HA GLN A 85 17.988 -3.088 8.989 1.00 0.00 H new ATOM 0 HB2 GLN A 85 19.772 -1.435 7.302 1.00 0.00 H new ATOM 0 HB3 GLN A 85 20.244 -3.120 7.390 1.00 0.00 H new ATOM 0 HG2 GLN A 85 17.469 -2.145 6.631 1.00 0.00 H new ATOM 0 HG3 GLN A 85 18.716 -2.590 5.483 1.00 0.00 H new ATOM 0 HE21 GLN A 85 15.998 -3.730 6.019 1.00 0.00 H new ATOM 0 HE22 GLN A 85 16.271 -5.448 6.325 1.00 0.00 H new ATOM 1335 N GLU A 86 20.121 -4.482 9.649 1.00 0.00 N ATOM 1336 CA GLU A 86 21.096 -5.242 10.423 1.00 0.00 C ATOM 1337 C GLU A 86 22.447 -5.272 9.718 1.00 0.00 C ATOM 1338 O GLU A 86 23.487 -5.460 10.352 1.00 0.00 O ATOM 1339 CB GLU A 86 20.592 -6.669 10.649 1.00 0.00 C ATOM 1340 CG GLU A 86 20.337 -7.433 9.359 1.00 0.00 C ATOM 1341 CD GLU A 86 21.317 -8.571 9.150 1.00 0.00 C ATOM 1342 OE1 GLU A 86 21.450 -9.416 10.059 1.00 0.00 O ATOM 1343 OE2 GLU A 86 21.951 -8.617 8.073 1.00 0.00 O ATOM 0 H GLU A 86 19.594 -5.035 8.973 1.00 0.00 H new ATOM 0 HA GLU A 86 21.223 -4.750 11.387 1.00 0.00 H new ATOM 0 HB2 GLU A 86 21.323 -7.214 11.246 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.670 -6.633 11.229 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.322 -7.830 9.371 1.00 0.00 H new ATOM 0 HG3 GLU A 86 20.400 -6.745 8.516 1.00 0.00 H new ATOM 1350 N GLN A 87 22.425 -5.084 8.404 1.00 0.00 N ATOM 1351 CA GLN A 87 23.648 -5.089 7.607 1.00 0.00 C ATOM 1352 C GLN A 87 24.352 -3.739 7.681 1.00 0.00 C ATOM 1353 O GLN A 87 25.575 -3.658 7.570 1.00 0.00 O ATOM 1354 CB GLN A 87 23.328 -5.437 6.151 1.00 0.00 C ATOM 1355 CG GLN A 87 24.017 -6.701 5.660 1.00 0.00 C ATOM 1356 CD GLN A 87 23.156 -7.495 4.697 1.00 0.00 C ATOM 1357 OE1 GLN A 87 23.568 -7.786 3.574 1.00 0.00 O ATOM 1358 NE2 GLN A 87 21.951 -7.846 5.132 1.00 0.00 N ATOM 0 H GLN A 87 21.573 -4.926 7.866 1.00 0.00 H new ATOM 0 HA GLN A 87 24.317 -5.846 8.015 1.00 0.00 H new ATOM 0 HB2 GLN A 87 22.250 -5.556 6.043 1.00 0.00 H new ATOM 0 HB3 GLN A 87 23.622 -4.603 5.514 1.00 0.00 H new ATOM 0 HG2 GLN A 87 24.953 -6.434 5.170 1.00 0.00 H new ATOM 0 HG3 GLN A 87 24.273 -7.327 6.515 1.00 0.00 H new ATOM 0 HE21 GLN A 87 21.651 -7.583 6.071 1.00 0.00 H new ATOM 0 HE22 GLN A 87 21.326 -8.379 4.527 1.00 0.00 H new ATOM 1367 N GLN A 88 23.572 -2.680 7.867 1.00 0.00 N ATOM 1368 CA GLN A 88 24.121 -1.331 7.952 1.00 0.00 C ATOM 1369 C GLN A 88 24.375 -0.936 9.405 1.00 0.00 C ATOM 1370 O GLN A 88 23.507 -1.095 10.262 1.00 0.00 O ATOM 1371 CB GLN A 88 23.169 -0.328 7.295 1.00 0.00 C ATOM 1372 CG GLN A 88 23.805 0.462 6.162 1.00 0.00 C ATOM 1373 CD GLN A 88 23.005 0.385 4.877 1.00 0.00 C ATOM 1374 OE1 GLN A 88 22.761 1.399 4.224 1.00 0.00 O ATOM 1375 NE2 GLN A 88 22.589 -0.822 4.511 1.00 0.00 N ATOM 0 H GLN A 88 22.558 -2.729 7.962 1.00 0.00 H new ATOM 0 HA GLN A 88 25.073 -1.319 7.421 1.00 0.00 H new ATOM 0 HB2 GLN A 88 22.300 -0.862 6.911 1.00 0.00 H new ATOM 0 HB3 GLN A 88 22.807 0.367 8.053 1.00 0.00 H new ATOM 0 HG2 GLN A 88 23.904 1.505 6.462 1.00 0.00 H new ATOM 0 HG3 GLN A 88 24.812 0.085 5.982 1.00 0.00 H new ATOM 0 HE21 GLN A 88 22.815 -1.635 5.084 1.00 0.00 H new ATOM 0 HE22 GLN A 88 22.043 -0.936 3.657 1.00 0.00 H new ATOM 1384 N THR A 