USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 661 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 61 MET CE :methyl -164:sc= -0.228 (180deg=-0.721) USER MOD Set 2.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 59 TYR OH : rot -7:sc= 1.87 USER MOD Set 3.2: A 63 LYS NZ :NH3+ -158:sc= 1.52 (180deg=0.793) USER MOD Set 4.1: A 53 MET CE :methyl -170:sc=-0.00281 (180deg=-0.158) USER MOD Set 4.2: A 99 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 26 GLN : amide:sc= -0.539! K(o=0.61!,f=-0.59) USER MOD Set 5.2: A 48 THR OG1 : rot -73:sc= 1.15 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.599 K(o=0.6,f=-0.76) USER MOD Single : A 64 GLN : amide:sc= 0.159 X(o=0.16,f=0) USER MOD Single : A 68 GLN : amide:sc= -0.206! X(o=-0.21!,f=-0.0093) USER MOD Single : A 69 GLN : amide:sc= -0.0702 X(o=-0.07,f=-0.17) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 72 HIS : no HD1:sc= -0.018 K(o=-0.018,f=-2.5!) USER MOD Single : A 76 CYS SG : rot 160:sc= -0.577 USER MOD Single : A 88 GLN : amide:sc= 0.57 K(o=0.57,f=-4.8!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.455 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= -0.0311 USER MOD Single : A 101 MET CE :methyl -143:sc= -0.521 (180deg=-0.943) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0.674 K(o=0.67,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ASN A 25 11.062 2.835 6.250 1.00 0.00 N ATOM 38 CA ASN A 25 11.110 1.859 5.156 1.00 0.00 C ATOM 39 C ASN A 25 11.071 2.481 3.746 1.00 0.00 C ATOM 40 O ASN A 25 10.366 2.015 2.854 1.00 0.00 O ATOM 41 CB ASN A 25 10.000 0.820 5.392 1.00 0.00 C ATOM 42 CG ASN A 25 9.983 0.259 6.808 1.00 0.00 C ATOM 43 OD1 ASN A 25 9.061 0.490 7.578 1.00 0.00 O ATOM 44 ND2 ASN A 25 11.011 -0.447 7.222 1.00 0.00 N ATOM 0 HA ASN A 25 12.083 1.368 5.175 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.034 1.278 5.180 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.126 -0.001 4.686 1.00 0.00 H new ATOM 0 HD21 ASN A 25 11.036 -0.798 8.179 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.784 -0.644 6.586 1.00 0.00 H new ATOM 51 N GLN A 26 11.748 3.610 3.574 1.00 0.00 N ATOM 52 CA GLN A 26 11.674 4.532 2.429 1.00 0.00 C ATOM 53 C GLN A 26 13.064 4.916 1.889 1.00 0.00 C ATOM 54 O GLN A 26 14.091 4.414 2.354 1.00 0.00 O ATOM 55 CB GLN A 26 10.838 5.786 2.793 1.00 0.00 C ATOM 56 CG GLN A 26 9.940 5.781 4.047 1.00 0.00 C ATOM 57 CD GLN A 26 8.556 5.139 3.936 1.00 0.00 C ATOM 58 OE1 GLN A 26 7.556 5.733 4.309 1.00 0.00 O ATOM 59 NE2 GLN A 26 8.414 3.918 3.472 1.00 0.00 N ATOM 0 H GLN A 26 12.412 3.935 4.276 1.00 0.00 H new ATOM 0 HA GLN A 26 11.168 4.004 1.620 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.533 6.619 2.896 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.199 6.008 1.938 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.482 5.271 4.844 