USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 995 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 8 TYR OH : rot -73:sc= 0.00361 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0.745 K(o=0.75,f=-0.6) USER MOD Single : A 13 THR OG1 : rot 97:sc= 0.99 USER MOD Single : A 16 THR OG1 : rot 96:sc= 0.799 USER MOD Single : A 17 SER OG : rot 129:sc= 1.2 USER MOD Single : A 20 ASN : amide:sc= -0.997 K(o=-1,f=-6.9!) USER MOD Single : A 26 ASN : amide:sc= -0.0947 X(o=-0.095,f=0) USER MOD Single : A 28 THR OG1 : rot -75:sc= 0.154 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0186 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.689 K(o=-0.69,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -162:sc= 1.25 (180deg=1.16) USER MOD Single : A 41 ASN : amide:sc= 0.702 K(o=0.7,f=-0.057) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -155:sc= 1.2 (180deg=0.998) USER MOD Single : A 50 MET CE :methyl 155:sc= -2.06 (180deg=-4.35!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 20:sc= 1.09 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -125:sc= 0.0445 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00489 USER MOD Single : A 61 LYS NZ :NH3+ -116:sc= 0.186 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.41 X(o=-1.4,f=-1.4) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0638 X(o=-0.064,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -159:sc= -0.137 (180deg=-0.798) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.0477 X(o=-0.048,f=-0.057) USER MOD Single : A 84 ASN : amide:sc= -0.0411 X(o=-0.041,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -148:sc= 0.299 (180deg=-0.267) USER MOD Single : A 93 TYR OH : rot -71:sc= -0.0197 USER MOD Single : A 98 MET CE :methyl 167:sc= -1.01 (180deg=-1.78!) USER MOD Single : A 102 GLN : amide:sc= 0.758 K(o=0.76,f=0) USER MOD Single : A 104 ASN : amide:sc= -0.0985 X(o=-0.098,f=-0.28) USER MOD Single : A 105 SER OG : rot -120:sc= -0.2 USER MOD Single : A 107 GLN : amide:sc= 0.639 K(o=0.64,f=-0.26) USER MOD Single : A 109 LYS NZ :NH3+ -176:sc= 0.935 (180deg=0.903) USER MOD Single : A 112 SER OG : rot 92:sc= 1.25 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 95:sc= 1.41 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 52:sc= 1.24 USER MOD Single : A 121 GLN : amide:sc= 0.614 K(o=0.61,f=-7.8!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N ALA A 4 -20.954 8.968 1.194 1.00 0.00 N ATOM 34 CA ALA A 4 -19.881 7.991 1.085 1.00 0.00 C ATOM 35 C ALA A 4 -19.871 7.330 -0.304 1.00 0.00 C ATOM 36 O ALA A 4 -20.301 6.180 -0.460 1.00 0.00 O ATOM 37 CB ALA A 4 -20.080 6.962 2.200 1.00 0.00 C ATOM 0 HA ALA A 4 -18.911 8.476 1.197 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -19.291 6.212 2.148 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -20.042 7.462 3.168 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -21.049 6.478 2.080 1.00 0.00 H new ATOM 43 N LEU A 5 -19.362 8.047 -1.310 1.00 0.00 N ATOM 44 CA LEU A 5 -19.094 7.480 -2.625 1.00 0.00 C ATOM 45 C LEU A 5 -18.158 6.280 -2.485 1.00 0.00 C ATOM 46 O LEU A 5 -17.284 6.288 -1.617 1.00 0.00 O ATOM 47 CB LEU A 5 -18.433 8.490 -3.578 1.00 0.00 C ATOM 48 CG LEU A 5 -19.162 9.809 -3.825 1.00 0.00 C ATOM 49 CD1 LEU A 5 -18.264 10.745 -4.641 1.00 0.00 C ATOM 50 CD2 LEU A 5 -20.434 9.520 -4.612 1.00 0.00 C ATOM 0 H LEU A 5 -19.126 9.036 -1.231 1.00 0.00 H new ATOM 0 HA LEU A 5 -20.056 7.188 -3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -17.442 8.722 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -18.290 8.000 -4.541 1.00 0.00 H new ATOM 0 HG LEU A 5 -19.407 10.283 -2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -18.784 11.686 -4.817 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -17.343 10.937 -4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -18.025 10.278 -5.597 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -20.967 10.453 -4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -20.176 9.055 -5.563 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -21.071 8.845 -4.040 1.00 0.00 H new ATOM 62 N PRO A 6 -18.291 5.268 -3.347 1.00 0.00 N ATOM 63 CA PRO A 6 -17.383 4.143 -3.367 1.00 0.00 C ATOM 64 C PRO A 6 -16.040 4.557 -3.982 1.00 0.00 C ATOM 65 O PRO A 6 -15.914 5.608 -4.610 1.00 0.00 O ATOM 66 CB PRO A 6 -18.106 3.096 -4.215 1.00 0.00 C ATOM 67 CG PRO A 6 -18.905 3.929 -5.219 1.00 0.00 C ATOM 68 CD PRO A 6 -19.230 5.212 -4.451 1.00 0.00 C ATOM 0 HA PRO A 6 -17.145 3.760 -2.374 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -17.402 2.432 -4.717 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -18.758 2.469 -3.607 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -18.325 4.137 -6.118 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -19.811 3.412 -5.537 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -19.129 6.087 -5.093 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -20.258 5.200 -4.088 1.00 0.00 H new ATOM 76 N LEU A 7 -15.044 3.691 -3.812 1.00 0.00 N ATOM 77 CA LEU A 7 -13.681 3.806 -4.328 1.00 0.00 C ATOM 78 C LEU A 7 -13.625 4.073 -5.838 1.00 0.00 C ATOM 79 O LEU A 7 -14.099 3.240 -6.609 1.00 0.00 O ATOM 80 CB LEU A 7 -12.962 2.494 -3.989 1.00 0.00 C ATOM 81 CG LEU A 7 -11.480 2.445 -4.377 1.00 0.00 C ATOM 82 CD1 LEU A 7 -10.654 3.354 -3.456 1.00 0.00 C ATOM 83 CD2 LEU A 7 -10.967 1.006 -4.260 1.00 0.00 C ATOM 0 H LEU A 7 -15.176 2.834 -3.275 1.00 0.00 H new ATOM 0 HA LEU A 7 -13.198 4.666 -3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -13.047 2.318 -2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.479 1.675 -4.488 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.376 2.793 -5.405 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.604 3.307 -3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -11.009 4.381 -3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.761 3.020 -2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.913 0.972 -4.536 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.084 0.660 -3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -11.538 0.361 -4.928 1.00 0.00 H new ATOM 95 N TYR A 8 -12.988 5.166 -6.265 1.00 0.00 N ATOM 96 CA TYR A 8 -12.769 5.488 -7.682 1.00 0.00 C ATOM 97 C TYR A 8 -11.305 5.378 -8.129 1.00 0.00 C ATOM 98 O TYR A 8 -11.048 5.522 -9.328 1.00 0.00 O ATOM 99 CB TYR A 8 -13.384 6.858 -8.042 1.00 0.00 C ATOM 100 CG TYR A 8 -13.320 7.938 -6.978 1.00 0.00 C ATOM 101 CD1 TYR A 8 -12.187 8.762 -6.851 1.00 0.00 C ATOM 102 CD2 TYR A 8 -14.427 8.141 -6.133 1.00 0.00 C ATOM 103 CE1 TYR A 8 -12.151 9.756 -5.856 1.00 0.00 C ATOM 104 CE2 TYR A 8 -14.407 9.124 -5.135 1.00 0.00 C ATOM 105 CZ TYR A 8 -13.249 9.918 -4.976 1.00 0.00 C ATOM 106 OH TYR A 8 -13.210 10.849 -3.986 1.00 0.00 O ATOM 0 H TYR A 8 -12.603 5.864 -5.629 1.00 0.00 H new ATOM 0 HA TYR A 8 -13.293 4.719 -8.249 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -12.883 7.231 -8.935 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.430 6.702 -8.305 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -11.346 8.632 -7.516 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -15.308 7.528 -6.256 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -11.286 10.396 -5.763 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -15.265 9.273 -4.496 1.00 0.00 H new ATOM 0 HH TYR A 8 -12.598 10.551 -3.281 1.00 0.00 H new ATOM 116 N TYR A 9 -10.356 5.094 -7.232 1.00 0.00 N ATOM 117 CA TYR A 9 -8.916 5.083 -7.507 1.00 0.00 C ATOM 118 C TYR A 9 -8.307 3.775 -6.991 1.00 0.00 C ATOM 119 O TYR A 9 -8.900 3.156 -6.112 1.00 0.00 O ATOM 120 CB TYR A 9 -8.307 6.307 -6.808 1.00 0.00 C ATOM 121 CG TYR A 9 -6.839 6.603 -7.060 1.00 0.00 C ATOM 122 CD1 TYR A 9 -6.398 6.987 -8.339 1.00 0.00 C ATOM 123 CD2 TYR A 9 -5.938 6.625 -5.980 1.00 0.00 C ATOM 124 CE1 TYR A 9 -5.081 7.442 -8.526 1.00 0.00 C ATOM 125 CE2 TYR A 9 -4.629 7.105 -6.149 1.00 0.00 C ATOM 126 CZ TYR A 9 -4.200 7.540 -7.422 1.00 0.00 C ATOM 127 OH TYR A 9 -2.945 8.055 -7.563 1.00 0.00 O ATOM 0 H TYR A 9 -10.576 4.858 -6.264 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.711 5.136 -8.576 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -8.882 7.184 -7.105 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -8.445 6.184 -5.734 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.073 6.932 -9.180 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.256 6.269 -5.011 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.741 7.717 -9.513 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.953 7.141 -5.308 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.487 8.043 -6.697 1.00 0.00 H new ATOM 137 N LEU A 10 -7.111 3.382 -7.450 1.00 0.00 N ATOM 138 CA LEU A 10 -6.202 2.587 -6.625 1.00 0.00 C ATOM 139 C LEU A 10 -4.761 2.932 -6.944 1.00 0.00 C ATOM 140 O LEU A 10 -4.358 2.875 -8.105 1.00 0.00 O ATOM 141 CB LEU A 10 -6.470 1.070 -6.693 1.00 0.00 C ATOM 142 CG LEU A 10 -6.111 0.284 -5.405 1.00 0.00 C ATOM 143 CD1 LEU A 10 -4.876 0.707 -4.631 1.00 0.00 C ATOM 144 CD2 LEU A 10 -7.233 0.254 -4.374 1.00 0.00 C ATOM 0 H LEU A 10 -6.756 3.601 -8.381 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.399 2.856 -5.587 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.525 0.912 -6.915 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.903 0.653 -7.525 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.916 -0.688 -5.857 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.756 0.066 -3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.998 0.617 -5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.986 1.742 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.910 -0.313 -3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.479 1.273 -4.075 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.114 -0.219 -4.808 1.00 0.00 H new ATOM 156 N GLN A 11 -3.967 3.262 -5.921 1.00 0.00 N ATOM 157 CA GLN A 11 -2.521 3.397 -6.052 1.00 0.00 C ATOM 158 C GLN A 11 -1.827 3.129 -4.704 1.00 0.00 C ATOM 159 O GLN A 11 -2.446 3.294 -3.647 1.00 0.00 O ATOM 160 CB GLN A 11 -2.256 4.809 -6.587 1.00 0.00 C ATOM 161 CG GLN A 11 -0.935 4.959 -7.349 1.00 0.00 C ATOM 162 CD GLN A 11 -0.906 4.422 -8.784 1.00 0.00 C ATOM 163 OE1 GLN A 11 0.049 4.680 -9.502 1.00 0.00 O ATOM 164 NE2 GLN A 11 -1.891 3.674 -9.255 1.00 0.00 N ATOM 0 H GLN A 11 -4.314 3.442 -4.979 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.108 2.663 -6.744 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.076 5.095 -7.246 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.261 5.508 -5.751 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.676 6.017 -7.376 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.154 4.454 -6.780 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.692 3.454 -8.663 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.849 3.318 -10.210 1.00 0.00 H new ATOM 173 N ILE A 12 -0.574 2.660 -4.726 1.00 0.00 N ATOM 174 CA ILE A 12 0.228 2.372 -3.526 1.00 0.00 C ATOM 175 C ILE A 12 0.624 3.650 -2.773 1.00 0.00 C ATOM 176 O ILE A 12 0.681 3.577 -1.555 1.00 0.00 O ATOM 177 CB ILE A 12 1.463 1.491 -3.845 1.00 0.00 C ATOM 178 CG1 ILE A 12 1.091 0.150 -4.533 1.00 0.00 C ATOM 179 CG2 ILE A 12 2.274 1.153 -2.568 1.00 0.00 C ATOM 180 CD1 ILE A 12 0.522 -0.958 -3.639 1.00 0.00 C ATOM 0 H ILE A 12 -0.077 2.465 -5.595 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.412 1.794 -2.859 1.00 0.00 H new ATOM 0 HB ILE A 12 2.062 2.091 -4.530 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.362 0.362 -5.315 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.983 -0.237 -5.025 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.131 0.534 -2.834 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.623 2.075 -2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.639 0.611 -1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.305 -1.838 -4.244 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.251 -1.216 -2.871 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.395 -0.608 -3.166 1.00 0.00 H new ATOM 192 N THR A 13 0.834 4.798 -3.430 1.00 0.00 N ATOM 193 CA THR A 13 1.177 6.108 -2.843 1.00 0.00 C ATOM 194 C THR A 13 2.546 6.168 -2.164 1.00 0.00 C ATOM 195 O THR A 13 3.392 6.950 -2.586 1.00 0.00 O ATOM 196 CB THR A 13 0.097 6.685 -1.904 1.00 0.00 C ATOM 197 OG1 THR A 13 -1.054 5.888 -1.798 1.00 0.00 O ATOM 198 CG2 THR A 13 -0.308 8.085 -2.340 1.00 0.00 C ATOM 0 H THR A 13 0.766 4.844 -4.447 1.00 0.00 H new ATOM 0 HA THR A 13 1.227 6.747 -3.725 1.00 0.00 H new ATOM 0 HB THR A 13 0.561 6.711 -0.918 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.988 5.322 -1.001 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.070 8.471 -1.663 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.563 8.740 -2.316 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.708 8.049 -3.353 1.00 0.00 H new ATOM 206 N GLY A 14 2.772 5.390 -1.113 1.00 0.00 N ATOM 207 CA GLY A 14 4.057 5.265 -0.437 1.00 0.00 C ATOM 208 C GLY A 14 4.205 3.865 0.134 1.00 0.00 C ATOM 209 O GLY A 14 3.219 3.148 0.309 1.00 0.00 O ATOM 0 H GLY A 14 2.044 4.811 -0.695 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.867 5.470 -1.136 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.131 6.003 0.362 1.00 0.00 H new ATOM 213 N ILE A 15 5.428 3.462 0.438 1.00 0.00 N ATOM 214 CA ILE A 15 5.788 2.131 0.918 1.00 0.00 C ATOM 215 C ILE A 15 7.073 2.342 1.730 1.00 0.00 C ATOM 216 O ILE A 15 7.839 3.256 1.433 1.00 0.00 O ATOM 217 CB ILE A 15 6.001 1.191 -0.291 1.00 0.00 C ATOM 218 CG1 ILE A 15 6.043 -0.284 0.138 1.00 0.00 C ATOM 219 CG2 ILE A 15 7.230 1.533 -1.154 1.00 0.00 C ATOM 220 CD1 ILE A 15 5.483 -1.259 -0.905 1.00 0.00 C ATOM 0 H ILE A 15 6.236 4.079 0.354 1.00 0.00 H new ATOM 0 HA ILE A 15 5.018 1.665 1.533 1.00 0.00 H new ATOM 0 HB ILE A 15 5.130 1.355 -0.925 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.075 -0.558 0.357 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.480 -0.397 1.064 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.304 0.824 -1.979 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.126 2.543 -1.551 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.131 1.474 -0.543 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.550 -2.278 -0.523 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.440 -1.015 -1.108 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.060 -1.178 -1.826 1.00 0.00 H new ATOM 232 N THR A 16 7.346 1.501 2.713 1.00 0.00 N ATOM 233 CA THR A 16 8.594 1.474 3.465 1.00 0.00 C ATOM 234 C THR A 16 8.673 0.126 4.198 1.00 0.00 C ATOM 235 O THR A 16 7.901 -0.795 3.918 1.00 0.00 O ATOM 236 CB THR A 16 8.713 2.734 4.355 1.00 0.00 C ATOM 237 OG1 THR A 16 10.032 2.885 4.831 1.00 0.00 O ATOM 238 CG2 THR A 16 7.750 2.792 5.543 1.00 0.00 C ATOM 0 H THR A 16 6.682 0.791 3.022 1.00 0.00 H new ATOM 0 HA THR A 16 9.471 1.528 2.819 1.00 0.00 H new ATOM 0 HB THR A 16 8.432 3.555 3.695 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.520 3.506 4.251 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.916 3.714 6.101 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.723 2.767 5.180 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.925 1.937 6.195 1.00 0.00 H new ATOM 246 N SER A 17 