89 25.571 -0.420 9.672 1.00 0.00 N ATOM 1385 CA THR A 89 25.940 0.001 11.019 1.00 0.00 C ATOM 1386 C THR A 89 26.045 1.521 11.103 1.00 0.00 C ATOM 1387 O THR A 89 27.116 2.093 10.904 1.00 0.00 O ATOM 1388 CB THR A 89 27.269 -0.637 11.434 1.00 0.00 C ATOM 1389 OG1 THR A 89 27.694 -0.153 12.698 1.00 0.00 O ATOM 1390 CG2 THR A 89 28.390 -0.380 10.449 1.00 0.00 C ATOM 0 H THR A 89 26.301 -0.283 8.973 1.00 0.00 H new ATOM 0 HA THR A 89 25.158 -0.332 11.702 1.00 0.00 H new ATOM 0 HB THR A 89 27.070 -1.708 11.469 1.00 0.00 H new ATOM 0 HG1 THR A 89 28.544 -0.576 12.942 1.00 0.00 H new ATOM 0 HG21 THR A 89 29.303 -0.859 10.803 1.00 0.00 H new ATOM 0 HG22 THR A 89 28.120 -0.789 9.475 1.00 0.00 H new ATOM 0 HG23 THR A 89 28.556 0.694 10.358 1.00 0.00 H new ATOM 1398 N GLU A 90 24.922 2.170 11.399 1.00 0.00 N ATOM 1399 CA GLU A 90 24.883 3.625 11.509 1.00 0.00 C ATOM 1400 C GLU A 90 25.710 4.103 12.699 1.00 0.00 C ATOM 1401 O GLU A 90 25.891 3.373 13.674 1.00 0.00 O ATOM 1402 CB GLU A 90 23.436 4.104 11.649 1.00 0.00 C ATOM 1403 CG GLU A 90 23.286 5.619 11.642 1.00 0.00 C ATOM 1404 CD GLU A 90 23.361 6.206 10.245 1.00 0.00 C ATOM 1405 OE1 GLU A 90 24.481 6.305 9.701 1.00 0.00 O ATOM 1406 OE2 GLU A 90 22.298 6.571 9.698 1.00 0.00 O ATOM 0 H GLU A 90 24.027 1.711 11.567 1.00 0.00 H new ATOM 0 HA GLU A 90 25.313 4.048 10.601 1.00 0.00 H new ATOM 0 HB2 GLU A 90 22.845 3.686 10.834 1.00 0.00 H new ATOM 0 HB3 GLU A 90 23.022 3.712 12.578 1.00 0.00 H new ATOM 0 HG2 GLU A 90 22.332 5.888 12.094 1.00 0.00 H new ATOM 0 HG3 GLU A 90 24.068 6.061 12.260 1.00 0.00 H new ATOM 1413 N GLN A 91 26.208 5.334 12.616 1.00 0.00 N ATOM 1414 CA GLN A 91 27.013 5.912 13.688 1.00 0.00 C ATOM 1415 C GLN A 91 26.119 6.493 14.784 1.00 0.00 C ATOM 1416 O GLN A 91 26.257 7.659 15.158 1.00 0.00 O ATOM 1417 CB GLN A 91 27.933 7.001 13.131 1.00 0.00 C ATOM 1418 CG GLN A 91 29.161 6.457 12.419 1.00 0.00 C ATOM 1419 CD GLN A 91 30.357 7.383 12.532 1.00 0.00 C ATOM 1420 OE1 GLN A 91 30.881 7.866 11.528 1.00 0.00 O ATOM 1421 NE2 GLN A 91 30.796 7.636 13.760 1.00 0.00 N ATOM 0 H GLN A 91 26.068 5.951 11.816 1.00 0.00 H new ATOM 0 HA GLN A 91 27.622 5.120 14.123 1.00 0.00 H new ATOM 0 HB2 GLN A 91 27.367 7.623 12.437 1.00 0.00 H new ATOM 0 HB3 GLN A 91 28.254 7.647 13.949 1.00 0.00 H new ATOM 0 HG2 GLN A 91 29.418 5.484 12.838 1.00 0.00 H new ATOM 0 HG3 GLN A 91 28.926 6.299 11.366 1.00 0.00 H new ATOM 0 HE21 GLN A 91 30.332 7.214 14.564 1.00 0.00 H new ATOM 0 HE22 GLN A 91 31.597 8.252 13.898 1.00 0.00 H new ATOM 1430 N ALA A 92 25.203 5.674 15.292 1.00 0.00 N ATOM 1431 CA ALA A 92 24.284 6.102 16.340 1.00 0.00 C ATOM 1432 C ALA A 92 24.806 5.719 17.720 1.00 0.00 C ATOM 1433 O ALA A 92 24.751 4.518 18.061 1.00 0.00 O ATOM 1434 CB ALA A 92 22.907 5.497 16.109 1.00 0.00 C ATOM 1435 OXT ALA A 92 25.264 6.622 18.450 1.00 0.00 O ATOM 0 H ALA A 92 25.078 4.707 14.993 1.00 0.00 H new ATOM 0 HA ALA A 92 24.206 7.188 16.300 1.00 0.00 H new ATOM 0 HB1 ALA A 92 22.229 5.824 16.898 1.00 0.00 H new ATOM 0 HB2 ALA A 92 22.523 5.824 15.142 1.00 0.00 H new ATOM 0 HB3 ALA A 92 22.981 4.410 16.121 1.00 0.00 H new TER 1441 ALA A 92