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.804 6.815 4.365 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.230 3.396 3.153 1.00 0.00 H new ATOM 0 HE22 GLN A 26 7.488 3.492 3.431 1.00 0.00 H new ATOM 68 N VAL A 27 13.086 5.791 0.877 1.00 0.00 N ATOM 69 CA VAL A 27 14.308 6.218 0.166 1.00 0.00 C ATOM 70 C VAL A 27 14.854 7.518 0.778 1.00 0.00 C ATOM 71 O VAL A 27 14.262 8.016 1.731 1.00 0.00 O ATOM 72 CB VAL A 27 14.059 6.302 -1.358 1.00 0.00 C ATOM 73 CG1 VAL A 27 13.498 4.972 -1.880 1.00 0.00 C ATOM 74 CG2 VAL A 27 13.102 7.411 -1.800 1.00 0.00 C ATOM 0 H VAL A 27 12.240 6.234 0.518 1.00 0.00 H new ATOM 0 HA VAL A 27 15.087 5.467 0.296 1.00 0.00 H new ATOM 0 HB VAL A 27 15.038 6.533 -1.778 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.328 5.046 -2.954 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.211 4.173 -1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.556 4.752 -1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.993 7.387 -2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.128 7.259 -1.334 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.502 8.379 -1.497 1.00 0.00 H new ATOM 84 N ARG A 28 16.052 7.967 0.361 1.00 0.00 N ATOM 85 CA ARG A 28 16.847 9.095 0.906 1.00 0.00 C ATOM 86 C ARG A 28 17.908 9.520 -0.145 1.00 0.00 C ATOM 87 O ARG A 28 18.419 8.640 -0.841 1.00 0.00 O ATOM 88 CB ARG A 28 17.492 8.591 2.229 1.00 0.00 C ATOM 89 CG ARG A 28 18.104 9.624 3.186 1.00 0.00 C ATOM 90 CD ARG A 28 19.505 10.142 2.878 1.00 0.00 C ATOM 91 NE ARG A 28 20.550 9.221 3.372 1.00 0.00 N ATOM 92 CZ ARG A 28 21.828 9.190 3.030 1.00 0.00 C ATOM 93 NH1 ARG A 28 22.331 9.954 2.102 1.00 0.00 N ATOM 94 NH2 ARG A 28 22.642 8.368 3.629 1.00 0.00 N ATOM 0 H ARG A 28 16.529 7.522 -0.423 1.00 0.00 H new ATOM 0 HA ARG A 28 16.237 9.974 1.116 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.730 8.039 2.780 1.00 0.00 H new ATOM 0 HB3 ARG A 28 18.274 7.879 1.966 1.00 0.00 H new ATOM 0 HG2 ARG A 28 17.432 10.481 3.226 1.00 0.00 H new ATOM 0 HG3 ARG A 28 18.122 9.186 4.184 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.616 10.274 1.802 1.00 0.00 H new ATOM 0 HD3 ARG A 28 19.639 11.123 3.335 1.00 0.00 H new ATOM 0 HE ARG A 28 20.251 8.527 4.057 1.00 0.00 H new ATOM 0 HH11 ARG A 28 21.732 10.613 1.604 1.00 0.00 H new ATOM 0 HH12 ARG A 28 23.323 9.893 1.874 1.00 0.00 H new ATOM 0 HH21 ARG A 28 22.294 7.749 4.361 1.00 0.00 H new ATOM 0 HH22 ARG A 28 23.627 8.344 3.366 1.00 0.00 H new ATOM 108 N PRO A 29 18.248 10.821 -0.294 1.00 0.00 N ATOM 109 CA PRO A 29 19.073 11.314 -1.407 1.00 0.00 C ATOM 110 C PRO A 29 20.561 11.510 -1.067 1.00 0.00 C ATOM 111 O PRO A 29 20.985 11.406 0.085 1.00 0.00 O ATOM 112 CB PRO A 29 18.446 12.676 -1.731 1.00 0.00 C ATOM 113 CG PRO A 29 18.161 13.215 -0.333 1.00 0.00 C ATOM 114 CD PRO A 29 17.702 11.966 0.432 1.00 0.00 C ATOM 0 HA PRO A 29 