9.604 -0.019 5.130 1.00 0.00 N ATOM 247 CA SER A 17 9.687 -1.150 6.031 1.00 0.00 C ATOM 248 C SER A 17 10.427 -0.720 7.298 1.00 0.00 C ATOM 249 O SER A 17 11.006 0.371 7.353 1.00 0.00 O ATOM 250 CB SER A 17 10.368 -2.317 5.317 1.00 0.00 C ATOM 251 OG SER A 17 11.586 -1.957 4.706 1.00 0.00 O ATOM 0 H SER A 17 10.342 0.669 5.281 1.00 0.00 H new ATOM 0 HA SER A 17 8.695 -1.490 6.328 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.551 -3.117 6.034 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.693 -2.716 4.560 1.00 0.00 H new ATOM 0 HG SER A 17 12.288 -2.583 4.982 1.00 0.00 H new ATOM 257 N ASP A 18 10.435 -1.592 8.304 1.00 0.00 N ATOM 258 CA ASP A 18 11.161 -1.404 9.561 1.00 0.00 C ATOM 259 C ASP A 18 12.652 -1.176 9.277 1.00 0.00 C ATOM 260 O ASP A 18 13.243 -0.195 9.737 1.00 0.00 O ATOM 261 CB ASP A 18 10.909 -2.631 10.448 1.00 0.00 C ATOM 262 CG ASP A 18 11.425 -2.471 11.877 1.00 0.00 C ATOM 263 OD1 ASP A 18 11.054 -1.479 12.547 1.00 0.00 O ATOM 264 OD2 ASP A 18 12.068 -3.416 12.386 1.00 0.00 O ATOM 0 H ASP A 18 9.923 -2.473 8.268 1.00 0.00 H new ATOM 0 HA ASP A 18 10.808 -0.519 10.090 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.838 -2.833 10.478 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.385 -3.500 9.994 1.00 0.00 H new ATOM 269 N GLY A 19 13.234 -1.993 8.392 1.00 0.00 N ATOM 270 CA GLY A 19 14.627 -1.868 7.984 1.00 0.00 C ATOM 271 C GLY A 19 14.895 -0.706 7.016 1.00 0.00 C ATOM 272 O GLY A 19 16.038 -0.535 6.585 1.00 0.00 O ATOM 0 H GLY A 19 12.743 -2.764 7.939 1.00 0.00 H new ATOM 0 HA2 GLY A 19 15.244 -1.736 8.873 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.941 -2.799 7.513 1.00 0.00 H new ATOM 276 N ASN A 20 13.882 0.097 6.655 1.00 0.00 N ATOM 277 CA ASN A 20 14.035 1.249 5.754 1.00 0.00 C ATOM 278 C ASN A 20 13.975 2.574 6.509 1.00 0.00 C ATOM 279 O ASN A 20 14.045 3.629 5.881 1.00 0.00 O ATOM 280 CB ASN A 20 13.044 1.195 4.579 1.00 0.00 C ATOM 281 CG ASN A 20 13.606 0.311 3.476 1.00 0.00 C ATOM 282 OD1 ASN A 20 14.141 -0.753 3.749 1.00 0.00 O ATOM 283 ND2 ASN A 20 13.588 0.718 2.221 1.00 0.00 N ATOM 0 H ASN A 20 12.926 -0.037 6.983 1.00 0.00 H new ATOM 0 HA ASN A 20 15.032 1.186 5.319 1.00 0.00 H new ATOM 0 HB2 ASN A 20 12.084 0.805 4.918 1.00 0.00 H new ATOM 0 HB3 ASN A 20 12.863 2.200 4.197 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.017 0.146 1.493 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.145 1.604 1.979 1.00 0.00 H new ATOM 290 N ASP A 21 13.907 2.548 7.844 1.00 0.00 N ATOM 291 CA ASP A 21 13.895 3.736 8.707 1.00 0.00 C ATOM 292 C ASP A 21 12.678 4.620 8.430 1.00 0.00 C ATOM 293 O ASP A 21 12.769 5.850 8.433 1.00 0.00 O ATOM 294 CB ASP A 21 15.221 4.513 8.584 1.00 0.00 C ATOM 295 CG ASP A 21 15.372 5.606 9.638 1.00 0.00 C ATOM 296 OD1 ASP A 21 15.110 5.342 10.837 1.00 0.00 O ATOM 297 OD2 ASP A 21 15.828 6.722 9.278 1.00 0.00 O ATOM 0 H ASP A 21 13.857 1.675 8.370 1.00 0.00 H new ATOM 0 HA ASP A 21 13.807 3.403 9.741 1.00 0.00 H new ATOM 0 HB2 ASP A 21 16.054 3.815 8.670 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.282 4.961 7.592 1.00 0.00 H new ATOM 302 N PHE A 22 11.527 3.993 8.149 1.00 0.00 N ATOM 303 CA PHE A 22 10.261 4.664 7.842 1.00 0.00 C ATOM 304 C PHE A 22 10.383 5.653 6.666 1.00 0.00 C ATOM 305 O PHE A 22 9.561 6.566 6.556 1.00 0.00 O ATOM 306 CB PHE A 22 9.683 5.330 9.112 1.00 0.00 C ATOM 307 CG PHE A 22 9.161 4.391 10.185 1.00 0.00 C ATOM 308 CD1 PHE A 22 10.049 3.634 10.976 1.00 0.00 C ATOM 309 CD2 PHE A 22 7.776 4.319 10.435 1.00 0.00 C ATOM 310 CE1 PHE A 22 9.551 2.791 11.986 1.00 0.00 C ATOM 311 CE2 PHE A 22 7.279 3.493 11.458 1.00 0.00 C ATOM 312 CZ PHE A 22 8.168 2.722 12.225 1.00 0.00 C ATOM 0 H PHE A 22 11.452 2.976 8.129 1.00 0.00 H new ATOM 0 HA PHE A 22 9.555 3.902 7.510 1.00 0.00 H new ATOM 0 HB2 PHE A 22 10.458 5.956 9.553 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.871 5.992 8.812 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.113 3.701 10.806 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.092 4.902 9.837 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.232 2.197 12.578 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.218 3.451 11.654 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.787 2.074 13.001 1.00 0.00 H new ATOM 322 N ALA A 23 11.391 5.521 5.795 1.00 0.00 N ATOM 323 CA ALA A 23 11.513 6.280 4.555 1.00 0.00 C ATOM 324 C ALA A 23 10.366 5.875 3.617 1.00 0.00 C ATOM 325 O ALA A 23 10.471 4.846 2.943 1.00 0.00 O ATOM 326 CB ALA A 23 12.901 6.031 3.947 1.00 0.00 C ATOM 0 H ALA A 23 12.160 4.867 5.941 1.00 0.00 H new ATOM 0 HA ALA A 23 11.430 7.352 4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.999 6.596 3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.669 6.353 4.650 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.022 4.968 3.739 1.00 0.00 H new ATOM 332 N TRP A 24 9.243 6.598 3.681 1.00 0.00 N ATOM 333 CA TRP A 24 7.949 6.322 3.058 1.00 0.00 C ATOM 334 C TRP A 24 7.881 6.457 1.546 1.00 0.00 C ATOM 335 O TRP A 24 6.860 6.061 0.974 1.00 0.00 O ATOM 336 CB TRP A 24 6.934 7.290 3.676 1.00 0.00 C ATOM 337 CG TRP A 24 6.273 6.739 4.886 1.00 0.00 C ATOM 338 CD1 TRP A 24 6.368 7.199 6.150 1.00 0.00 C ATOM 339 CD2 TRP A 24 5.441 5.551 4.936 1.00 0.00 C ATOM 340 NE1 TRP A 24 5.612 6.394 6.976 1.00 0.00 N ATOM 341 CE2 TRP A 24 5.006 5.367 6.277 1.00 0.00 C ATOM 342 CE3 TRP A 24 5.058 4.587 3.979 1.00 0.00 C ATOM 343 CZ2 TRP A 24 4.166 4.305 6.635 1.00 0.00 C ATOM 344 CZ3 TRP A 24 4.261 3.494 4.344 1.00 0.00 C ATOM 345 CH2 TRP A 24 3.793 3.365 5.661 1.00 0.00 C ATOM 0 H TRP A 24 9.217 7.466 4.217 1.00 0.00 H new ATOM 0 HA TRP A 24 7.743 5.269 3.250 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.439 8.221 3.936 1.00 0.00 H new ATOM 0 HB3 TRP A 24 6.175 7.536 2.933 1.00 0.00 H new ATOM 0 HD1 TRP A 24 6.942 8.058 6.464 1.00 0.00 H new ATOM 0 HE1 TRP A 24 5.512 6.539 7.981 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.383 4.693 2.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.809 4.210 7.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 4.005 2.746 3.608 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.145 2.542 5.925 1.00 0.00 H new ATOM 356 N ASP A 25 8.881 7.102 0.958 1.00 0.00 N ATOM 357 CA ASP A 25 9.208 7.139 -0.465 1.00 0.00 C ATOM 358 C ASP A 25 7.976 7.324 -1.355 1.00 0.00 C ATOM 359 O ASP A 25 7.399 6.348 -1.843 1.00 0.00 O ATOM 360 CB ASP A 25 10.032 5.923 -0.886 1.00 0.00 C ATOM 361 CG ASP A 25 11.541 6.064 -0.676 1.00 0.00 C ATOM 362 OD1 ASP A 25 12.121 7.084 -1.124 1.00 0.00 O ATOM 363 OD2 ASP A 25 12.183 5.116 -0.175 1.00 0.00 O ATOM 0 H ASP A 25 9.538 7.658 1.506 1.00 0.00 H new ATOM 0 HA ASP A 25 9.826 8.024 -0.613 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.682 5.054 -0.329 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.844 5.722 -1.941 1.00 0.00 H new ATOM 368 N ASN A 26 7.553 8.570 -1.557 1.00 0.00 N ATOM 369 CA ASN A 26 6.366 8.905 -2.347 1.00 0.00 C ATOM 370 C ASN A 26 6.468 8.334 -3.753 1.00 0.00 C ATOM 371 O ASN A 26 7.194 8.856 -4.602 1.00 0.00 O ATOM 372 CB ASN A 26 6.118 10.420 -2.410 1.00 0.00 C ATOM 373 CG ASN A 26 5.448 10.903 -1.143 1.00 0.00 C ATOM 374 OD1 ASN A 26 6.047 11.627 -0.351 1.00 0.00 O ATOM 375 ND2 ASN A 26 4.214 10.485 -0.918 1.00 0.00 N ATOM 0 H ASN A 26 8.029 9.386 -1.173 1.00 0.00 H new ATOM 0 HA ASN A 26 5.514 8.451 -1.840 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.064 10.943 -2.550 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.493 10.656 -3.271 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.729 10.763 -0.065 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.747 9.885 -1.598 1.00 0.00 H new ATOM 382 N LEU A 27 5.737 7.254 -3.994 1.00 0.00 N ATOM 383 CA LEU A 27 5.784 6.476 -5.215 1.00 0.00 C ATOM 384 C LEU A 27 5.101 7.259 -6.312 1.00 0.00 C ATOM 385 O LEU A 27 3.996 7.787 -6.136 1.00 0.00 O ATOM 386 CB LEU A 27 5.085 5.120 -5.053 1.00 0.00 C ATOM 387 CG LEU A 27 5.698 4.211 -3.981 1.00 0.00 C ATOM 388 CD1 LEU A 27 4.876 2.925 -3.907 1.00 0.00 C ATOM 389 CD2 LEU A 27 7.161 3.867 -4.254 1.00 0.00 C ATOM 0 H LEU A 27 5.071 6.885 -3.315 1.00 0.00 H new ATOM 0 HA LEU A 27 6.828 6.286 -5.462 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.037 5.293 -4.808 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.107 4.598 -6.010 1.00 0.00 H new ATOM 0 HG LEU A 27 5.675 4.752 -3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.299 2.266 -3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.846 3.166 -3.645 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.896 2.424 -4.875 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.537 3.222 -3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.241 3.350 -5.210 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.750 4.783 -4.286 1.00 0.00 H new ATOM 401 N THR A 28 5.749 7.318 -7.464 1.00 0.00 N ATOM 402 CA THR A 28 5.231 7.968 -8.644 1.00 0.00 C ATOM 403 C THR A 28 3.910 7.306 -9.076 1.00 0.00 C ATOM 404 O THR A 28 3.740 6.093 -8.934 1.00 0.00 O ATOM 405 CB THR A 28 6.332 7.915 -9.732 1.00 0.00 C ATOM 406 OG1 THR A 28 7.481 7.160 -9.374 1.00 0.00 O ATOM 407 CG2 THR A 28 6.798 9.340 -10.022 1.00 0.00 C ATOM 0 H THR A 28 6.671 6.904 -7.602 1.00 0.00 H new ATOM 0 HA THR A 28 4.989 9.014 -8.455 1.00 0.00 H new ATOM 0 HB THR A 28 5.878 7.424 -10.593 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.023 7.671 -8.737 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.574 9.320 -10.787 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.955 9.934 -10.376 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.198 9.785 -9.111 1.00 0.00 H new ATOM 415 N SER A 29 3.008 8.087 -9.677 1.00 0.00 N ATOM 416 CA SER A 29 1.677 7.685 -10.153 1.00 0.00 C ATOM 417 C SER A 29 1.708 6.633 -11.279 1.00 0.00 C ATOM 418 O SER A 29 0.678 6.320 -11.878 1.00 0.00 O ATOM 419 CB SER A 29 0.931 8.928 -10.673 1.00 0.00 C ATOM 420 OG SER A 29 1.139 10.090 -9.879 1.00 0.00 O ATOM 0 H SER A 29 3.196 9.074 -9.856 1.00 0.00 H new ATOM 0 HA SER A 29 1.172 7.229 -9.301 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.252 9.134 -11.694 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.136 8.711 -10.712 1.00 0.00 H new ATOM 0 HG SER A 29 0.641 10.842 -10.263 1.00 0.00 H new ATOM 426 N SER A 30 2.896 6.151 -11.634 1.00 0.00 N ATOM 427 CA SER A 30 3.162 5.191 -12.679 1.00 0.00 C ATOM 428 C SER A 30 4.389 4.337 -12.317 1.00 0.00 C ATOM 429 O SER A 30 4.936 3.652 -13.179 1.00 0.00 O ATOM 430 CB SER A 30 3.358 5.995 -13.967 1.00 0.00 C ATOM 431 OG SER A 30 3.178 5.251 -15.155 1.00 0.00 O ATOM 0 H SER A 30 3.750 6.447 -11.161 1.00 0.00 H new ATOM 0 HA SER A 30 2.340 4.487 -12.810 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.660 6.832 -13.968 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.362 6.418 -13.967 1.00 0.00 H new ATOM 0 HG SER A 30 3.318 5.834 -15.930 1.00 0.00 H new ATOM 437 N GLN A 31 4.856 4.388 -11.058 1.00 0.00 N ATOM 438 CA GLN A 31 5.978 3.589 -10.580 1.00 0.00 C ATOM 439 C GLN A 31 5.684 2.113 -10.889 1.00 0.00 C ATOM 440 O GLN A 31 4.527 1.703 -10.760 1.00 0.00 O ATOM 441 CB GLN A 31 6.159 3.843 -9.066 1.00 0.00 C ATOM 442 CG GLN A 31 7.497 3.376 -8.500 1.00 0.00 C ATOM 443 CD GLN A 31 8.563 4.450 -8.314 1.00 0.00 C ATOM 444 OE1 GLN A 31 9.331 4.745 -9.229 1.00 0.00 O ATOM 445 NE2 GLN A 31 8.651 5.028 -7.121 1.00 0.00 N ATOM 0 H GLN A 31 4.455 4.994 -10.342 1.00 0.00 H new ATOM 0 HA GLN A 31 6.909 3.863 -11.077 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.051 4.911 -8.874 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.356 3.340 -8.528 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.314 2.904 -7.534 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.898 2.607 -9.160 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.003 4.766 -6.378 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.367 5.733 -6.948 1.00 0.00 H new ATOM 454 N THR A 32 6.692 1.319 -11.272 1.00 0.00 N ATOM 455 CA THR A 32 6.532 -0.136 -11.454 1.00 0.00 C ATOM 456 C THR A 32 7.388 -0.942 -10.468 1.00 0.00 C ATOM 457 O THR A 32 7.298 -2.174 -10.400 1.00 0.00 O ATOM 458 CB THR A 32 6.805 -0.569 -12.908 1.00 0.00 C ATOM 459 OG1 THR A 32 8.187 -0.584 -13.238 1.00 0.00 O ATOM 460 CG2 THR A 32 6.059 0.256 -13.956 1.00 0.00 C ATOM 0 H THR A 32 7.634 1.659 -11.464 1.00 0.00 H new ATOM 0 HA THR A 32 5.488 -0.359 -11.235 1.00 0.00 H new ATOM 0 HB THR A 32 6.419 -1.588 -12.940 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.298 -0.867 -14.170 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.305 -0.112 -14.952 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.985 0.167 -13.792 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.354 1.302 -13.873 1.00 0.00 H new ATOM 468 N LYS A 33 8.249 -0.261 -9.703 1.00 0.00 N ATOM 469 CA LYS A 33 9.240 -0.877 -8.843 1.00 0.00 C ATOM 470 C LYS A 33 9.470 -0.015 -7.614 1.00 0.00 C ATOM 471 O LYS A 33 9.139 1.169 -7.606 1.00 0.00 O ATOM 472 CB LYS A 33 10.568 -0.994 -9.614 1.00 0.00 C ATOM 473 CG LYS A 33 11.170 -2.388 -9.416 1.00 0.00 C ATOM 474 CD LYS A 33 11.297 -3.147 -10.743 1.00 0.00 C ATOM 475 CE LYS A 33 12.324 -2.439 -11.629 1.00 0.00 C ATOM 476 NZ LYS A 33 12.273 -2.891 -13.024 1.00 0.00 N ATOM 0 H LYS A 33 8.268 0.758 -9.671 1.00 0.00 H new ATOM 0 HA LYS A 33 8.886 -1.861 -8.537 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.399 -0.810 -10.675 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.268 -0.234 -9.266 1.00 0.00 H new ATOM 0 HG2 LYS A 33 12.153 -2.297 -8.954 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.546 -2.959 -8.729 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.605 -4.176 -10.559 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.331 -3.188 -11.246 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.150 -1.364 -11.593 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.324 -2.613 -11.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.988 -2.381 -13.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.466 -3.912 -13.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.329 -2.701 -13.416 1.00 0.00 H new ATOM 490 N ALA A 34 10.032 -0.602 -6.575 1.00 0.00 N ATOM 491 CA ALA A 34 10.285 0.071 -5.335 1.00 0.00 C ATOM 492 C ALA A 34 11.384 1.118 -5.532 1.00 0.00 C ATOM 493 O ALA A 34 12.216 1.013 -6.438 1.00 0.00 O ATOM 494 CB ALA A 34 10.686 -0.969 -4.287 1.00 0.00 C ATOM 0 H ALA A 34 10.328 -1.578 -6.579 1.00 0.00 H new ATOM 0 HA ALA A 34 9.390 0.589 -4.991 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.882 -0.472 -3.337 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.877 -1.688 -4.160 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.585 -1.489 -4.616 1.00 0.00 H new ATOM 500 N PRO A 35 11.450 2.090 -4.621 1.00 0.00 N ATOM 501 CA PRO A 35 12.601 2.963 -4.456 1.00 0.00 C ATOM 502 C PRO A 35 13.837 2.177 -4.034 1.00 0.00 C ATOM 503 O PRO A 35 14.954 2.603 -4.321 1.00 0.00 O ATOM 504 CB PRO A 35 12.227 3.932 -3.329 1.00 0.00 C ATOM 505 CG PRO A 35 11.179 3.140 -2.545 1.00 0.00 C ATOM 506 CD PRO A 35 10.446 2.377 -3.622 1.00 0.00 C ATOM 0 HA PRO A 35 12.835 3.468 -5.393 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.088 4.188 -2.711 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.823 4.868 -3.716 1.00 0.00 H new ATOM 0 HG2 PRO A 35 11.640 2.470 -1.820 1.00 0.00 H new ATOM 0 HG3 PRO A 35 10.509 3.797 -1.990 1.00 0.00 H new ATOM 0 HD2 PRO A 35 10.007 1.460 -3.228 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.630 2.967 -4.039 1.00 0.00 H new ATOM 514 N ASN A 36 13.651 1.090 -3.283 1.00 0.00 N ATOM 515 CA ASN A 36 14.719 0.468 -2.538 1.00 0.00 C ATOM 516 C ASN A 36 14.371 -0.983 -2.300 1.00 0.00 C ATOM 517 O ASN A 36 13.192 -1.346 -2.288 1.00 0.00 O ATOM 518 CB ASN A 36 14.892 1.169 -1.183 1.00 0.00 C ATOM 519 CG ASN A 36 16.332 1.610 -1.045 1.00 0.00 C ATOM 520 OD1 ASN A 36 17.213 0.788 -0.824 1.00 0.00 O ATOM 521 ND2 ASN A 36 16.576 2.893 -1.233 1.00 0.00 N ATOM 0 H ASN A 36 12.749 0.624 -3.182 1.00 0.00 H new ATOM 0 HA ASN A 36 15.647 0.547 -3.105 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.225 2.029 -1.115 1.00 0.00 H new ATOM 0 HB3 ASN A 36 14.624 0.493 -0.371 1.00 0.00 H new ATOM 0 HD21 ASN A 36 17.534 3.240 -1.197 1.00 0.00 H new ATOM 0 HD22 ASN A 36 15.806 3.537 -1.414 1.00 0.00 H new ATOM 528 N VAL A 37 15.381 -1.778 -1.991 1.00 0.00 N ATOM 529 CA VAL A 37 15.192 -2.986 -1.224 1.00 0.00 C ATOM 530 C VAL A 37 14.681 -2.641 0.175 1.00 0.00 C ATOM 531 O VAL A 37 15.341 -1.974 0.969 1.00 0.00 O ATOM 532 CB VAL A 37 16.400 -3.906 -1.347 1.00 0.00 C ATOM 533 CG1 VAL A 37 17.746 -3.258 -1.260 1.00 0.00 C ATOM 534 CG2 VAL A 37 16.397 -5.046 -0.346 1.00 0.00 C ATOM 0 H VAL A 37 16.347 -1.601 -2.265 1.00 0.00 H new ATOM 0 HA VAL A 37 14.395 -3.606 -1.634 1.00 0.00 H new ATOM 0 HB VAL A 37 16.267 -4.270 -2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 37 18.522 -4.016 -1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 37 17.849 -2.524 -2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 37 17.849 -2.761 -0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.286 -5.660 -0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 37 16.397 -4.641 0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.506 -5.657 -0.493 1.00 0.00 H new ATOM 544 N LEU A 38 13.433 -3.021 0.419 1.00 0.00 N ATOM 545 CA LEU A 38 12.736 -2.938 1.689 1.00 0.00 C ATOM 546 C LEU A 38 13.332 -3.987 2.641 1.00 0.00 C ATOM 547 O LEU A 38 13.054 -5.179 2.492 1.00 0.00 O ATOM 548 CB LEU A 38 11.225 -3.118 1.437 1.00 0.00 C ATOM 549 CG LEU A 38 10.628 -2.140 0.402 1.00 0.00 C ATOM 550 CD1 LEU A 38 9.130 -2.389 0.248 1.00 0.00 C ATOM 551 CD2 LEU A 38 10.860 -0.668 0.760 1.00 0.00 C ATOM 0 H LEU A 38 12.847 -3.420 -0.314 1.00 0.00 H new ATOM 0 HA LEU A 38 12.863 -1.966 2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.045 -4.139 1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.695 -2.996 2.382 1.00 0.00 H new ATOM 0 HG LEU A 38 11.147 -2.332 -0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.719 -1.694 -0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.964 -3.412 -0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.636 -2.239 1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.416 -0.033 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.398 -0.451 1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.931 -0.472 0.819 1.00 0.00 H new ATOM 563 N LYS A 39 14.207 -3.582 3.570 1.00 0.00 N ATOM 564 CA LYS A 39 14.812 -4.499 4.551 1.00 0.00 C ATOM 565 C LYS A 39 13.863 -4.731 5.735 1.00 0.00 C ATOM 566 O LYS A 39 12.934 -3.946 5.945 1.00 0.00 O ATOM 567 CB LYS A 39 16.165 -3.964 5.063 1.00 0.00 C ATOM 568 CG LYS A 39 17.151 -3.534 3.967 1.00 0.00 C ATOM 569 CD LYS A 39 17.309 -2.014 3.888 1.00 0.00 C ATOM 570 CE LYS A 39 17.934 -1.561 2.571 1.00 0.00 C ATOM 571 NZ LYS A 39 19.332 -1.992 2.398 1.00 0.00 N ATOM 0 H LYS A 39 14.516 -2.615 3.665 1.00 0.00 H new ATOM 0 HA LYS A 39 14.988 -5.448 4.044 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.978 -3.112 5.716 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.636 -4.735 5.672 1.00 0.00 H new ATOM 0 HG2 LYS A 39 18.123 -3.988 4.158 1.00 0.00 H new ATOM 0 HG3 LYS A 39 16.807 -3.911 3.004 1.00 0.00 H new ATOM 0 HD2 LYS A 39 16.333 -1.544 4.004 1.00 0.00 H new ATOM 0 HD3 LYS A 39 17.928 -1.672 4.717 1.00 0.00 H new ATOM 0 HE2 LYS A 39 17.339 -1.949 1.744 1.00 0.00 H new ATOM 0 HE3 LYS A 39 17.889 -0.473 2.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 19.784 -1.416 1.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 19.846 -1.871 3.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 19.354 -2.993 2.118 1.00 0.00 H new ATOM 585 N GLY A 40 14.146 -5.721 6.585 1.00 0.00 N ATOM 586 CA GLY A 40 13.560 -5.819 7.929 1.00 0.00 C ATOM 587 C GLY A 40 12.234 -6.583 8.030 1.00 0.00 C ATOM 588 O GLY A 40 11.591 -6.556 9.074 1.00 0.00 O ATOM 0 H GLY A 40 14.789 -6.480 6.362 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.285 -6.300 8.586 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.405 -4.810 8.311 1.00 0.00 H new ATOM 592 N ASN A 41 11.801 -7.263 6.969 1.00 0.00 N ATOM 593 CA ASN A 41 10.721 -8.268 6.877 1.00 0.00 C ATOM 594 C ASN A 41 9.315 -7.653 6.920 1.00 0.00 C ATOM 595 O ASN A 41 8.359 -8.201 6.354 1.00 0.00 O ATOM 596 CB ASN A 41 10.897 -9.399 7.913 1.00 0.00 C ATOM 597 CG ASN A 41 10.239 -10.726 7.519 1.00 0.00 C ATOM 598 OD1 ASN A 41 10.850 -11.782 7.652 1.00 0.00 O ATOM 599 ND2 ASN A 41 8.992 -10.750 7.071 1.00 0.00 N ATOM 0 H ASN A 41 12.235 -7.116 6.058 1.00 0.00 H new ATOM 0 HA ASN A 41 10.813 -8.719 5.889 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.962 -9.568 8.071 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.482 -9.070 8.866 1.00 0.00 H new ATOM 0 HD21 ASN A 41 8.550 -11.640 6.841 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.474 -9.879 6.956 1.00 0.00 H new ATOM 606 N LYS A 42 9.170 -6.520 7.590 1.00 0.00 N ATOM 607 CA LYS A 42 7.876 -5.907 7.870 1.00 0.00 C ATOM 608 C LYS A 42 7.597 -4.895 6.786 1.00 0.00 C ATOM 609 O LYS A 42 8.249 -3.854 6.752 1.00 0.00 O ATOM 610 CB LYS A 42 7.862 -5.253 9.256 1.00 0.00 C ATOM 611 CG LYS A 42 7.948 -6.271 10.406 1.00 0.00 C ATOM 612 CD LYS A 42 6.612 -6.998 10.617 1.00 0.00 C ATOM 613 CE LYS A 42 6.782 -8.149 11.609 1.00 0.00 C ATOM 614 NZ LYS A 42 5.485 -8.711 12.036 1.00 0.00 N ATOM 0 H LYS A 42 9.959 -5.991 7.961 1.00 0.00 H new ATOM 0 HA LYS A 42 7.096 -6.669 7.877 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.698 -4.558 9.331 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.949 -4.667 9.365 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.729 -7.000 10.190 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.234 -5.760 11.325 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.864 -6.297 10.988 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.245 -7.381 9.665 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.384 -8.934 11.152 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.329 -7.796 12.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.648 -9.488 12.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.919 -7.969 12.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.973 -9.072 11.206 1.00 0.00 H new ATOM 628 N LEU A 43 6.693 -5.229 5.870 1.00 0.00 N ATOM 629 CA LEU A 43 6.300 -4.324 4.797 1.00 0.00 C ATOM 630 C LEU A 43 5.314 -3.335 5.381 1.00 0.00 C ATOM 631 O LEU A 43 4.276 -3.725 5.927 1.00 0.00 O ATOM 632 CB LEU A 43 5.592 -5.068 3.643 1.00 0.00 C ATOM 633 CG LEU A 43 6.049 -4.665 2.242 1.00 0.00 C ATOM 634 CD1 LEU A 43 5.914 -3.180 1.950 1.00 0.00 C ATOM 635 CD2 LEU A 43 7.472 -5.099 1.908 1.00 0.00 C ATOM 0 H LEU A 43 6.215 -6.130 5.851 1.00 0.00 H new ATOM 0 HA LEU A 43 7.194 -3.846 4.398 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.753 -6.139 3.768 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.519 -4.895 3.723 1.00 0.00 H new ATOM 0 HG LEU A 43 5.357 -5.210 1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.259 -2.976 0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.869 -2.884 2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.517 -2.613 2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.723 -4.777 0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.166 -4.646 2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.546 -6.185 1.971 1.00 0.00 H new ATOM 647 N TYR A 44 5.568 -2.056 5.189 1.00 0.00 N ATOM 648 CA TYR A 44 4.640 -0.989 5.510 1.00 0.00 C ATOM 649 C TYR A 44 4.318 -0.274 4.207 1.00 0.00 C ATOM 650 O TYR A 44 5.176 -0.095 3.358 1.00 0.00 O ATOM 651 CB TYR A 44 5.247 -0.066 6.570 1.00 0.00 C ATOM 652 CG TYR A 44 5.745 -0.761 7.826 1.00 0.00 C ATOM 653 CD1 TYR A 44 4.953 -1.726 8.480 1.00 0.00 C ATOM 654 CD2 TYR A 44 7.002 -0.423 8.356 1.00 0.00 C ATOM 655 CE1 TYR A 44 5.381 -2.286 9.697 1.00 0.00 C ATOM 656 CE2 TYR A 44 7.431 -0.966 9.581 1.00 0.00 C ATOM 657 CZ TYR A 44 6.604 -1.878 10.274 1.00 0.00 C ATOM 658 OH TYR A 44 6.976 -2.334 11.504 1.00 0.00 O ATOM 0 H TYR A 44 6.447 -1.721 4.796 1.00 0.00 H new ATOM 0 HA TYR A 44 3.714 -1.368 5.943 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.078 0.478 6.122 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.499 0.674 6.856 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.014 -2.036 8.045 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.644 0.259 7.819 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.773 -3.029 10.191 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.390 -0.686 9.991 1.00 0.00 H new ATOM 0 HH TYR A 44 7.846 -1.952 11.745 1.00 0.00 H new ATOM 668 N VAL A 45 3.065 0.089 3.985 1.00 0.00 N ATOM 669 CA VAL A 45 2.589 0.670 2.731 1.00 0.00 C ATOM 670 C VAL A 45 1.479 1.645 3.129 1.00 0.00 C ATOM 671 O VAL A 45 0.838 1.448 4.174 1.00 0.00 O ATOM 672 CB VAL A 45 2.195 -0.471 1.798 1.00 0.00 C ATOM 673 CG1 VAL A 45 0.825 -0.931 1.963 1.00 0.00 C ATOM 674 CG2 VAL A 45 2.395 -0.100 0.346 1.00 0.00 C ATOM 0 H VAL A 45 2.330 -0.013 4.685 1.00 0.00 H new ATOM 0 HA VAL A 45 3.326 1.239 2.164 1.00 0.00 H new ATOM 0 HB VAL A 45 2.860 -1.287 2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.627 -1.742 1.263 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.682 -1.288 2.983 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.139 -0.107 1.767 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.104 -0.938 -0.287 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.781 0.768 0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.444 0.138 0.172 1.00 0.00 H new ATOM 684 N LYS A 46 1.267 2.682 2.316 1.00 0.00 N ATOM 685 CA LYS A 46 0.392 3.803 2.622 1.00 0.00 C ATOM 686 C LYS A 46 -0.529 4.039 1.426 1.00 0.00 C ATOM 687 O LYS A 46 -0.269 4.897 0.589 1.00 0.00 O ATOM 688 CB LYS A 46 1.236 5.037 2.996 1.00 0.00 C ATOM 689 CG LYS A 46 0.506 5.930 3.998 1.00 0.00 C ATOM 690 CD LYS A 46 1.462 6.942 4.624 1.00 0.00 C ATOM 691 CE LYS A 46 1.808 8.034 3.622 1.00 0.00 C ATOM 692 NZ LYS A 46 1.144 9.310 3.984 1.00 0.00 N ATOM 0 H LYS A 46 1.714 2.762 1.403 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.237 3.590 3.486 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.187 4.714 3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.465 5.609 2.097 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.308 6.454 3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.058 5.316 4.779 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.005 7.384 5.510 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.372 6.438 4.952 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.888 8.177 3.591 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.498 7.728 2.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.027 9.894 3.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.211 9.111 4.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.728 9.821 4.677 1.00 0.00 H new ATOM 706 N ALA A 47 -1.572 3.224 1.305 1.00 0.00 N ATOM 707 CA ALA A 47 -2.400 3.125 0.110 1.00 0.00 C ATOM 708 C ALA A 47 -3.525 4.173 0.123 1.00 0.00 C ATOM 709 O ALA A 47 -4.314 4.246 1.066 1.00 0.00 O ATOM 710 CB ALA A 47 -2.908 1.690 0.040 1.00 0.00 C ATOM 0 H ALA A 47 -1.871 2.599 2.054 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.828 3.346 -0.791 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.535 1.569 -0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.061 1.007 -0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.492 1.467 0.933 1.00 0.00 H new ATOM 716 N ARG A 48 -3.633 4.996 -0.927 1.00 0.00 N ATOM 717 CA ARG A 48 -4.530 6.154 -0.993 1.00 0.00 C ATOM 718 C ARG A 48 -5.891 5.721 -1.483 1.00 0.00 C ATOM 719 O ARG A 48 -6.111 5.694 -2.689 1.00 0.00 O ATOM 720 CB ARG A 48 -3.925 7.190 -1.950 1.00 0.00 C ATOM 721 CG ARG A 48 -4.876 8.352 -2.306 1.00 0.00 C ATOM 722 CD ARG A 48 -4.242 9.683 -1.934 1.00 0.00 C ATOM 723 NE ARG A 48 -3.235 10.116 -2.914 1.00 0.00 N ATOM 724 CZ ARG A 48 -3.452 10.869 -4.002 1.00 0.00 C ATOM 725 NH1 ARG A 48 -4.669 11.317 -4.284 1.00 0.00 N ATOM 726 NH2 ARG A 48 -2.457 11.162 -4.829 1.00 0.00 N ATOM 0 H ARG A 48 -3.083 4.871 -1.777 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.645 6.594 -0.003 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.021 7.600 -1.500 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.624 6.687 -2.869 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.101 8.334 -3.372 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.822 8.232 -1.778 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.019 10.443 -1.855 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.777 9.599 -0.952 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.275 9.813 -2.750 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.451 11.089 -3.670 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.822 11.889 -5.114 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.517 10.814 -4.640 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.632 11.736 -5.654 1.00 0.00 H new ATOM 740 N PHE A 49 -6.823 5.440 -0.582 1.00 0.00 N ATOM 741 CA PHE A 49 -8.156 4.975 -0.983 1.00 0.00 C ATOM 742 C PHE A 49 -9.058 6.177 -1.208 1.00 0.00 C ATOM 743 O PHE A 49 -9.508 6.794 -0.240 1.00 0.00 O ATOM 744 CB PHE A 49 -8.739 3.919 -0.040 1.00 0.00 C ATOM 745 CG PHE A 49 -8.003 2.587 -0.042 1.00 0.00 C ATOM 746 CD1 PHE A 49 -8.298 1.552 -0.965 1.00 0.00 C ATOM 747 CD2 PHE A 49 -6.962 2.396 0.883 1.00 0.00 C ATOM 748 CE1 PHE A 49 -7.659 0.309 -0.842 1.00 0.00 C ATOM 749 CE2 PHE A 49 -6.257 1.182 0.929 1.00 0.00 C ATOM 750 CZ PHE A 49 -6.635 0.122 0.096 1.00 0.00 C ATOM 0 H PHE A 49 -6.688 5.523 0.426 1.00 0.00 H new ATOM 0 HA PHE A 49 -8.072 4.441 -1.929 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.738 4.318 0.975 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -9.780 3.744 -0.312 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -9.011 1.720 -1.759 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.701 3.191 1.566 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.959 -0.512 -1.477 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.424 1.066 1.606 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.140 -0.835 0.176 1.00 0.00 H new ATOM 760 N MET A 50 -9.243 6.561 -2.478 1.00 0.00 N ATOM 761 CA MET A 50 -10.065 7.701 -2.864 1.00 0.00 C ATOM 762 C MET A 50 -11.491 7.190 -3.027 1.00 0.00 C ATOM 763 O MET A 50 -11.842 