19.076 10.591 -2.222 1.00 0.00 H new ATOM 0 HB2 PRO A 29 19.127 13.319 -2.289 1.00 0.00 H new ATOM 0 HB3 PRO A 29 17.539 12.579 -2.327 1.00 0.00 H new ATOM 0 HG2 PRO A 29 19.049 13.660 0.117 1.00 0.00 H new ATOM 0 HG3 PRO A 29 17.390 13.986 -0.347 1.00 0.00 H new ATOM 0 HD2 PRO A 29 18.064 11.984 1.460 1.00 0.00 H new ATOM 0 HD3 PRO A 29 16.614 11.915 0.478 1.00 0.00 H new ATOM 122 N LYS A 30 21.330 11.883 -2.095 1.00 0.00 N ATOM 123 CA LYS A 30 22.713 12.390 -2.022 1.00 0.00 C ATOM 124 C LYS A 30 22.665 13.905 -2.285 1.00 0.00 C ATOM 125 O LYS A 30 21.725 14.368 -2.928 1.00 0.00 O ATOM 126 CB LYS A 30 23.576 11.604 -3.031 1.00 0.00 C ATOM 127 CG LYS A 30 25.085 11.733 -2.772 1.00 0.00 C ATOM 128 CD LYS A 30 25.889 10.965 -3.831 1.00 0.00 C ATOM 129 CE LYS A 30 27.393 11.081 -3.544 1.00 0.00 C ATOM 130 NZ LYS A 30 28.204 10.331 -4.542 1.00 0.00 N ATOM 0 H LYS A 30 20.990 11.839 -3.056 1.00 0.00 H new ATOM 0 HA LYS A 30 23.171 12.243 -1.044 1.00 0.00 H new ATOM 0 HB2 LYS A 30 23.297 10.551 -2.994 1.00 0.00 H new ATOM 0 HB3 LYS A 30 23.356 11.957 -4.039 1.00 0.00 H new ATOM 0 HG2 LYS A 30 25.372 12.785 -2.784 1.00 0.00 H new ATOM 0 HG3 LYS A 30 25.322 11.349 -1.780 1.00 0.00 H new ATOM 0 HD2 LYS A 30 25.592 9.916 -3.833 1.00 0.00 H new ATOM 0 HD3 LYS A 30 25.669 11.361 -4.822 1.00 0.00 H new ATOM 0 HE2 LYS A 30 27.685 12.131 -3.553 1.00 0.00 H new ATOM 0 HE3 LYS A 30 27.603 10.700 -2.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 29.214 10.433 -4.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 27.943 9.325 -4.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 28.023 10.711 -5.493 1.00 0.00 H new ATOM 144 N LEU A 31 23.655 14.685 -1.849 1.00 0.00 N ATOM 145 CA LEU A 31 23.642 16.164 -1.921 1.00 0.00 C ATOM 146 C LEU A 31 23.223 16.778 -3.285 1.00 0.00 C ATOM 147 O LEU A 31 22.364 17.663 -3.276 1.00 0.00 O ATOM 148 CB LEU A 31 25.007 16.719 -1.459 1.00 0.00 C ATOM 149 CG LEU A 31 25.374 16.449 0.015 1.00 0.00 C ATOM 150 CD1 LEU A 31 26.763 17.016 0.307 1.00 0.00 C ATOM 151 CD2 LEU A 31 24.387 17.082 0.999 1.00 0.00 C ATOM 0 H LEU A 31 24.505 14.311 -1.428 1.00 0.00 H new ATOM 0 HA LEU A 31 22.847 16.476 -1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 31 25.785 16.293 -2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 31 25.016 17.796 -1.625 1.00 0.00 H new ATOM 0 HG LEU A 31 25.345 15.368 0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 31 27.022 16.825 1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 31 27.495 16.537 -0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 31 26.763 18.091 0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 31 24.697 16.858 2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 31 24.370 18.162 0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 31 23.390 16.677 0.825 1.00 0.00 H new ATOM 163 N PRO A 32 23.722 16.323 -4.459 1.00 0.00 N ATOM 164 CA PRO A 32 23.288 16.871 -5.753 1.00 0.00 C ATOM 165 C PRO A 32 21.870 16.447 -6.168 1.00 0.00 C ATOM 166 O PRO A 32 21.231 17.136 -6.960 1.00 0.00 O ATOM 167 CB PRO A 32 24.333 16.392 -6.762 1.00 0.00 C ATOM 168 CG PRO A 32 24.845 15.087 -6.161 1.00 0.00 C ATOM 169 CD PRO A 32 24.823 15.386 -4.665 1.00 0.00 C ATOM 0 HA PRO A 32 23.225 17.958 -5.697 1.00 0.00 H new ATOM 0 HB2 PRO A 32 23.895 16.234 -7.748 1.00 0.00 H new ATOM 0 HB3 PRO A 32 25.136 17.119 -6.883 1.00 0.00 H new ATOM 0 HG2 PRO A 32 24.204 14.243 -6.416 1.00 0.00 H new ATOM 0 HG3 PRO A 32 25.848 14.844 -6.512 1.00 0.00 H new ATOM 0 HD2 PRO A 32 24.673 14.474 -4.087 1.00 0.00 H new ATOM 0 HD3 PRO A 32 25.769 15.818 -4.339 1.00 0.00 H new ATOM 177 N LEU A 33 21.353 15.342 -5.620 1.00 0.00 N ATOM 178 CA LEU A 33 19.983 14.865 -5.855 1.00 0.00 C ATOM 179 C LEU A 33 18.967 15.553 -4.925 1.00 0.00 C ATOM 180 O LEU A 33 17.857 15.875 -5.351 1.00 0.00 O ATOM 181 CB LEU A 33 19.946 13.331 -5.722 1.00 0.00 C ATOM 182 CG LEU A 33 20.961 12.557 -6.592 1.00 0.00 C ATOM 183 CD1 LEU A 33 20.765 11.054 -6.399 1.00 0.00 C ATOM 184 CD2 LEU A 33 20.834 12.869 -8.084 1.00 0.00 C ATOM 0 H LEU A 33 21.884 14.742 -4.989 1.00 0.00 H new ATOM 0 HA LEU A 33 19.687 15.133 -6.869 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.119 13.071 -4.678 1.00 0.00 H new ATOM 0 HB3 LEU A 33 18.943 12.987 -5.974 1.00 0.00 H new ATOM 0 HG LEU A 33 21.951 12.875 -6.266 1.00 0.00 H new ATOM 0 HD11 LEU A 33 21.483 10.512 -7.014 1.00 0.00 H new ATOM 0 HD12 LEU A 33 20.920 10.799 -5.351 1.00 0.00 H new ATOM 0 HD13 LEU A 33 19.753 10.778 -6.694 1.00 0.00 H new ATOM 0 HD21 LEU A 33 21.574 12.294 -8.640 1.00 0.00 H new ATOM 0 HD22 LEU A 33 19.835 12.603 -8.428 1.00 0.00 H new ATOM 0 HD23 LEU A 33 21.003 13.933 -8.249 1.00 0.00 H new ATOM 196 N LEU A 34 19.367 15.874 -3.685 1.00 0.00 N ATOM 197 CA LEU A 34 18.554 16.633 -2.720 1.00 0.00 C ATOM 198 C LEU A 34 18.143 17.995 -3.278 1.00 0.00 C ATOM 199 O LEU A 34 16.989 18.386 -3.123 1.00 0.00 O ATOM 200 CB LEU A 34 19.338 16.758 -1.392 1.00 0.00 C ATOM 201 CG LEU A 34 18.699 17.615 -0.262 1.00 0.00 C ATOM 202 CD1 LEU A 34 19.141 17.075 1.099 1.00 0.00 C ATOM 203 CD2 LEU A 34 19.140 19.081 -0.319 1.00 0.00 C ATOM 0 H LEU A 34 20.281 15.609 -3.317 1.00 0.00 H new ATOM 0 HA LEU A 34 17.625 16.096 -2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 34 19.502 15.754 -1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 34 20.319 17.176 -1.618 1.00 0.00 H new ATOM 0 HG LEU A 34 17.619 17.557 -0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.694 17.675 1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.818 16.039 1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.227 17.125 1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.666 19.635 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 