6.630 -4.065 1.00 0.00 O ATOM 764 CB MET A 50 -9.591 8.400 -4.150 1.00 0.00 C ATOM 765 CG MET A 50 -8.092 8.659 -4.262 1.00 0.00 C ATOM 766 SD MET A 50 -7.488 10.254 -3.652 1.00 0.00 S ATOM 767 CE MET A 50 -8.006 10.128 -1.939 1.00 0.00 C ATOM 0 H MET A 50 -8.819 6.079 -3.271 1.00 0.00 H new ATOM 0 HA MET A 50 -9.992 8.461 -2.087 1.00 0.00 H new ATOM 0 HB2 MET A 50 -9.899 7.794 -5.002 1.00 0.00 H new ATOM 0 HB3 MET A 50 -10.111 9.354 -4.233 1.00 0.00 H new ATOM 0 HG2 MET A 50 -7.570 7.869 -3.721 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.809 8.568 -5.311 1.00 0.00 H new ATOM 0 HE1 MET A 50 -7.371 10.762 -1.319 1.00 0.00 H new ATOM 0 HE2 MET A 50 -9.043 10.453 -1.847 1.00 0.00 H new ATOM 0 HE3 MET A 50 -7.919 9.093 -1.608 1.00 0.00 H new ATOM 777 N GLY A 51 -12.273 7.318 -1.967 1.00 0.00 N ATOM 778 CA GLY A 51 -13.633 6.801 -1.879 1.00 0.00 C ATOM 779 C GLY A 51 -13.715 5.703 -0.827 1.00 0.00 C ATOM 780 O GLY A 51 -12.702 5.124 -0.413 1.00 0.00 O ATOM 0 H GLY A 51 -11.972 7.798 -1.119 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.320 7.608 -1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.944 6.410 -2.848 1.00 0.00 H new ATOM 784 N TYR A 52 -14.931 5.438 -0.360 1.00 0.00 N ATOM 785 CA TYR A 52 -15.227 4.601 0.791 1.00 0.00 C ATOM 786 C TYR A 52 -15.154 3.141 0.365 1.00 0.00 C ATOM 787 O TYR A 52 -15.921 2.698 -0.491 1.00 0.00 O ATOM 788 CB TYR A 52 -16.609 4.967 1.349 1.00 0.00 C ATOM 789 CG TYR A 52 -16.693 5.126 2.856 1.00 0.00 C ATOM 790 CD1 TYR A 52 -16.439 4.054 3.731 1.00 0.00 C ATOM 791 CD2 TYR A 52 -17.148 6.349 3.375 1.00 0.00 C ATOM 792 CE1 TYR A 52 -16.697 4.199 5.109 1.00 0.00 C ATOM 793 CE2 TYR A 52 -17.459 6.484 4.735 1.00 0.00 C ATOM 794 CZ TYR A 52 -17.241 5.404 5.610 1.00 0.00 C ATOM 795 OH TYR A 52 -17.606 5.516 6.913 1.00 0.00 O ATOM 0 H TYR A 52 -15.772 5.819 -0.794 1.00 0.00 H new ATOM 0 HA TYR A 52 -14.499 4.763 1.586 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -16.931 5.900 0.886 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -17.318 4.198 1.044 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -16.048 3.123 3.348 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -17.260 7.198 2.717 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -16.478 3.386 5.785 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -17.864 7.413 5.109 1.00 0.00 H new ATOM 0 HH TYR A 52 -17.959 6.415 7.078 1.00 0.00 H new ATOM 805 N THR A 53 -14.187 2.407 0.907 1.00 0.00 N ATOM 806 CA THR A 53 -13.922 0.990 0.685 1.00 0.00 C ATOM 807 C THR A 53 -12.875 0.578 1.705 1.00 0.00 C ATOM 808 O THR A 53 -11.776 1.137 1.719 1.00 0.00 O ATOM 809 CB THR A 53 -13.442 0.750 -0.759 1.00 0.00 C ATOM 810 OG1 THR A 53 -14.563 0.832 -1.619 1.00 0.00 O ATOM 811 CG2 THR A 53 -12.733 -0.579 -1.019 1.00 0.00 C ATOM 0 H THR A 53 -13.520 2.817 1.560 1.00 0.00 H new ATOM 0 HA THR A 53 -14.824 0.391 0.810 1.00 0.00 H new ATOM 0 HB THR A 53 -12.692 1.519 -0.946 1.00 0.00 H new ATOM 0 HG1 THR A 53 -15.283 1.323 -1.172 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.441 -0.637 -2.068 1.00 0.00 H new ATOM 0 HG22 THR A 53 -11.845 -0.647 -0.391 1.00 0.00 H new ATOM 0 HG23 THR A 53 -13.407 -1.403 -0.784 1.00 0.00 H new ATOM 819 N LYS A 54 -13.229 -0.385 2.561 1.00 0.00 N ATOM 820 CA LYS A 54 -12.324 -0.971 3.545 1.00 0.00 C ATOM 821 C LYS A 54 -12.105 -2.475 3.321 1.00 0.00 C ATOM 822 O LYS A 54 -11.198 -3.047 3.919 1.00 0.00 O ATOM 823 CB LYS A 54 -12.865 -0.653 4.954 1.00 0.00 C ATOM 824 CG LYS A 54 -12.723 0.839 5.325 1.00 0.00 C ATOM 825 CD LYS A 54 -14.029 1.512 5.784 1.00 0.00 C ATOM 826 CE LYS A 54 -14.552 0.961 7.117 1.00 0.00 C ATOM 827 NZ LYS A 54 -15.786 0.157 6.989 1.00 0.00 N ATOM 0 H LYS A 54 -14.168 -0.783 2.587 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.335 -0.527 3.433 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -13.916 -0.938 5.008 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -12.333 -1.258 5.688 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.982 0.934 6.119 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.335 1.379 4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.864 2.585 5.881 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.791 1.375 5.017 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.776 0.348 7.575 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.741 1.794 7.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -16.079 -0.181 7.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -16.542 0.743 6.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.607 -0.658 6.368 1.00 0.00 H new ATOM 841 N LEU A 55 -12.872 -3.121 2.434 1.00 0.00 N ATOM 842 CA LEU A 55 -12.876 -4.570 2.214 1.00 0.00 C ATOM 843 C LEU A 55 -11.708 -5.009 1.303 1.00 0.00 C ATOM 844 O LEU A 55 -11.908 -5.781 0.366 1.00 0.00 O ATOM 845 CB LEU A 55 -14.233 -5.023 1.628 1.00 0.00 C ATOM 846 CG LEU A 55 -15.502 -4.906 2.496 1.00 0.00 C ATOM 847 CD1 LEU A 55 -15.918 -3.454 2.754 1.00 0.00 C ATOM 848 CD2 LEU A 55 -16.649 -5.621 1.765 1.00 0.00 C ATOM 0 H LEU A 55 -13.530 -2.630 1.829 1.00 0.00 H new ATOM 0 HA LEU A 55 -12.736 -5.055 3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -14.405 -4.450 0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.131 -6.068 1.334 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.285 -5.358 3.464 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -16.817 -3.437 3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -15.113 -2.932 3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -16.120 -2.959 1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -17.559 -5.552 2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.813 -5.150 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.390 -6.670 1.619 1.00 0.00 H new ATOM 860 N THR A 56 -10.505 -4.476 1.511 1.00 0.00 N ATOM 861 CA THR A 56 -9.330 -4.635 0.657 1.00 0.00 C ATOM 862 C THR A 56 -8.890 -6.105 0.531 1.00 0.00 C ATOM 863 O THR A 56 -9.041 -6.869 1.488 1.00 0.00 O ATOM 864 CB THR A 56 -8.207 -3.795 1.297 1.00 0.00 C ATOM 865 OG1 THR A 56 -8.683 -2.520 1.682 1.00 0.00 O ATOM 866 CG2 THR A 56 -7.033 -3.588 0.349 1.00 0.00 C ATOM 0 H THR A 56 -10.314 -3.890 2.324 1.00 0.00 H new ATOM 0 HA THR A 56 -9.562 -4.303 -0.355 1.00 0.00 H new ATOM 0 HB THR A 56 -7.872 -4.356 2.169 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.126 -1.825 1.273 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.267 -2.991 0.844 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.615 -4.555 0.070 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.375 -3.069 -0.546 1.00 0.00 H new ATOM 874 N VAL A 57 -8.260 -6.475 -0.594 1.00 0.00 N ATOM 875 CA VAL A 57 -7.819 -7.837 -0.880 1.00 0.00 C ATOM 876 C VAL A 57 -6.350 -7.840 -1.349 1.00 0.00 C ATOM 877 O VAL A 57 -5.889 -6.971 -2.102 1.00 0.00 O ATOM 878 CB VAL A 57 -8.773 -8.515 -1.894 1.00 0.00 C ATOM 879 CG1 VAL A 57 -8.540 -10.036 -1.934 1.00 0.00 C ATOM 880 CG2 VAL A 57 -10.260 -8.260 -1.579 1.00 0.00 C ATOM 0 H VAL A 57 -8.041 -5.817 -1.342 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.860 -8.428 0.035 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.544 -8.068 -2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.222 -10.490 -2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.511 -10.239 -2.231 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.722 -10.458 -0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.880 -8.759 -2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.495 -8.651 -0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.458 -7.188 -1.602 1.00 0.00 H new ATOM 890 N ILE A 58 -5.604 -8.841 -0.886 1.00 0.00 N ATOM 891 CA ILE A 58 -4.216 -9.156 -1.199 1.00 0.00 C ATOM 892 C ILE A 58 -4.227 -10.686 -1.295 1.00 0.00 C ATOM 893 O ILE A 58 -4.611 -11.304 -0.305 1.00 0.00 O ATOM 894 CB ILE A 58 -3.276 -8.639 -0.073 1.00 0.00 C ATOM 895 CG1 ILE A 58 -3.419 -7.123 0.212 1.00 0.00 C ATOM 896 CG2 ILE A 58 -1.817 -8.966 -0.417 1.00 0.00 C ATOM 897 CD1 ILE A 58 -2.503 -6.619 1.341 1.00 0.00 C ATOM 0 H ILE A 58 -5.993 -9.511 -0.223 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.846 -8.688 -2.111 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.579 -9.155 0.838 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.197 -6.568 -0.700 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.455 -6.907 0.472 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.165 -8.601 0.377 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.699 -10.045 -0.515 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.548 -8.485 -1.357 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.657 -5.550 1.485 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.740 -7.147 2.265 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.462 -6.803 1.074 1.00 0.00 H new ATOM 909 N THR A 59 -3.931 -11.277 -2.456 1.00 0.00 N ATOM 910 CA THR A 59 -4.103 -12.703 -2.737 1.00 0.00 C ATOM 911 C THR A 59 -3.044 -13.589 -2.056 1.00 0.00 C ATOM 912 O THR A 59 -3.306 -14.747 -1.728 1.00 0.00 O ATOM 913 CB THR A 59 -4.018 -12.901 -4.263 1.00 0.00 C ATOM 914 OG1 THR A 59 -4.690 -11.863 -4.960 1.00 0.00 O ATOM 915 CG2 THR A 59 -4.598 -14.231 -4.737 1.00 0.00 C ATOM 0 H THR A 59 -3.554 -10.759 -3.250 1.00 0.00 H new ATOM 0 HA THR A 59 -5.070 -13.007 -2.337 1.00 0.00 H new ATOM 0 HB THR A 59 -2.951 -12.887 -4.485 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.617 -12.016 -5.925 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.505 -14.303 -5.821 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.054 -15.052 -4.271 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.650 -14.289 -4.459 1.00 0.00 H new ATOM 923 N GLY A 60 -1.834 -13.056 -1.874 1.00 0.00 N ATOM 924 CA GLY A 60 -0.684 -13.796 -1.386 1.00 0.00 C ATOM 925 C GLY A 60 -0.341 -15.008 -2.227 1.00 0.00 C ATOM 926 O GLY A 60 -0.932 -15.297 -3.270 1.00 0.00 O ATOM 0 H GLY A 60 -1.629 -12.076 -2.068 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.179 -13.131 -1.354 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.877 -14.117 -0.362 1.00 0.00 H new ATOM 930 N LYS A 61 0.657 -15.735 -1.737 1.00 0.00 N ATOM 931 CA LYS A 61 0.954 -17.061 -2.246 1.00 0.00 C ATOM 932 C LYS A 61 -0.171 -18.043 -1.934 1.00 0.00 C ATOM 933 O LYS A 61 -0.338 -19.028 -2.644 1.00 0.00 O ATOM 934 CB LYS A 61 2.305 -17.510 -1.694 1.00 0.00 C ATOM 935 CG LYS A 61 2.394 -17.660 -0.172 1.00 0.00 C ATOM 936 CD LYS A 61 3.754 -18.158 0.336 1.00 0.00 C ATOM 937 CE LYS A 61 5.031 -17.408 -0.093 1.00 0.00 C ATOM 938 NZ LYS A 61 5.647 -17.921 -1.339 1.00 0.00 N ATOM 0 H LYS A 61 1.273 -15.424 -0.986 1.00 0.00 H new ATOM 0 HA LYS A 61 1.022 -17.033 -3.334 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.561 -18.467 -2.149 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.062 -16.793 -2.013 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.178 -16.696 0.289 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.620 -18.353 0.159 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.720 -18.154 1.425 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.862 -19.197 0.024 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.792 -16.353 -0.227 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.763 -17.469 0.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.589 -18.306 -1.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.048 -18.671 -1.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.736 -17.146 -2.027 1.00 0.00 H new ATOM 952 N ASP A 62 -0.961 -17.774 -0.895 1.00 0.00 N ATOM 953 CA ASP A 62 -1.955 -18.717 -0.397 1.00 0.00 C ATOM 954 C ASP A 62 -3.250 -18.718 -1.192 1.00 0.00 C ATOM 955 O ASP A 62 -4.101 -19.574 -0.950 1.00 0.00 O ATOM 956 CB ASP A 62 -2.230 -18.453 1.090 1.00 0.00 C ATOM 957 CG ASP A 62 -1.364 -19.349 1.963 1.00 0.00 C ATOM 958 OD1 ASP A 62 -1.323 -20.576 1.715 1.00 0.00 O ATOM 959 OD2 ASP A 62 -0.740 -18.813 2.902 1.00 0.00 O ATOM 0 H ASP A 62 -0.928 -16.896 -0.377 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.530 -19.713 -0.523 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.030 -17.407 1.322 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.283 -18.632 1.308 1.00 0.00 H new ATOM 964 N GLY A 63 -3.435 -17.770 -2.113 1.00 0.00 N ATOM 965 CA GLY A 63 -4.720 -17.605 -2.786 1.00 0.00 C ATOM 966 C GLY A 63 -5.818 -17.061 -1.859 1.00 0.00 C ATOM 967 O GLY A 63 -6.994 -17.060 -2.237 1.00 0.00 O ATOM 0 H GLY A 63 -2.715 -17.110 -2.407 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.597 -16.927 -3.631 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.038 -18.566 -3.191 1.00 0.00 H new ATOM 971 N LYS A 64 -5.474 -16.622 -0.643 1.00 0.00 N ATOM 972 CA LYS A 64 -6.389 -16.167 0.396 1.00 0.00 C ATOM 973 C LYS A 64 -6.197 -14.680 0.615 1.00 0.00 C ATOM 974 O LYS A 64 -5.130 -14.144 0.335 1.00 0.00 O ATOM 975 CB LYS A 64 -6.077 -16.913 1.698 1.00 0.00 C ATOM 976 CG LYS A 64 -6.250 -18.430 1.588 1.00 0.00 C ATOM 977 CD LYS A 64 -7.689 -18.856 1.277 1.00 0.00 C ATOM 978 CE LYS A 64 -7.968 -20.344 1.526 1.00 0.00 C ATOM 979 NZ LYS A 64 -8.055 -20.678 2.965 1.00 0.00 N ATOM 0 H LYS A 64 -4.499 -16.574 -0.347 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.418 -16.363 0.094 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.052 -16.693 1.997 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.727 -16.537 2.488 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.590 -18.808 0.807 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.936 -18.893 2.523 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.372 -18.262 1.885 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.908 -18.626 0.234 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.902 -20.621 1.036 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.179 -20.939 1.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.245 -21.695 3.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.156 -20.441 3.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.826 -20.133 3.402 1.00 0.00 H new ATOM 993 N ASN A 65 -7.206 -14.016 1.172 1.00 0.00 N ATOM 994 CA ASN A 65 -7.106 -12.607 1.530 1.00 0.00 C ATOM 995 C ASN A 65 -6.111 -12.499 2.673 1.00 0.00 C ATOM 996 O ASN A 65 -6.492 -12.769 3.807 1.00 0.00 O ATOM 997 CB ASN A 65 -8.498 -12.087 1.956 1.00 0.00 C ATOM 998 CG ASN A 65 -8.659 -10.582 1.917 1.00 0.00 C ATOM 999 OD1 ASN A 65 -9.557 -10.071 1.276 1.00 0.00 O ATOM 1000 ND2 ASN A 65 -7.829 -9.817 2.592 1.00 0.00 N ATOM 0 H ASN A 65 -8.110 -14.437 1.386 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.767 -12.004 0.687 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.251 -12.535 1.307 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.704 -12.433 2.969 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.941 -8.803 2.575 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.073 -10.237 3.132 1.00 0.00 H new ATOM 1007 N LEU A 66 -4.860 -12.114 2.418 1.00 0.00 N ATOM 1008 CA LEU A 66 -3.817 -12.112 3.446 1.00 0.00 C ATOM 1009 C LEU A 66 -4.207 -11.276 4.651 1.00 0.00 C ATOM 1010 O LEU A 66 -3.920 -11.675 5.776 1.00 0.00 O ATOM 1011 CB LEU A 66 -2.487 -11.581 2.908 1.00 0.00 C ATOM 1012 CG LEU A 66 -1.848 -12.447 1.820 1.00 0.00 C ATOM 1013 CD1 LEU A 66 -0.454 -11.864 1.554 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -1.720 -13.901 2.280 1.00 0.00 C ATOM 0 H LEU A 66 -4.542 -11.797 1.502 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.701 -13.153 3.747 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.645 -10.579 2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.786 -11.487 3.738 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.464 -12.442 0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.044 -12.450 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.549 -10.831 1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.135 -11.896 2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.263 -14.494 1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.097 -13.947 3.173 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.709 -14.299 2.507 1.00 0.00 H new ATOM 1026 N LEU A 67 -4.906 -10.157 4.417 1.00 0.00 N ATOM 1027 CA LEU A 67 -5.390 -9.273 5.464 1.00 0.00 C ATOM 1028 C LEU A 67 -6.366 -9.976 6.430 1.00 0.00 C ATOM 1029 O LEU A 67 -6.644 -9.430 7.498 1.00 0.00 O ATOM 1030 CB LEU A 67 -6.027 -8.015 4.848 1.00 0.00 C ATOM 1031 CG LEU A 67 -5.120 -7.173 3.933 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -5.952 -6.194 3.100 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -4.110 -6.376 4.753 1.00 0.00 C ATOM 0 H LEU A 67 -5.150 -9.844 3.478 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.528 -8.975 6.061 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.903 -8.320 4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.382 -7.378 5.659 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.592 -7.862 3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.292 -5.608 2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.657 -6.750 2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.500 -5.526 3.764 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.481 -5.789 4.084 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.639 -5.708 5.433 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.488 -7.061 5.329 1.00 0.00 H new ATOM 1045 N TYR A 68 -6.895 -11.151 6.053 1.00 0.00 N ATOM 1046 CA TYR A 68 -7.761 -12.013 6.841 1.00 0.00 C ATOM 1047 C TYR A 68 -7.184 -13.438 6.962 1.00 0.00 C ATOM 1048 O TYR A 68 -7.904 -14.373 7.326 1.00 0.00 O ATOM 1049 CB TYR A 68 -9.156 -12.002 6.191 1.00 0.00 C ATOM 1050 CG TYR A 68 -10.278 -12.228 7.183 1.00 0.00 C ATOM 1051 CD1 TYR A 68 -10.558 -11.216 8.117 1.00 0.00 C ATOM 1052 CD2 TYR A 68 -11.011 -13.431 7.211 1.00 0.00 C ATOM 1053 CE1 TYR A 68 -11.563 -11.397 9.078 1.00 0.00 C ATOM 1054 CE2 TYR A 68 -12.027 -13.614 8.168 1.00 0.00 C ATOM 1055 CZ TYR A 68 -12.310 -12.596 9.107 1.00 0.00 C ATOM 1056 OH TYR A 68 -13.294 -12.770 10.031 1.00 0.00 O ATOM 0 H TYR A 68 -6.711 -11.540 5.128 1.00 0.00 H new ATOM 0 HA TYR A 68 -7.834 -11.639 7.862 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.309 -11.046 5.691 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.198 -12.774 5.423 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -9.996 -10.294 8.095 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.793 -14.213 6.498 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -11.767 -10.618 9.798 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -12.592 -14.534 8.185 1.00 0.00 H new ATOM 0 HH TYR A 68 -13.707 -13.650 9.908 1.00 0.00 H new ATOM 1066 N ASN A 69 -5.910 -13.637 6.602 1.00 0.00 N ATOM 1067 CA ASN A 69 -5.207 -14.907 6.740 1.00 0.00 C ATOM 1068 C ASN A 69 -4.633 -14.966 8.147 1.00 0.00 C ATOM 1069 O ASN A 69 -5.126 -15.734 8.974 1.00 0.00 O ATOM 1070 CB ASN A 69 -4.143 -15.087 5.647 1.00 0.00 C ATOM 1071 CG ASN A 69 -3.503 -16.474 5.672 1.00 0.00 C ATOM 1072 OD1 ASN A 69 -2.285 -16.605 5.737 1.00 0.00 O ATOM 1073 ND2 ASN A 69 -4.291 -17.529 5.529 1.00 0.00 N ATOM 0 H ASN A 69 -5.332 -12.900 6.199 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.894 -15.742 6.601 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.598 -14.919 4.671 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.368 -14.331 5.772 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.887 -18.464 5.472 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.302 -17.407 5.476 1.00 0.00 H new ATOM 1080 N GLY A 70 -3.688 -14.080 8.466 1.00 0.00 N ATOM 1081 CA GLY A 70 -3.153 -13.982 9.816 1.00 0.00 C ATOM 1082 C GLY A 70 -1.955 -13.056 9.961 1.00 0.00 C ATOM 1083 O GLY A 70 -1.655 -12.667 11.087 1.00 0.00 O ATOM 0 H GLY A 70 -3.280 -13.421 7.803 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.944 -13.636 10.481 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.867 -14.979 10.152 1.00 0.00 H new ATOM 1087 N THR A 71 -1.281 -12.685 8.872 1.00 0.00 N ATOM 1088 CA THR A 71 -0.047 -11.914 8.973 1.00 0.00 C ATOM 1089 C THR A 71 -0.247 -10.484 8.482 1.00 0.00 C ATOM 1090 O THR A 71 -0.034 -9.546 9.248 1.00 0.00 O ATOM 1091 CB THR A 71 1.059 -12.646 8.210 1.00 0.00 C ATOM 1092 OG1 THR A 71 1.013 -14.040 8.443 1.00 0.00 O ATOM 1093 CG2 THR A 71 2.438 -12.130 8.602 1.00 0.00 C ATOM 0 H THR A 71 -1.568 -12.905 7.918 1.00 0.00 H new ATOM 0 HA THR A 71 0.252 -11.833 10.018 1.00 0.00 H new ATOM 0 HB THR A 71 0.887 -12.452 7.151 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.731 -14.479 7.941 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.201 -12.670 8.042 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.507 -11.066 8.375 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.594 -12.284 9.670 1.00 0.00 H new ATOM 1101 N ALA A 72 -0.667 -10.290 7.223 1.00 0.00 N ATOM 1102 CA ALA A 72 -1.002 -8.951 6.783 1.00 0.00 C ATOM 1103 C ALA A 72 -2.265 -8.553 7.522 1.00 0.00 C ATOM 1104 O ALA A 72 -3.154 -9.371 7.757 1.00 0.00 O ATOM 1105 CB ALA A 72 -1.202 -8.903 5.264 1.00 0.00 C ATOM 0 H ALA A 72 -0.776 -11.023 6.522 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.193 -8.254 7.004 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.452 -7.886 4.962 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.283 -9.214 4.766 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.013 -9.575 4.982 1.00 0.00 H new ATOM 1111 N LYS A 73 -2.365 -7.271 7.831 1.00 0.00 N ATOM 1112 CA LYS A 73 -3.526 -6.655 8.440 1.00 0.00 C ATOM 1113 C LYS A 73 -3.300 -5.154 8.347 1.00 0.00 C ATOM 1114 O LYS A 73 -2.151 -4.694 8.363 1.00 0.00 O ATOM 1115 CB LYS A 73 -3.604 -7.180 9.884 1.00 0.00 C ATOM 1116 CG LYS A 73 -4.500 -6.402 10.837 1.00 0.00 C ATOM 1117 CD LYS A 73 -5.998 -6.415 10.476 1.00 0.00 C ATOM 1118 CE LYS A 73 -6.672 -7.798 10.538 1.00 0.00 C ATOM 1119 NZ LYS A 73 -6.687 -8.397 11.888 1.00 0.00 N ATOM 0 H LYS A 73 -1.610 -6.608 7.657 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.475 -6.888 7.958 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.951 -8.213 9.854 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.596 -7.195 10.298 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.380 -6.810 11.840 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.158 -5.367 10.871 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.525 -5.741 11.151 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.117 -6.015 9.469 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.698 -7.708 10.180 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.155 -8.474 9.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.156 -9.325 11.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.711 -8.515 12.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.205 -7.773 12.539 1.00 0.00 H new ATOM 1133 N MET A 74 -4.372 -4.378 8.224 1.00 0.00 N ATOM 1134 CA MET A 74 -4.309 -2.944 8.382 1.00 0.00 C ATOM 1135 C MET A 74 -4.219 -2.608 9.868 1.00 0.00 C ATOM 1136 O MET A 74 -4.976 -3.158 10.667 1.00 0.00 O ATOM 1137 CB MET A 74 -5.521 -2.325 7.698 1.00 0.00 C ATOM 1138 CG MET A 74 -6.809 -2.592 8.474 1.00 0.00 C ATOM 1139 SD MET A 74 -8.345 -2.221 7.599 1.00 0.00 S ATOM 1140 CE MET A 74 -7.852 -0.622 6.935 1.00 0.00 C ATOM 0 H MET A 74 -5.304 -4.733 8.012 1.00 0.00 H new ATOM 0 HA MET A 74 -3.420 -2.527 7.909 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.373 -1.250 7.599 1.00 0.00 H new ATOM 0 HB3 MET A 74 -5.614 -2.728 6.690 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.824 -3.642 8.766 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.786 -2.006 9.393 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.740 -0.045 6.679 1.00 0.00 H new ATOM 0 HE2 MET A 74 -7.270 -0.082 7.682 1.00 0.00 H new ATOM 0 HE3 MET A 74 -7.246 -0.770 6.041 1.00 0.00 H new ATOM 1150 N PHE A 75 -3.310 -1.710 10.237 1.00 0.00 N ATOM 1151 CA PHE A 75 -3.053 -1.363 11.635 1.00 0.00 C ATOM 1152 C PHE A 75 -3.006 0.143 11.853 1.00 0.00 C ATOM 1153 O PHE A 75 -2.710 0.586 12.960 1.00 0.00 O ATOM 1154 CB PHE A 75 -1.758 -2.031 12.110 1.00 0.00 C ATOM 1155 CG PHE A 75 -0.482 -1.488 11.490 1.00 0.00 C ATOM 1156 CD1 PHE A 75 -0.138 -1.819 10.165 1.00 0.00 C ATOM 1157 CD2 PHE A 75 0.385 -0.679 12.252 1.00 0.00 C ATOM 1158 CE1 PHE A 75 1.077 -1.373 9.621 1.00 0.00 C ATOM 1159 CE2 PHE A 75 1.598 -0.235 11.701 1.00 0.00 C ATOM 1160 CZ PHE A 75 1.950 -0.593 10.391 1.00 0.00 C ATOM 0 H PHE A 75 -2.728 -1.199 9.573 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.884 -1.738 12.232 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.690 -1.925 13.193 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.820 -3.098 11.897 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.810 -2.417 9.567 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.116 -0.400 13.260 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.340 -1.632 8.606 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.261 0.384 12.287 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.893 -0.268 9.976 1.00 0.00 H new ATOM 1170 N LYS A 76 -3.291 0.940 10.821 1.00 0.00 N ATOM 1171 CA LYS A 76 -3.347 2.392 10.923 1.00 0.00 C ATOM 1172 C LYS A 76 -4.281 2.885 9.831 1.00 0.00 C ATOM 1173 O LYS A 76 -4.521 2.173 8.845 1.00 0.00 O ATOM 1174 CB LYS A 76 -1.924 2.978 10.869 1.00 0.00 C ATOM 1175 CG LYS A 76 -1.855 4.455 11.277 1.00 0.00 C ATOM 1176 CD LYS A 76 -0.395 4.918 11.375 1.00 0.00 C ATOM 1177 CE LYS A 76 -0.281 6.218 12.180 1.00 0.00 C ATOM 1178 NZ LYS A 76 -0.361 5.984 13.635 1.00 0.00 N ATOM 0 H LYS A 76 -3.491 0.588 9.885 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.750 2.730 11.878 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.275 2.397 11.525 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.533 2.870 9.857 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.388 5.065 10.548 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.353 4.597 12.236 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.205 4.140 11.847 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.010 5.070 10.374 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.664 6.707 11.944 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.076 6.900 11.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.279 6.891 14.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.273 5.541 13.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.413 5.355 13.928 1.00 0.00 H new ATOM 1192 N SER A 77 -4.861 4.059 10.022 1.00 0.00 N ATOM 1193 CA SER A 77 -5.902 4.587 9.163 1.00 0.00 C ATOM 1194 C SER A 77 -5.979 6.090 9.414 1.00 0.00 C ATOM 1195 O SER A 77 -6.533 6.502 10.428 1.00 0.00 O ATOM 1196 CB SER A 77 -7.218 3.843 9.419 1.00 0.00 C ATOM 1197 OG SER A 77 -7.408 3.573 10.793 1.00 0.00 O ATOM 0 H SER A 77 -4.615 4.681 10.793 1.00 0.00 H new ATOM 0 HA SER A 77 -5.684 4.432 8.106 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.051 4.439 9.047 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.221 2.907 8.861 1.00 0.00 H new ATOM 0 HG SER A 77 -8.257 3.100 10.919 1.00 0.00 H new ATOM 1203 N ASP A 78 -5.394 6.911 8.544 1.00 0.00 N ATOM 1204 CA ASP A 78 -5.416 8.380 8.658 1.00 0.00 C ATOM 1205 C ASP A 78 -6.396 8.939 7.621 1.00 0.00 C ATOM 1206 O ASP A 78 -7.096 8.164 6.955 1.00 0.00 O ATOM 1207 CB ASP A 78 -3.992 8.956 8.519 1.00 0.00 C ATOM 1208 CG ASP A 78 -3.786 10.173 9.412 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -3.731 9.995 10.647 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -3.590 11.287 8.876 1.00 0.00 O ATOM 0 H ASP A 78 -4.883 6.577 7.727 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.765 8.682 9.645 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.262 8.188 8.776 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.811 9.232 7.480 1.00 0.00 H new ATOM 1215 N ALA A 79 -6.481 10.259 7.471 1.00 0.00 N ATOM 1216 CA ALA A 79 -7.384 10.923 6.532 1.00 0.00 C ATOM 1217 C ALA A 79 -6.579 11.741 5.521 1.00 0.00 C ATOM 1218 O ALA A 79 -5.446 12.139 5.799 1.00 0.00 O ATOM 1219 CB ALA A 79 -8.377 11.790 7.312 1.00 0.00 C ATOM 0 H ALA A 79 -5.912 10.911 8.010 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.952 10.182 5.970 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.052 12.287 6.615 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.954 11.162 7.990 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.833 12.540 7.886 1.00 0.00 H new ATOM 1225 N ILE A 80 -7.174 12.002 4.357 1.00 0.00 N ATOM 1226 CA ILE A 80 -6.538 12.675 3.232 1.00 0.00 C ATOM 1227 C ILE A 80 -7.439 13.842 2.866 1.00 0.00 C ATOM 1228 O ILE A 80 -8.589 13.635 2.471 1.00 0.00 O ATOM 1229 CB ILE A 80 -6.340 11.725 2.031 1.00 0.00 C ATOM 1230 CG1 ILE A 80 -5.663 10.403 2.450 1.00 0.00 C ATOM 1231 CG2 ILE A 80 -5.512 12.443 0.946 1.00 0.00 C ATOM 1232 CD1 ILE A 80 -5.644 9.381 1.317 1.00 0.00 C ATOM 0 H ILE A 80 -8.142 11.741 4.168 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.540 13.017 3.505 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.320 11.466 1.631 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.641 10.606 2.771 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.189 9.983 3.307 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.370 11.776 0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.039 13.339 0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.541 12.722 1.355 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.158 8.467 1.659 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.666 9.156 1.013 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.094 9.789 0.469 1.00 0.00 H new ATOM 1244 N LEU A 81 -6.932 15.060 3.043 1.00 0.00 N ATOM 1245 CA LEU A 81 -7.721 16.270 2.908 1.00 0.00 C ATOM 1246 C LEU A 81 -7.399 16.937 1.575 1.00 0.00 C ATOM 1247 O LEU A 81 -6.246 17.262 1.282 1.00 0.00 O ATOM 1248 CB LEU A 81 -7.491 17.215 4.089 1.00 0.00 C ATOM 1249 CG LEU A 81 -7.705 16.577 5.485 1.00 0.00 C ATOM 1250 CD1 LEU A 81 -7.712 17.662 6.564 1.00 0.00 C ATOM 1251 CD2 LEU A 81 -9.010 15.777 5.632 1.00 0.00 C ATOM 0 H LEU A 81 -5.956 15.230 3.285 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.780 16.011 2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.473 17.601 4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.161 18.069 3.989 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.875 15.880 5.601 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.863 17.203 7.541 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.759 18.190 6.555 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.519 18.367 6.366 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.074 15.368 6.640 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.861 16.433 5.452 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.021 14.962 4.908 1.00 0.00 H new ATOM 1263 N GLY A 82 -8.423 17.161 0.758 1.00 0.00 N ATOM 1264 CA GLY A 82 -8.338 17.775 -0.559 1.00 0.00 C ATOM 1265 C GLY A 82 -8.402 19.287 -0.424 1.00 0.00 C ATOM 1266 O GLY A 82 -9.332 19.912 -0.931 1.00 0.00 O ATOM 0 H GLY A 82 -9.378 16.907 1.009 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.409 17.483 -1.048 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.154 17.422 -1.189 1.00 0.00 H new ATOM 1270 N GLN A 83 -7.438 19.861 0.297 1.00 0.00 N ATOM 1271 CA GLN A 83 -7.270 21.282 0.562 1.00 0.00 C ATOM 1272 C GLN A 83 -8.322 21.807 1.542 1.00 0.00 C ATOM 1273 O GLN A 83 -7.977 22.258 2.630 1.00 0.00 O ATOM 1274 CB GLN A 83 -7.228 22.079 -0.758 1.00 0.00 C ATOM 1275 CG GLN A 83 -6.330 23.313 -0.670 1.00 0.00 C ATOM 1276 CD GLN A 83 -4.849 22.941 -0.762 1.00 0.00 C ATOM 1277 OE1 GLN A 83 -4.158 22.829 0.245 1.00 0.00 O ATOM 1278 NE2 GLN A 83 -4.335 22.712 -1.962 1.00 0.00 N ATOM 0 H GLN A 83 -6.707 19.304 0.739 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.309 21.427 1.055 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.871 21.431 -1.559 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.239 22.388 -1.024 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.582 24.005 -1.473 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.517 23.833 0.269 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.918 22.808 -2.793 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -3.356 22.440 -2.054 1.00 0.00 H new ATOM 1287 N ASN A 84 -9.601 21.726 1.183 1.00 0.00 N ATOM 1288 CA ASN A 84 -10.746 22.332 1.870 1.00 0.00 C ATOM 1289 C ASN A 84 -11.166 21.562 3.119 1.00 0.00 C ATOM 1290 O ASN A 84 -12.340 21.575 3.480 1.00 0.00 O ATOM 1291 CB ASN A 84 -11.940 22.434 0.904 1.00 0.00 C ATOM 1292 CG ASN A 84 -11.571 23.132 -0.384 1.00 0.00 C ATOM 1293 OD1 ASN A 84 -11.618 24.351 -0.461 1.00 0.00 O ATOM 1294 ND2 ASN A 84 -11.148 22.405 -1.404 1.00 0.00 N ATOM 0 H ASN A 84 -9.886 21.204 0.354 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.431 23.324 2.194 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.311 21.434 0.680 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.753 22.975 1.389 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.856 22.861 -2.269 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.114 21.389 -1.326 1.00 0.00 H new ATOM 1301 N LYS A 85 -10.253 20.786 3.709 1.00 0.00 N ATOM 1302 CA LYS A 85 -10.544 19.728 4.674 1.00 0.00 C ATOM 1303 C LYS A 85 -11.521 18.673 4.144 1.00 0.00 C ATOM 1304 O LYS A 85 -11.983 17.835 4.913 1.00 0.00 O ATOM 1305 CB LYS A 85 -10.956 20.320 6.030 1.00 0.00 C ATOM 1306 CG LYS A 85 -9.886 21.287 6.562 1.00 0.00 C ATOM 1307 CD LYS A 85 -10.147 21.580 8.041 1.00 0.00 C ATOM 1308 CE LYS A 85 -8.964 22.315 8.672 1.00 0.00 C ATOM 1309 NZ LYS A 85 -8.928 22.094 10.128 1.00 0.00 N ATOM 0 H LYS A 85 -9.255 20.883 3.519 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.618 19.176 4.836 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.906 20.845 5.927 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.113 19.516 6.749 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.894 20.852 6.437 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.902 22.214 5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -11.050 22.183 8.142 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.326 20.646 8.574 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.033 21.968 8.224 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.040 23.382 8.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.117 22.602 10.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.808 22.447 10.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.833 21.077 10.322 1.00 0.00 H new ATOM 1323 N VAL A 86 -11.810 18.669 2.846 1.00 0.00 N ATOM 1324 CA VAL A 86 -12.642 17.658 2.202 1.00 0.00 C ATOM 1325 C VAL A 86 -11.927 16.314 2.312 1.00 0.00 C ATOM 1326 O VAL A 86 -10.790 16.212 1.860 1.00 0.00 O ATOM 1327 CB VAL A 86 -13.091 18.066 0.796 1.00 0.00 C ATOM 1328 CG1 VAL A 86 -11.918 18.576 -0.005 1.00 0.00 C ATOM 1329 CG2 VAL A 86 -13.818 16.941 0.049 1.00 0.00 C ATOM 0 H VAL A 86 -11.466 19.381 2.201 1.00 0.00 H new ATOM 0 HA VAL A 86 -13.596 17.557 2.720 1.00 0.00 H new ATOM 0 HB VAL A 86 -13.816 18.871 0.917 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -12.255 18.862 -1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -11.486 19.443 0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -11.165 17.792 -0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -14.111 17.291 -0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -13.154 16.083 -0.052 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -14.707 16.648 0.608 1.00 0.00 H new ATOM 1339 N VAL A 87 -12.534 15.306 2.930 1.00 0.00 N ATOM 1340 CA VAL A 87 -11.989 13.959 3.017 1.00 0.00 C ATOM 1341 C VAL A 87 -12.126 13.346 1.621 1.00 0.00 C ATOM 1342 O VAL A 87 -13.137 12.731 1.277 1.00 0.00 O ATOM 1343 CB VAL A 87 -12.689 13.164 4.134 1.00 0.00 C ATOM 1344 CG1 VAL A 87 -12.073 11.772 4.287 1.00 0.00 C ATOM 1345 CG2 VAL A 87 -12.552 13.879 5.491 1.00 0.00 C ATOM 0 H VAL A 87 -13.437 15.407 3.393 1.00 0.00 H new ATOM 0 HA VAL A 87 -10.936 13.949 3.299 1.00 0.00 H new ATOM 0 HB VAL A 87 -13.739 13.085 3.851 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -12.586 11.232 5.083 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -12.177 11.223 3.351 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -11.016 11.867 4.537 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -13.055 13.296 6.262 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -11.497 13.980 5.744 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -13.007 14.868 5.429 1.00 0.00 H new ATOM 1355 N ILE A 88 -11.116 13.555 0.774 1.00 0.00 N ATOM 1356 CA ILE A 88 -11.068 12.927 -0.542 1.00 0.00 C ATOM 1357 C ILE A 88 -10.916 11.412 -0.398 1.00 0.00 C ATOM 1358 O ILE A 88 -11.409 10.656 -1.236 1.00 0.00 O ATOM 1359 CB ILE A 88 -9.980 13.560 -1.437 1.00 0.00 C ATOM 1360 CG1 ILE A 88 -8.563 13.608 -0.825 1.00 0.00 C ATOM 1361 CG2 ILE A 88 -10.436 14.980 -1.793 1.00 0.00 C ATOM 1362 CD1 ILE A 88 -7.484 13.933 -1.869 1.00 0.00 C ATOM 0 H ILE A 88 -10.319 14.157 0.980 1.00 0.00 H new ATOM 0 HA ILE A 88 -12.013 13.111 -1.053 1.00 0.00 H new ATOM 0 HB ILE A 88 -9.881 12.917 -2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -8.537 14.358 -0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.338 12.648 -0.361 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -9.687 15.455 -2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -11.385 14.934 -2.326 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -10.561 15.562 -0.880 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.506 13.955 -1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.488 13.169 -2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -7.690 14.906 -2.315 1.00 0.00 H new ATOM 1374 N GLY A 89 -10.287 10.954 0.680 1.00 0.00 N ATOM 1375 CA GLY A 89 -10.058 9.552 0.936 1.00 0.00 C ATOM 1376 C GLY A 89 -9.290 9.381 2.232 1.00 0.00 C ATOM 1377 O GLY A 89 -9.194 10.320 3.030 1.00 0.00 O ATOM 0 H GLY A 89 -9.919 11.565 1.409 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.010 9.024 0.995 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.499 9.110 0.111 1.00 0.00 H new ATOM 1381 N TRP A 90 -8.734 8.187 2.443 1.00 0.00 N ATOM 1382 CA TRP A 90 -8.071 7.851 3.685 1.00 0.00 C ATOM 1383 C TRP A 90 -6.788 7.103 3.393 1.00 0.00 C ATOM 1384 O TRP A 90 -6.691 6.370 2.402 1.00 0.00 O ATOM 1385 CB TRP A 90 -9.001 6.992 4.523 1.00 0.00 C ATOM 1386 CG TRP A 90 -10.266 7.660 4.919 1.00 0.00 C ATOM 1387 CD1 TRP A 90 -10.420 8.477 5.980 1.00 0.00 C ATOM 1388 CD2 TRP A 90 -11.533 7.666 4.206 1.00 0.00 C ATOM 1389 NE1 TRP A 90 -11.707 8.962 5.988 1.00 0.00 N ATOM 1390 CE2 TRP A 90 -12.449 8.470 4.939 1.00 0.00 C ATOM 1391 CE3 TRP A 90 -11.990 7.101 2.997 1.00 0.00 C ATOM 1392 CZ2 TRP A 90 -13.767 8.676 4.523 1.00 0.00 C ATOM 1393 CZ3 TRP A 90 -13.309 7.320 2.559 1.00 0.00 C ATOM 1394 CH2 TRP A 90 -14.198 8.091 3.325 1.00 0.00 C ATOM 0 H TRP A 90 -8.735 7.434 1.755 1.00 0.00 H new ATOM 0 HA TRP A 90 -7.826 8.761 4.233 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -9.242 6.088 3.964 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -8.473 6.679 5.424 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -9.656 8.713 6.706 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -12.068 9.609 6.688 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -11.322 6.495 2.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -14.442 9.276 5.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -13.641 6.891 1.625 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -15.215 8.233 2.990 1.00 0.00 H new ATOM 1405 N ASP A 91 -5.825 7.293 4.285 1.00 0.00 N ATOM 1406 CA ASP A 91 -4.580 6.556 4.298 1.00 0.00 C ATOM 1407 C ASP A 91 -4.896 5.263 5.045 1.00 0.00 C ATOM 1408 O ASP A 91 -4.812 5.267 6.271 1.00 0.00 O ATOM 1409 CB ASP A 91 -3.490 7.354 5.054 1.00 0.00 C ATOM 1410 CG ASP A 91 -2.582 8.272 4.235 1.00 0.00 C ATOM 1411 OD1 ASP A 91 -2.929 8.647 3.090 1.00 0.00 O ATOM 1412 OD2 ASP A 91 -1.466 8.556 4.721 1.00 0.00 O ATOM 0 H ASP A 91 -5.895 7.981 5.035 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.203 6.371 3.292 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.985 7.961 5.812 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.857 6.640 5.581 1.00 0.00 H new ATOM 1417 N LYS A 92 -5.335 4.186 4.385 1.00 0.00 N ATOM 1418 CA LYS A 92 -5.373 2.863 5.041 1.00 0.00 C ATOM 1419 C LYS A 92 -4.012 2.174 4.847 1.00 0.00 C ATOM 1420 O LYS A 92 -3.654 1.823 3.721 1.00 0.00 O ATOM 1421 CB LYS A 92 -6.510 1.960 4.534 1.00 0.00 C ATOM 1422 CG LYS A 92 -7.936 2.287 5.020 1.00 0.00 C ATOM 1423 CD LYS A 92 -8.491 3.602 4.464 1.00 0.00 C ATOM 1424 CE LYS A 92 -10.032 3.658 4.408 1.00 0.00 C ATOM 1425 NZ LYS A 92 -10.686 4.298 5.575 1.00 0.00 N ATOM 0 H LYS A 92 -5.663 4.195 3.419 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.575 3.027 6.100 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.508 1.993 3.445 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.281 0.934 4.822 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -8.603 1.473 4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.937 2.334 6.109 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.130 4.426 5.079 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.095 3.756 3.460 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -10.327 4.196 3.507 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -10.413 2.641 4.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -11.610 3.851 5.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -10.086 4.182 6.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -10.822 5.311 5.384 1.00 0.00 H new ATOM 1439 N TYR A 93 -3.278 1.984 5.944 1.00 0.00 N ATOM 1440 CA TYR A 93 -1.936 1.406 5.991 1.00 0.00 C ATOM 1441 C TYR A 93 -2.030 -0.124 6.113 1.00 0.00 C ATOM 1442 O TYR A 93 -3.029 -0.621 6.637 1.00 0.00 O ATOM 1443 CB TYR A 93 -1.217 1.944 7.241 1.00 0.00 C ATOM 1444 CG TYR A 93 -0.956 3.445 7.324 1.00 0.00 C ATOM 1445 CD1 TYR A 93 -2.020 4.343 7.532 1.00 0.00 C ATOM 1446 CD2 TYR A 93 0.361 3.948 7.306 1.00 0.00 C ATOM 1447 CE1 TYR A 93 -1.787 5.716 7.673 1.00 0.00 C ATOM 1448 CE2 TYR A 93 0.605 5.329 7.442 1.00 0.00 C ATOM 1449 CZ TYR A 93 -0.476 6.225 7.601 1.00 0.00 C ATOM 1450 OH TYR A 93 -0.268 7.569 7.677 1.00 0.00 O ATOM 0 H TYR A 93 -3.621 2.242 6.869 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.395 1.670 5.083 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.804 1.658 8.114 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.258 1.433 7.321 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.031 3.967 7.584 1.00 0.00 H new ATOM 0 HD2 TYR A 93 1.191 3.268 7.187 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.616 6.388 7.838 1.00 0.00 H new ATOM 0 HE2 TYR A 93 1.618 5.703 7.425 1.00 0.00 H new ATOM 0 HH TYR A 93 -0.582 7.996 6.852 1.00 0.00 H new ATOM 1460 N PHE A 94 -0.977 -0.880 5.753 1.00 0.00 N ATOM 1461 CA PHE A 94 -0.923 -2.352 5.870 1.00 0.00 C ATOM 1462 C PHE A 94 0.405 -2.851 6.428 1.00 0.00 C ATOM 1463 O PHE A 94 1.414 -2.197 6.182 1.00 0.00 O ATOM 1464 CB PHE A 94 -1.110 -2.982 4.484 1.00 0.00 C ATOM 1465 CG PHE A 94 -2.431 -2.587 3.864 1.00 0.00 C ATOM 1466 CD1 PHE A 94 -3.635 -3.014 4.456 1.00 0.00 C ATOM 1467 CD2 PHE A 94 -2.453 -1.709 2.770 1.00 0.00 C ATOM 1468 CE1 PHE A 94 -4.869 -2.579 3.939 1.00 0.00 C ATOM 1469 CE2 PHE A 94 -3.691 -1.265 2.270 1.00 0.00 C ATOM 1470 CZ PHE A 94 -4.898 -1.693 2.852 1.00 0.00 C ATOM 0 H PHE A 94 -0.123 -0.479 5.365 1.00 0.00 H new ATOM 0 HA PHE A 94 -1.718 -2.640 6.558 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.294 -2.673 3.831 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -1.057 -4.068 4.568 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -3.611 -3.677 5.308 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -1.530 -1.378 2.317 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -5.792 -2.927 4.378 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.715 -0.587 1.429 1.00 0.00 H new ATOM 0 HZ PHE A 94 -5.842 -1.341 2.464 1.00 0.00 H new ATOM 1480 N GLU A 95 0.408 -4.011 7.100 1.00 0.00 N ATOM 1481 CA GLU A 95 1.595 -4.698 7.628 1.00 0.00 C ATOM 1482 C GLU A 95 1.866 -6.007 6.876 1.00 0.00 C ATOM 1483 O GLU A 95 1.670 -7.086 7.428 1.00 0.00 O ATOM 1484 CB GLU A 95 1.371 -4.981 9.121 1.00 0.00 C ATOM 1485 CG GLU A 95 2.676 -5.321 9.854 1.00 0.00 C ATOM 1486 CD GLU A 95 2.552 -5.222 11.376 1.00 0.00 C ATOM 1487 OE1 GLU A 95 1.425 -5.285 11.928 1.00 0.00 O ATOM 1488 OE2 GLU A 95 3.592 -5.069 12.049 1.00 0.00 O ATOM 0 H GLU A 95 -0.454 -4.518 7.299 1.00 0.00 H new ATOM 0 HA GLU A 95 2.467 -4.058 7.491 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.911 -4.110 9.588 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.670 -5.808 9.230 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.984 -6.331 9.585 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.463 -4.647 9.515 1.00 0.00 H new ATOM 1495 N ILE A 96 2.233 -5.958 5.598 1.00 0.00 N ATOM 1496 CA ILE A 96 2.365 -7.194 4.825 1.00 0.00 C ATOM 1497 C ILE A 96 3.635 -7.940 5.293 1.00 0.00 C ATOM 1498 O ILE A 96 4.654 -7.292 5.528 1.00 0.00 O ATOM 1499 CB ILE A 96 2.335 -6.925 3.298 1.00 0.00 C ATOM 1500 CG1 ILE A 96 1.298 -5.855 2.878 1.00 0.00 C ATOM 1501 CG2 ILE A 96 1.977 -8.207 2.529 1.00 0.00 C ATOM 1502 CD1 ILE A 96 1.878 -4.444 2.750 1.00 0.00 C ATOM 0 H ILE A 96 2.440 -5.101 5.085 1.00 0.00 H new ATOM 0 HA ILE A 96 1.506 -7.839 5.010 1.00 0.00 H new ATOM 0 HB ILE A 96 3.336 -6.567 3.057 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.859 -6.144 1.923 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.490 -5.840 3.609 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.961 -7.997 1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.721 -8.976 2.737 1.00 0.00 H new ATOM 0 HG23 ILE A 96 0.995 -8.558 2.844 1.00 0.00 H new ATOM 0 HD11 ILE A 96 1.090 -3.752 2.453 1.00 0.00 H new ATOM 0 HD12 ILE A 96 2.292 -4.132 3.709 1.00 0.00 H new ATOM 0 HD13 ILE A 96 2.666 -4.441 1.997 1.00 0.00 H new ATOM 1514 N PRO A 97 3.631 -9.279 5.420 1.00 0.00 N ATOM 1515 CA PRO A 97 4.859 -10.063 5.460 1.00 0.00 C ATOM 1516 C PRO A 97 5.557 -10.007 4.111 1.00 0.00 C ATOM 1517 O PRO A 97 4.926 -10.116 3.063 1.00 0.00 O ATOM 1518 CB PRO A 97 4.438 -11.503 5.738 1.00 0.00 C ATOM 1519 CG PRO A 97 3.012 -11.555 5.204 1.00 0.00 C ATOM 1520 CD PRO A 97 2.481 -10.159 5.488 1.00 0.00 C ATOM 0 HA PRO A 97 5.542 -9.681 6.219 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.085 -12.218 5.229 1.00 0.00 H new ATOM 0 HB3 PRO A 97 4.479 -11.737 6.802 1.00 0.00 H new ATOM 0 HG2 PRO A 97 2.990 -11.785 4.139 1.00 0.00 H new ATOM 0 HG3 PRO A 97 2.421 -12.320 5.708 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.725 -9.872 4.757 1.00 0.00 H new ATOM 0 HD3 PRO A 97 2.010 -10.112 6.470 1.00 0.00 H new ATOM 1528 N MET A 98 6.878 -9.934 4.137 1.00 0.00 N ATOM 1529 CA MET A 98 7.692 -10.129 2.950 1.00 0.00 C ATOM 1530 C MET A 98 7.719 -11.603 2.523 1.00 0.00 C ATOM 1531 O MET A 98 7.706 -11.867 1.321 1.00 0.00 O ATOM 1532 CB MET A 98 9.103 -9.592 3.212 1.00 0.00 C ATOM 1533 CG MET A 98 9.142 -8.057 3.165 1.00 0.00 C ATOM 1534 SD MET A 98 10.683 -7.340 3.776 1.00 0.00 S ATOM 1535 CE MET A 98 10.232 -5.593 3.951 1.00 0.00 C ATOM 0 H MET A 98 7.415 -9.738 4.982 1.00 0.00 H new ATOM 0 HA MET A 98 7.251 -9.574 2.122 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.448 -9.936 4.187 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.791 -9.997 2.469 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.985 -7.731 2.137 1.00 0.00 H new ATOM 0 HG3 MET A 98 8.313 -7.665 3.754 1.00 0.00 H new ATOM 0 HE1 MET A 98 10.998 -5.076 4.529 1.00 0.00 H new ATOM 0 HE2 MET A 98 10.153 -5.137 2.964 1.00 0.00 H new ATOM 0 HE3 MET A 98 9.274 -5.514 4.465 1.00 0.00 H new ATOM 1545 N ASP A 99 7.741 -12.574 3.450 1.00 0.00 N ATOM 1546 CA ASP A 99 8.036 -13.982 3.106 1.00 0.00 C ATOM 1547 C ASP A 99 6.794 -14.789 2.690 1.00 0.00 C ATOM 1548 O ASP A 99 6.912 -15.904 2.182 1.00 0.00 O ATOM 1549 CB ASP A 99 8.775 -14.699 4.254 1.00 0.00 C ATOM 1550 CG ASP A 99 9.455 -16.006 3.821 1.00 0.00 C ATOM 1551 OD1 ASP A 99 9.867 -16.102 2.644 1.00 0.00 O ATOM 1552 OD2 ASP A 99 9.658 -16.888 4.695 1.00 0.00 O ATOM 0 H ASP A 99 7.559 -12.415 4.441 1.00 0.00 H new ATOM 0 HA ASP A 99 8.687 -13.936 2.233 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.527 -14.027 4.668 1.00 0.00 H new ATOM 0 HB3 ASP A 99 8.066 -14.915 5.053 1.00 0.00 H new ATOM 1557 N ALA A 100 5.586 -14.233 2.838 1.00 0.00 N ATOM 1558 CA ALA A 100 4.327 -14.909 2.485 1.00 0.00 C ATOM 1559 C ALA A 100 3.716 -14.380 1.170 1.00 0.00 C ATOM 1560 O ALA A 100 2.503 -14.461 0.960 1.00 0.00 O ATOM 1561 CB ALA A 100 3.339 -14.834 3.655 1.00 0.00 C ATOM 0 H ALA A 100 5.451 -13.293 3.209 1.00 0.00 H new ATOM 0 HA ALA A 100 4.555 -15.958 2.299 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.412 -15.338 3.381 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.772 -15.321 4.529 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.130 -13.790 3.888 1.00 0.00 H new ATOM 1567 N LEU A 101 4.535 -13.806 0.285 1.00 0.00 N ATOM 1568 CA LEU A 101 4.094 -13.242 -0.978 1.00 0.00 C ATOM 1569 C LEU A 101 4.356 -14.188 -2.157 1.00 0.00 C ATOM 1570 O LEU A 101 5.240 -15.040 -2.123 1.00 0.00 O ATOM 1571 CB LEU A 101 4.771 -11.873 -1.140 1.00 0.00 C ATOM 1572 CG LEU A 101 4.138 -10.810 -0.214 1.00 0.00 C ATOM 1573 CD1 LEU A 101 4.993 -9.546 -0.220 1.00 0.00 C ATOM 1574 CD2 LEU A 101 2.709 -10.441 -0.632 1.00 0.00 C ATOM 0 H LEU A 101 5.540 -13.722 0.436 1.00 0.00 H new ATOM 0 HA LEU A 101 3.012 -13.108 -0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.834 -11.964 -0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.690 -11.547 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 101 4.094 -11.245 0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.543 -8.799 0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.996 -9.783 0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.052 -9.151 -1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.312 -9.691 0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.719 -10.039 -1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.079 -11.330 -0.600 1.00 0.00 H new ATOM 1586 N GLN A 102 3.524 -14.062 -3.190 1.00 0.00 N ATOM 1587 CA GLN A 102 3.508 -14.857 -4.406 1.00 0.00 C ATOM 1588 C GLN A 102 4.597 -14.414 -5.381 1.00 0.00 C ATOM 1589 O GLN A 102 5.111 -15.229 -6.133 1.00 0.00 O ATOM 1590 CB GLN A 102 2.142 -14.628 -5.070 1.00 0.00 C ATOM 1591 CG GLN A 102 1.732 -15.727 -6.043 1.00 0.00 C ATOM 1592 CD GLN A 102 0.467 -15.321 -6.789 1.00 0.00 C ATOM 1593 OE1 GLN A 102 0.524 -14.970 -7.962 1.00 0.00 O ATOM 1594 NE2 GLN A 102 -0.683 -15.291 -6.134 1.00 0.00 N ATOM 0 H GLN A 102 2.794 -13.350 -3.194 1.00 0.00 H new ATOM 0 HA GLN A 102 3.683 -15.904 -4.158 1.00 0.00 H new ATOM 0 HB2 GLN A 102 1.382 -14.543 -4.293 1.00 0.00 H new ATOM 0 HB3 GLN A 102 2.163 -13.676 -5.601 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.538 -15.914 -6.753 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.561 -16.658 -5.502 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -0.722 -15.585 -5.158 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.530 -14.974 -6.605 1.00 0.00 H new ATOM 1603 N ASP A 103 4.920 -13.123 -5.381 1.00 0.00 N ATOM 1604 CA ASP A 103 5.884 -12.451 -6.254 1.00 0.00 C ATOM 1605 C ASP A 103 6.793 -11.622 -5.344 1.00 0.00 C ATOM 1606 O ASP A 103 6.338 -11.179 -4.278 1.00 0.00 O ATOM 1607 CB ASP A 103 5.179 -11.433 -7.183 1.00 0.00 C ATOM 1608 CG ASP A 103 4.283 -11.968 -8.301 1.00 0.00 C ATOM 1609 OD1 ASP A 103 4.556 -13.055 -8.860 1.00 0.00 O ATOM 1610 OD2 ASP A 103 3.388 -11.206 -8.741 1.00 0.00 O ATOM 0 H ASP A 103 4.486 -12.472 -4.726 1.00 0.00 H new ATOM 0 HA ASP A 103 6.408 -13.198 -6.850 1.00 0.00 H new ATOM 0 HB2 ASP A 103 4.574 -10.777 -6.558 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.949 -10.814 -7.643 1.00 0.00 H new ATOM 1615 N ASN A 104 7.992 -11.241 -5.796 1.00 0.00 N ATOM 1616 CA ASN A 104 8.733 -10.088 -5.272 1.00 0.00 C ATOM 1617 C ASN A 104 8.080 -8.770 -5.731 1.00 0.00 C ATOM 1618 O ASN A 104 8.766 -7.826 -6.096 1.00 0.00 O ATOM 1619 CB ASN A 104 10.208 -10.139 -5.711 1.00 0.00 C ATOM 1620 CG ASN A 104 11.054 -11.111 -4.918 1.00 0.00 C ATOM 1621 OD1 ASN A 104 10.700 -12.274 -4.740 1.00 0.00 O ATOM 1622 ND2 ASN A 104 12.176 -10.620 -4.439 1.00 0.00 N ATOM 0 H ASN A 104 8.482 -11.730 -6.545 1.00 0.00 H new ATOM 0 HA ASN A 104 8.699 -10.130 -4.183 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.253 -10.411 -6.766 1.00 0.00 H new ATOM 0 HB3 ASN A 104 10.638 -9.141 -5.620 1.00 0.00 H new ATOM 0 HD21 ASN A 104 12.799 -11.213 -3.891 1.00 0.00 H new ATOM 0 HD22 ASN A 104 12.423 -9.646 -4.616 1.00 0.00 H new ATOM 1629 N SER A 105 6.749 -8.682 -5.797 1.00 0.00 N ATOM 1630 CA SER A 105 6.079 -7.416 -6.043 1.00 0.00 C ATOM 1631 C SER A 105 4.803 -7.340 -5.222 1.00 0.00 C ATOM 1632 O SER A 105 4.067 -8.327 -5.139 1.00 0.00 O ATOM 1633 CB SER A 105 5.853 -7.196 -7.553 1.00 0.00 C ATOM 1634 OG SER A 105 5.088 -8.208 -8.176 1.00 0.00 O ATOM 0 H SER A 105 6.120 -9.476 -5.683 1.00 0.00 H new ATOM 0 HA SER A 105 6.716 -6.594 -5.717 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.355 -6.237 -7.699 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.822 -7.131 -8.049 1.00 0.00 H new ATOM 0 HG SER A 105 5.618 -8.629 -8.885 1.00 0.00 H new ATOM 1640 N ILE A 106 4.542 -6.198 -4.593 1.00 0.00 N ATOM 1641 CA ILE A 106 3.262 -5.938 -3.954 1.00 0.00 C ATOM 1642 C ILE A 106 2.287 -5.436 -5.038 1.00 0.00 C ATOM 1643 O ILE A 106 2.686 -5.070 -6.147 1.00 0.00 O ATOM 1644 CB ILE A 106 3.501 -4.998 -2.747 1.00 0.00 C ATOM 1645 CG1 ILE A 106 2.422 -5.109 -1.637 1.00 0.00 C ATOM 1646 CG2 ILE A 106 3.828 -3.554 -3.171 1.00 0.00 C ATOM 1647 CD1 ILE A 106 1.293 -4.072 -1.655 1.00 0.00 C ATOM 0 H ILE A 106 5.210 -5.432 -4.514 1.00 0.00 H new ATOM 0 HA ILE A 106 2.790 -6.823 -3.528 1.00 0.00 H new ATOM 0 HB ILE A 106 4.406 -5.366 -2.264 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.972 -6.100 -1.700 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.923 -5.047 -0.671 1.00 0.00 H new ATOM 0 HG21 ILE A 106 3.986 -2.941 -2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.732 -3.550 -3.780 1.00 0.00 H new ATOM 0 HG23 ILE A 106 2.998 -3.148 -3.750 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.610 -4.264 -0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 106 1.715 -3.072 -1.552 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.750 -4.141 -2.598 1.00 0.00 H new ATOM 1659 N GLN A 107 0.995 -5.471 -4.719 1.00 0.00 N ATOM 1660 CA GLN A 107 -0.121 -4.897 -5.455 1.00 0.00 C ATOM 1661 C GLN A 107 -1.350 -5.105 -4.573 1.00 0.00 C ATOM 1662 O GLN A 107 -1.536 -6.196 -4.026 1.00 0.00 O ATOM 1663 CB GLN A 107 -0.314 -5.636 -6.797 1.00 0.00 C ATOM 1664 CG GLN A 107 -1.597 -5.213 -7.528 1.00 0.00 C ATOM 1665 CD GLN A 107 -1.788 -5.921 -8.858 1.00 0.00 C ATOM 1666 OE1 GLN A 107 -1.497 -7.106 -9.000 1.00 0.00 O ATOM 1667 NE2 GLN A 107 -2.346 -5.215 -9.812 1.00 0.00 N ATOM 0 H GLN A 107 0.680 -5.940 -3.870 1.00 0.00 H new ATOM 0 HA GLN A 107 0.049 -3.844 -5.679 1.00 0.00 H new ATOM 0 HB2 GLN A 107 0.545 -5.444 -7.440 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.342 -6.710 -6.615 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -2.456 -5.417 -6.889 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -1.573 -4.136 -7.697 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -2.572 -4.233 -9.654 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.554 -5.648 -10.712 1.00 0.00 H new ATOM 1676 N ILE A 108 -2.241 -4.125 -4.490 1.00 0.00 N ATOM 1677 CA ILE A 108 -3.479 -4.184 -3.717 1.00 0.00 C ATOM 1678 C ILE A 108 -4.646 -4.142 -4.714 1.00 0.00 C ATOM 1679 O ILE A 108 -4.484 -3.667 -5.837 1.00 0.00 O ATOM 1680 CB ILE A 108 -3.484 -3.031 -2.684 1.00 0.00 C ATOM 1681 CG1 ILE A 108 -2.184 -3.063 -1.840 1.00 0.00 C ATOM 1682 CG2 ILE A 108 -4.719 -3.130 -1.777 1.00 0.00 C ATOM 1683 CD1 ILE A 108 -2.167 -2.115 -0.640 1.00 0.00 C ATOM 0 H ILE A 108 -2.119 -3.236 -4.975 1.00 0.00 H new ATOM 0 HA ILE A 108 -3.574 -5.103 -3.139 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.527 -2.082 -3.219 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -2.026 -4.080 -1.482 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.342 -2.819 -2.488 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -4.708 -2.312 -1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -5.622 -3.066 -2.384 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -4.705 -4.082 -1.246 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -1.217 -2.211 -0.114 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -2.289 -1.088 -0.986 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -2.983 -2.369 0.036 1.00 0.00 H new ATOM 1695 N LYS A 109 -5.817 -4.670 -4.348 1.00 0.00 N ATOM 1696 CA LYS A 109 -7.037 -4.562 -5.147 1.00 0.00 C ATOM 1697 C LYS A 109 -8.249 -4.519 -4.211 1.00 0.00 C ATOM 1698 O LYS A 109 -8.127 -4.950 -3.060 1.00 0.00 O ATOM 1699 CB LYS A 109 -7.099 -5.697 -6.195 1.00 0.00 C ATOM 1700 CG LYS A 109 -6.897 -7.130 -5.657 1.00 0.00 C ATOM 1701 CD LYS A 109 -5.825 -7.931 -6.419 1.00 0.00 C ATOM 1702 CE LYS A 109 -4.410 -7.349 -6.301 1.00 0.00 C ATOM 1703 NZ LYS A 109 -3.875 -7.535 -4.932 1.00 0.00 N ATOM 0 H LYS A 109 -5.944 -5.189 -3.479 1.00 0.00 H new ATOM 0 HA LYS A 109 -7.041 -3.633 -5.718 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -8.067 -5.651 -6.694 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -6.340 -5.505 -6.954 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -6.619 -7.078 -4.604 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -7.845 -7.666 -5.710 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -5.818 -8.955 -6.046 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -6.101 -7.977 -7.472 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -3.752 -7.834 -7.022 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -4.427 -6.288 -6.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.946 -7.074 -4.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -4.528 -7.110 -4.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -3.775 -8.551 -4.733 1.00 0.00 H new ATOM 1717 N ALA A 110 -9.385 -3.979 -4.659 1.00 0.00 N ATOM 1718 CA ALA A 110 -10.623 -3.903 -3.881 1.00 0.00 C ATOM 1719 C ALA A 110 -11.834 -3.721 -4.814 1.00 0.00 C ATOM 1720 O ALA A 110 -11.683 -3.193 -5.917 1.00 0.00 O ATOM 1721 CB ALA A 110 -10.543 -2.711 -2.917 1.00 0.00 C ATOM 0 H ALA A 110 -9.471 -3.574 -5.591 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.745 -4.830 -3.321 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.463 -2.651 -2.336 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.696 -2.844 -2.244 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.413 -1.791 -3.486 1.00 0.00 H new ATOM 1727 N LEU A 111 -13.031 -4.090 -4.348 1.00 0.00 N ATOM 1728 CA LEU A 111 -14.318 -3.809 -4.980 1.00 0.00 C ATOM 1729 C LEU A 111 -14.725 -2.374 -4.664 1.00 0.00 C ATOM 1730 O LEU A 111 -14.653 -1.937 -3.514 1.00 0.00 O ATOM 1731 CB LEU A 111 -15.368 -4.802 -4.446 1.00 0.00 C ATOM 1732 CG LEU A 111 -16.810 -4.728 -4.985 1.00 0.00 C ATOM 1733 CD1 LEU A 111 -17.710 -3.836 -4.130 1.00 0.00 C ATOM 1734 CD2 LEU A 111 -16.968 -4.425 -6.473 1.00 0.00 C ATOM 0 H LEU A 111 -13.131 -4.617 -3.480 1.00 0.00 H new ATOM 0 HA LEU A 111 -14.244 -3.923 -6.061 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -14.996 -5.809 -4.638 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -15.415 -4.681 -3.364 1.00 0.00 H new ATOM 0 HG LEU A 111 -17.152 -5.759 -4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -18.714 -3.819 -4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -17.752 -4.228 -3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -17.307 -2.823 -4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -18.027 -4.400 -6.729 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -16.517 -3.458 -6.697 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -16.472 -5.201 -7.057 1.00 0.00 H new ATOM 1746 N SER A 112 -15.213 -1.674 -5.679 1.00 0.00 N ATOM 1747 CA SER A 112 -15.775 -0.339 -5.595 1.00 0.00 C ATOM 1748 C SER A 112 -17.273 -0.451 -5.305 1.00 0.00 C ATOM 1749 O SER A 112 -17.723 -0.163 -4.193 1.00 0.00 O ATOM 1750 CB SER A 112 -15.474 0.394 -6.912 1.00 0.00 C ATOM 1751 OG SER A 112 -16.137 1.635 -6.967 1.00 0.00 O ATOM 0 H SER A 112 -15.227 -2.043 -6.630 1.00 0.00 H new ATOM 0 HA SER A 112 -15.332 0.239 -4.784 1.00 0.00 H new ATOM 0 HB2 SER A 112 -14.399 0.548 -7.008 1.00 0.00 H new ATOM 0 HB3 SER A 112 -15.784 -0.224 -7.754 1.00 0.00 H new ATOM 0 HG SER A 112 -15.550 2.335 -6.612 1.00 0.00 H new ATOM 1757 N SER A 113 -18.053 -0.896 -6.290 1.00 0.00 N ATOM 1758 CA SER A 113 -19.505 -0.951 -6.279 1.00 0.00 C ATOM 1759 C SER A 113 -19.917 -2.014 -7.288 1.00 0.00 C ATOM 1760 O SER A 113 -19.189 -2.237 -8.259 1.00 0.00 O ATOM 1761 CB SER A 113 -20.030 0.429 -6.695 1.00 0.00 C ATOM 1762 OG SER A 113 -21.436 0.495 -6.596 1.00 0.00 O ATOM 0 H SER A 113 -17.661 -1.246 -7.164 1.00 0.00 H new ATOM 0 HA SER A 113 -19.908 -1.200 -5.297 1.00 0.00 H new ATOM 0 HB2 SER A 113 -19.583 1.196 -6.063 1.00 0.00 H new ATOM 0 HB3 SER A 113 -19.725 0.642 -7.720 1.00 0.00 H new ATOM 0 HG SER A 113 -21.741 1.386 -6.866 1.00 0.00 H new ATOM 1768 N GLY A 114 -21.084 -2.637 -7.113 1.00 0.00 N ATOM 1769 CA GLY A 114 -21.595 -3.679 -7.995 1.00 0.00 C ATOM 1770 C GLY A 114 -20.605 -4.827 -8.097 1.00 0.00 C ATOM 1771 O GLY A 114 -20.501 -5.643 -7.182 1.00 0.00 O ATOM 0 H GLY A 114 -21.711 -2.424 -6.337 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -22.549 -4.047 -7.617 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -21.783 -3.265 -8.986 1.00 0.00 H new ATOM 1775 N THR A 115 -19.866 -4.869 -9.199 1.00 0.00 N ATOM 1776 CA THR A 115 -18.876 -5.902 -9.463 1.00 0.00 C ATOM 1777 C THR A 115 -17.504 -5.259 -9.785 1.00 0.00 C ATOM 1778 O THR A 115 -16.493 -5.957 -9.849 1.00 0.00 O ATOM 1779 CB THR A 115 -19.498 -6.818 -10.519 1.00 0.00 C ATOM 1780 OG1 THR A 115 -19.000 -8.136 -10.457 1.00 0.00 O ATOM 1781 CG2 THR A 115 -19.220 -6.222 -11.879 1.00 0.00 C ATOM 0 H THR A 115 -19.940 -4.176 -9.944 1.00 0.00 H new ATOM 0 HA THR A 115 -18.635 -6.531 -8.606 1.00 0.00 H new ATOM 0 HB THR A 115 -20.569 -6.885 -10.330 1.00 0.00 H new ATOM 0 HG1 THR A 115 -19.429 -8.681 -11.150 1.00 0.00 H new ATOM 0 HG21 THR A 115 -19.654 -6.858 -12.651 1.00 0.00 H new ATOM 0 HG22 THR A 115 -19.662 -5.227 -11.938 1.00 0.00 H new ATOM 0 HG23 THR A 115 -18.143 -6.150 -12.032 1.00 0.00 H new ATOM 1789 N THR A 116 -17.486 -3.933 -9.962 1.00 0.00 N ATOM 1790 CA THR A 116 -16.413 -3.067 -10.434 1.00 0.00 C ATOM 1791 C THR A 116 -15.235 -3.155 -9.464 1.00 0.00 C ATOM 1792 O THR A 116 -15.295 -2.639 -8.347 1.00 0.00 O ATOM 1793 CB THR A 116 -16.945 -1.617 -10.533 1.00 0.00 C ATOM 1794 OG1 THR A 116 -18.361 -1.571 -10.638 1.00 0.00 O ATOM 1795 CG2 THR A 116 -16.379 -0.822 -11.703 1.00 0.00 C ATOM 0 H THR A 116 -18.320 -3.385 -9.753 1.00 0.00 H new ATOM 0 HA THR A 116 -16.072 -3.381 -11.420 1.00 0.00 H new ATOM 0 HB THR A 116 -16.608 -1.159 -9.603 1.00 0.00 H new ATOM 0 HG1 THR A 116 -18.751 -1.446 -9.748 1.00 0.00 H new ATOM 0 HG21 THR A 116 -16.803 0.182 -11.700 1.00 0.00 H new ATOM 0 HG22 THR A 116 -15.295 -0.759 -11.609 1.00 0.00 H new ATOM 0 HG23 THR A 116 -16.634 -1.320 -12.638 1.00 0.00 H new ATOM 1803 N PHE A 117 -14.178 -3.842 -9.868 1.00 0.00 N ATOM 1804 CA PHE A 117 -12.999 -4.086 -9.052 1.00 0.00 C ATOM 1805 C PHE A 117 -11.857 -3.229 -9.585 1.00 0.00 C ATOM 1806 O PHE A 117 -11.753 -3.025 -10.796 1.00 0.00 O ATOM 1807 CB PHE A 117 -12.668 -5.583 -9.071 1.00 0.00 C ATOM 1808 CG PHE A 117 -12.381 -6.169 -7.703 1.00 0.00 C ATOM 1809 CD1 PHE A 117 -11.069 -6.192 -7.192 1.00 0.00 C ATOM 1810 CD2 PHE A 117 -13.436 -6.714 -6.949 1.00 0.00 C ATOM 1811 CE1 PHE A 117 -10.821 -6.759 -5.927 1.00 0.00 C ATOM 1812 CE2 PHE A 117 -13.182 -7.288 -5.693 1.00 0.00 C ATOM 1813 CZ PHE A 117 -11.876 -7.310 -5.181 1.00 0.00 C ATOM 0 H PHE A 117 -14.115 -4.256 -10.798 1.00 0.00 H new ATOM 0 HA PHE A 117 -13.173 -3.809 -8.012 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -13.502 -6.123 -9.518 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -11.802 -5.745 -9.713 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -10.256 -5.776 -7.768 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -14.444 -6.691 -7.337 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -9.817 -6.770 -5.529 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -13.993 -7.713 -5.120 1.00 0.00 H new ATOM 0 HZ PHE A 117 -11.682 -7.750 -4.214 1.00 0.00 H new ATOM 1823 N VAL A 118 -11.008 -2.728 -8.691 1.00 0.00 N ATOM 1824 CA VAL A 118 -9.931 -1.806 -9.023 1.00 0.00 C ATOM 1825 C VAL A 118 -8.646 -2.405 -8.463 1.00 0.00 C ATOM 1826 O VAL A 118 -8.616 -2.883 -7.324 1.00 0.00 O ATOM 1827 CB VAL A 118 -10.220 -0.385 -8.478 1.00 0.00 C ATOM 1828 CG1 VAL A 118 -9.299 0.640 -9.163 1.00 0.00 C ATOM 1829 CG2 VAL A 118 -11.673 0.073 -8.708 1.00 0.00 C ATOM 0 H VAL A 118 -11.052 -2.957 -7.698 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.836 -1.682 -10.102 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.041 -0.437 -7.404 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.510 1.636 -8.773 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.258 0.385 -8.963 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -9.476 0.626 -10.238 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -11.807 1.076 -8.302 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -11.887 0.082 -9.777 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -12.355 -0.615 -8.208 1.00 0.00 H new ATOM 1839 N TYR A 119 -7.585 -2.377 -9.266 1.00 0.00 N ATOM 1840 CA TYR A 119 -6.292 -2.967 -8.959 1.00 0.00 C ATOM 1841 C TYR A 119 -5.245 -1.855 -8.984 1.00 0.00 C ATOM 1842 O TYR A 119 -5.230 -1.024 -9.903 1.00 0.00 O ATOM 1843 CB TYR A 119 -5.960 -4.041 -10.007 1.00 0.00 C ATOM 1844 CG TYR A 119 -6.927 -5.202 -10.104 1.00 0.00 C ATOM 1845 CD1 TYR A 119 -8.207 -5.005 -10.651 1.00 0.00 C ATOM 1846 CD2 TYR A 119 -6.537 -6.493 -9.702 1.00 0.00 C ATOM 1847 CE1 TYR A 119 -9.119 -6.068 -10.716 1.00 0.00 C ATOM 1848 CE2 TYR A 119 -7.450 -7.562 -9.766 1.00 0.00 C ATOM 1849 CZ TYR A 119 -8.756 -7.353 -10.255 1.00 0.00 C ATOM 1850 OH TYR A 119 -9.640 -8.390 -10.285 1.00 0.00 O ATOM 0 H TYR A 119 -7.607 -1.926 -10.180 1.00 0.00 H new ATOM 0 HA TYR A 119 -6.305 -3.437 -7.976 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -5.903 -3.560 -10.984 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -4.969 -4.438 -9.788 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -8.489 -4.031 -11.023 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -5.533 -6.664 -9.343 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -10.106 -5.903 -11.122 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -7.149 -8.546 -9.439 1.00 0.00 H new ATOM 0 HH TYR A 119 -9.211 -9.196 -9.928 1.00 0.00 H new ATOM 1860 N SER A 120 -4.357 -1.840 -7.990 1.00 0.00 N ATOM 1861 CA SER A 120 -3.228 -0.927 -7.928 1.00 0.00 C ATOM 1862 C SER A 120 -2.233 -1.271 -9.032 1.00 0.00 C ATOM 1863 O SER A 120 -2.401 -2.280 -9.721 1.00 0.00 O ATOM 1864 CB SER A 120 -2.601 -0.990 -6.525 1.00 0.00 C ATOM 1865 OG SER A 120 -1.615 -1.987 -6.331 1.00 0.00 O ATOM 0 H SER A 120 -4.408 -2.475 -7.194 1.00 0.00 H new ATOM 0 HA SER A 120 -3.553 0.100 -8.095 1.00 0.00 H new ATOM 0 HB2 SER A 120 -2.157 -0.020 -6.303 1.00 0.00 H new ATOM 0 HB3 SER A 120 -3.398 -1.149 -5.799 1.00 0.00 H new ATOM 0 HG SER A 120 -0.941 -1.923 -7.040 1.00 0.00 H new ATOM 1871 N GLN A 121 -1.156 -0.490 -9.145 1.00 0.00 N ATOM 1872 CA GLN A 121 -0.021 -0.899 -9.964 1.00 0.00 C ATOM 1873 C GLN A 121 0.629 -2.170 -9.386 1.00 0.00 C ATOM 1874 O GLN A 121 0.330 -2.554 -8.248 1.00 0.00 O ATOM 1875 CB GLN A 121 0.990 0.255 -10.031 1.00 0.00 C ATOM 1876 CG GLN A 121 1.691 0.581 -8.710 1.00 0.00 C ATOM 1877 CD GLN A 121 1.197 1.851 -8.042 1.00 0.00 C ATOM 1878 OE1 GLN A 121 0.131 1.859 -7.426 1.00 0.00 O ATOM 1879 NE2 GLN A 121 1.981 2.916 -8.116 1.00 0.00 N ATOM 0 H GLN A 121 -1.049 0.415 -8.686 1.00 0.00 H new ATOM 0 HA GLN A 121 -0.362 -1.132 -10.973 1.00 0.00 H new ATOM 0 HB2 GLN A 121 1.747 0.011 -10.776 1.00 0.00 H new ATOM 0 HB3 GLN A 121 0.475 1.149 -10.381 1.00 0.00 H new ATOM 0 HG2 GLN A 121 1.555 -0.254 -8.023 1.00 0.00 H new ATOM 0 HG3 GLN A 121 2.762 0.672 -8.892 1.00 0.00 H new ATOM 0 HE21 GLN A 121 2.857 2.869 -8.636 1.00 0.00 H new ATOM 0 HE22 GLN A 121 1.709 3.783 -7.653 1.00 0.00 H new ATOM 1888 N LYS A 122 1.579 -2.763 -10.110 1.00 0.00 N ATOM 1889 CA LYS A 122 2.582 -3.680 -9.559 1.00 0.00 C ATOM 1890 C LYS A 122 3.771 -2.834 -9.079 1.00 0.00 C ATOM 1891 O LYS A 122 4.160 -1.905 -9.784 1.00 0.00 O ATOM 1892 CB LYS A 122 2.981 -4.666 -10.677 1.00 0.00 C ATOM 1893 CG LYS A 122 4.185 -5.549 -10.307 1.00 0.00 C ATOM 1894 CD LYS A 122 4.556 -6.569 -11.398 1.00 0.00 C ATOM 1895 CE LYS A 122 3.727 -7.852 -11.268 1.00 0.00 C ATOM 1896 NZ LYS A 122 4.067 -8.879 -12.277 1.00 0.00 N ATOM 0 H LYS A 122 1.676 -2.618 -11.115 1.00 0.00 H new ATOM 0 HA LYS A 122 2.208 -4.257 -8.713 1.00 0.00 H new ATOM 0 HB2 LYS A 122 2.129 -5.304 -10.910 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.215 -4.104 -11.581 1.00 0.00 H new ATOM 0 HG2 LYS A 122 5.046 -4.911 -10.109 1.00 0.00 H new ATOM 0 HG3 LYS A 122 3.964 -6.082 -9.382 1.00 0.00 H new ATOM 0 HD2 LYS A 122 4.394 -6.127 -12.381 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.617 -6.810 -11.327 1.00 0.00 H new ATOM 0 HE2 LYS A 122 3.873 -8.270 -10.272 1.00 0.00 H new ATOM 0 HE3 LYS A 122 2.670 -7.603 -11.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 3.471 -9.719 -12.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 3.902 -8.497 -13.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 5.068 -9.144 -12.179 1.00 0.00 H new ATOM 1910 N ILE A 123 4.360 -3.159 -7.927 1.00 0.00 N ATOM 1911 CA ILE A 123 5.600 -2.574 -7.421 1.00 0.00 C ATOM 1912 C ILE A 123 6.469 -3.729 -6.987 1.00 0.00 C ATOM 1913 O ILE A 123 6.255 -4.297 -5.916 1.00 0.00 O ATOM 1914 CB ILE A 123 5.347 -1.529 -6.302 1.00 0.00 C ATOM 1915 CG1 ILE A 123 4.494 -0.325 -6.742 1.00 0.00 C ATOM 1916 CG2 ILE A 123 6.640 -0.959 -5.686 1.00 0.00 C ATOM 1917 CD1 ILE A 123 5.166 0.623 -7.742 1.00 0.00 C ATOM 0 H ILE A 123 3.971 -3.863 -7.299 1.00 0.00 H new ATOM 0 HA ILE A 123 6.109 -1.999 -8.195 1.00 0.00 H new ATOM 0 HB ILE A 123 4.801 -2.113 -5.561 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.570 -0.698 -7.184 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.216 0.246 -5.856 1.00 0.00 H new ATOM 0 HG21 ILE A 123 6.386 -0.235 -4.911 1.00 0.00 H new ATOM 0 HG22 ILE A 123 7.223 -1.770 -5.248 1.00 0.00 H new ATOM 0 HG23 ILE A 123 7.227 -0.468 -6.462 1.00 0.00 H new ATOM 0 HD11 ILE A 123 4.483 1.436 -7.988 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.075 1.033 -7.301 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.419 0.075 -8.650 1.00 0.00 H new ATOM 1929 N ASP A 124 7.389 -4.116 -7.876 1.00 0.00 N ATOM 1930 CA ASP A 124 8.469 -5.052 -7.564 1.00 0.00 C ATOM 1931 C ASP A 124 9.367 -4.451 -6.504 1.00 0.00 C ATOM 1932 O ASP A 124 9.450 -3.229 -6.402 1.00 0.00 O ATOM 1933 CB ASP A 124 9.199 -5.442 -8.848 1.00 0.00 C ATOM 1934 CG ASP A 124 10.265 -6.532 -8.695 1.00 0.00 C ATOM 1935 OD1 ASP A 124 11.292 -6.291 -8.018 1.00 0.00 O ATOM 1936 OD2 ASP A 124 10.086 -7.588 -9.344 1.00 0.00 O ATOM 0 H ASP A 124 7.403 -3.784 -8.840 1.00 0.00 H new ATOM 0 HA ASP A 124 8.075 -5.978 -7.145 1.00 0.00 H new ATOM 0 HB2 ASP A 124 8.462 -5.779 -9.577 1.00 0.00 H new ATOM 0 HB3 ASP A 124 9.672 -4.551 -9.262 1.00 0.00 H new ATOM 1941 N PHE A 125 9.993 -5.276 -5.679 1.00 0.00 N ATOM 1942 CA PHE A 125 10.893 -4.830 -4.626 1.00 0.00 C ATOM 1943 C PHE A 125 11.919 -5.918 -4.342 1.00 0.00 C ATOM 1944 O PHE A 125 11.662 -7.104 -4.554 1.00 0.00 O ATOM 1945 CB PHE A 125 10.083 -4.454 -3.370 1.00 0.00 C ATOM 1946 CG PHE A 125 9.303 -5.583 -2.722 1.00 0.00 C ATOM 1947 CD1 PHE A 125 9.963 -6.437 -1.832 1.00 0.00 C ATOM 1948 CD2 PHE A 125 7.929 -5.773 -2.965 1.00 0.00 C ATOM 1949 CE1 PHE A 125 9.287 -7.486 -1.202 1.00 0.00 C ATOM 1950 CE2 PHE A 125 7.239 -6.818 -2.317 1.00 0.00 C ATOM 1951 CZ PHE A 125 7.921 -7.688 -1.447 1.00 0.00 C ATOM 0 H PHE A 125 9.889 -6.290 -5.723 1.00 0.00 H new ATOM 0 HA PHE A 125 11.432 -3.938 -4.945 1.00 0.00 H new ATOM 0 HB2 PHE A 125 10.768 -4.040 -2.630 1.00 0.00 H new ATOM 0 HB3 PHE A 125 9.384 -3.661 -3.636 1.00 0.00 H new ATOM 0 HD1 PHE A 125 11.012 -6.283 -1.628 1.00 0.00 H new ATOM 0 HD2 PHE A 125 7.405 -5.119 -3.646 1.00 0.00 H new ATOM 0 HE1 PHE A 125 9.817 -8.141 -0.526 1.00 0.00 H new ATOM 0 HE2 PHE A 125 6.181 -6.951 -2.490 1.00 0.00 H new ATOM 0 HZ PHE A 125 7.397 -8.504 -0.972 1.00 0.00 H new ATOM 1961 N GLU A 126 13.068 -5.512 -3.812 1.00 0.00 N ATOM 1962 CA GLU A 126 14.098 -6.455 -3.400 1.00 0.00 C ATOM 1963 C GLU A 126 13.950 -6.776 -1.931 1.00 0.00 C ATOM 1964 O GLU A 126 13.335 -6.022 -1.167 1.00 0.00 O ATOM 1965 CB GLU A 126 15.483 -6.034 -3.904 1.00 0.00 C ATOM 1966 CG GLU A 126 15.874 -6.784 -5.177 1.00 0.00 C ATOM 1967 CD GLU A 126 16.402 -8.203 -4.897 1.00 0.00 C ATOM 1968 OE1 GLU A 126 16.100 -8.813 -3.842 1.00 0.00 O ATOM 1969 OE2 GLU A 126 17.177 -8.705 -5.743 1.00 0.00 O ATOM 0 H GLU A 126 13.308 -4.533 -3.658 1.00 0.00 H new ATOM 0 HA GLU A 126 13.965 -7.420 -3.890 1.00 0.00 H new ATOM 0 HB2 GLU A 126 15.489 -4.961 -4.097 1.00 0.00 H new ATOM 0 HB3 GLU A 126 16.225 -6.222 -3.128 1.00 0.00 H new ATOM 0 HG2 GLU A 126 15.008 -6.847 -5.836 1.00 0.00 H new ATOM 0 HG3 GLU A 126 16.638 -6.216 -5.708 1.00 0.00 H new ATOM 1976 N ARG A 127 14.495 -7.931 -1.554 1.00 0.00 N ATOM 1977 CA ARG A 127 14.455 -8.482 -0.218 1.00 0.00 C ATOM 1978 C ARG A 127 15.893 -8.704 0.212 1.00 0.00 C ATOM 1979 O ARG A 127 16.573 -9.630 -0.230 1.00 0.00 O ATOM 1980 CB ARG A 127 13.622 -9.768 -0.175 1.00 0.00 C ATOM 1981 CG ARG A 127 12.273 -9.717 -0.899 1.00 0.00 C ATOM 1982 CD ARG A 127 11.137 -10.310 -0.072 1.00 0.00 C ATOM 1983 NE ARG A 127 11.442 -11.629 0.505 1.00 0.00 N ATOM 1984 CZ ARG A 127 11.356 -12.810 -0.112 1.00 0.00 C ATOM 1985 NH1 ARG A 127 10.804 -12.903 -1.314 1.00 0.00 N ATOM 1986 NH2 ARG A 127 11.823 -13.904 0.474 1.00 0.00 N ATOM 0 H ARG A 127 14.998 -8.529 -2.209 1.00 0.00 H new ATOM 0 HA ARG A 127 13.966 -7.798 0.476 1.00 0.00 H new ATOM 0 HB2 ARG A 127 14.214 -10.575 -0.607 1.00 0.00 H new ATOM 0 HB3 ARG A 127 13.443 -10.027 0.869 1.00 0.00 H new ATOM 0 HG2 ARG A 127 12.036 -8.682 -1.144 1.00 0.00 H new ATOM 0 HG3 ARG A 127 12.351 -10.258 -1.842 1.00 0.00 H new ATOM 0 HD2 ARG A 127 10.890 -9.620 0.735 1.00 0.00 H new ATOM 0 HD3 ARG A 127 10.250 -10.396 -0.700 1.00 0.00 H new ATOM 0 HE ARG A 127 11.751 -11.642 1.477 1.00 0.00 H new ATOM 0 HH11 ARG A 127 10.441 -12.068 -1.774 1.00 0.00 H new ATOM 0 HH12 ARG A 127 10.742 -13.809 -1.778 1.00 0.00 H new ATOM 0 HH21 ARG A 127 12.249 -13.845 1.399 1.00 0.00 H new ATOM 0 HH22 ARG A 127 11.756 -14.805 0.000 1.00 0.00 H new ATOM 2000 N GLU A 128 16.379 -7.750 0.983 1.00 0.00 N ATOM 2001 CA GLU A 128 17.548 -7.896 1.815 1.00 0.00 C ATOM 2002 C GLU A 128 17.193 -8.932 2.870 1.00 0.00 C ATOM 2003 O GLU A 128 17.933 -9.924 2.990 1.00 0.00 O ATOM 2004 CB GLU A 128 17.874 -6.544 2.442 1.00 0.00 C ATOM 2005 CG GLU A 128 19.096 -6.523 3.364 1.00 0.00 C ATOM 2006 CD GLU A 128 20.280 -5.720 2.784 1.00 0.00 C ATOM 2007 OE1 GLU A 128 20.101 -4.601 2.241 1.00 0.00 O ATOM 2008 OE2 GLU A 128 21.430 -6.209 2.861 1.00 0.00 O ATOM 0 H GLU A 128 15.954 -6.825 1.046 1.00 0.00 H new ATOM 0 HA GLU A 128 18.426 -8.220 1.257 1.00 0.00 H new ATOM 0 HB2 GLU A 128 18.032 -5.821 1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 128 17.006 -6.208 3.010 1.00 0.00 H new ATOM 0 HG2 GLU A 128 18.811 -6.095 4.325 1.00 0.00 H new ATOM 0 HG3 GLU A 128 19.418 -7.547 3.554 1.00 0.00 H new