34 20.223 19.139 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.845 19.513 -1.275 1.00 0.00 H new ATOM 215 N LYS A 35 19.049 18.706 -3.962 1.00 0.00 N ATOM 216 CA LYS A 35 18.770 20.075 -4.442 1.00 0.00 C ATOM 217 C LYS A 35 17.794 20.142 -5.622 1.00 0.00 C ATOM 218 O LYS A 35 17.097 21.139 -5.786 1.00 0.00 O ATOM 219 CB LYS A 35 20.041 20.887 -4.597 1.00 0.00 C ATOM 220 CG LYS A 35 21.007 20.437 -5.690 1.00 0.00 C ATOM 221 CD LYS A 35 22.302 21.170 -5.348 1.00 0.00 C ATOM 222 CE LYS A 35 23.415 21.028 -6.399 1.00 0.00 C ATOM 223 NZ LYS A 35 23.170 21.870 -7.606 1.00 0.00 N ATOM 0 H LYS A 35 19.980 18.361 -4.197 1.00 0.00 H new ATOM 0 HA LYS A 35 18.208 20.576 -3.654 1.00 0.00 H new ATOM 0 HB2 LYS A 35 19.763 21.923 -4.793 1.00 0.00 H new ATOM 0 HB3 LYS A 35 20.572 20.874 -3.645 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.144 19.356 -5.683 1.00 0.00 H new ATOM 0 HG3 LYS A 35 20.644 20.706 -6.682 1.00 0.00 H new ATOM 0 HD2 LYS A 35 22.080 22.229 -5.214 1.00 0.00 H new ATOM 0 HD3 LYS A 35 22.673 20.798 -4.393 1.00 0.00 H new ATOM 0 HE2 LYS A 35 24.370 21.307 -5.953 1.00 0.00 H new ATOM 0 HE3 LYS A 35 23.496 19.983 -6.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 23.948 21.739 -8.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 22.273 21.588 -8.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.119 22.871 -7.327 1.00 0.00 H new ATOM 237 N ILE A 36 17.654 19.042 -6.365 1.00 0.00 N ATOM 238 CA ILE A 36 16.638 18.866 -7.419 1.00 0.00 C ATOM 239 C ILE A 36 15.242 18.756 -6.792 1.00 0.00 C ATOM 240 O ILE A 36 14.333 19.475 -7.197 1.00 0.00 O ATOM 241 CB ILE A 36 16.995 17.654 -8.311 1.00 0.00 C ATOM 242 CG1 ILE A 36 18.386 17.892 -8.942 1.00 0.00 C ATOM 243 CG2 ILE A 36 15.939 17.441 -9.414 1.00 0.00 C ATOM 244 CD1 ILE A 36 18.970 16.672 -9.655 1.00 0.00 C ATOM 0 H ILE A 36 18.256 18.226 -6.252 1.00 0.00 H new ATOM 0 HA ILE A 36 16.626 19.741 -8.069 1.00 0.00 H new ATOM 0 HB ILE A 36 17.013 16.754 -7.696 1.00 0.00 H new ATOM 0 HG12 ILE A 36 18.313 18.714 -9.654 1.00 0.00 H new ATOM 0 HG13 ILE A 36 19.077 18.207 -8.161 1.00 0.00 H new ATOM 0 HG21 ILE A 36 16.218 16.582 -10.024 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.966 17.260 -8.956 1.00 0.00 H new ATOM 0 HG23 ILE A 36 15.885 18.330 -10.042 1.00 0.00 H new ATOM 0 HD11 ILE A 36 19.946 16.925 -10.069 1.00 0.00 H new ATOM 0 HD12 ILE A 36 19.078 15.853 -8.944 1.00 0.00 H new ATOM 0 HD13 ILE A 36 18.302 16.367 -10.461 1.00 0.00 H new ATOM 256 N LEU A 37 15.080 17.955 -5.730 1.00 0.00 N ATOM 257 CA LEU A 37 13.842 17.956 -4.937 1.00 0.00 C ATOM 258 C LEU A 37 13.618 19.321 -4.252 1.00 0.00 C ATOM 259 O LEU A 37 12.493 19.816 -4.198 1.00 0.00 O ATOM 260 CB LEU A 37 13.866 16.783 -3.926 1.00 0.00 C ATOM 261 CG LEU A 37 13.194 15.472 -4.378 1.00 0.00 C ATOM 262 CD1 LEU A 37 11.679 15.618 -4.465 1.00 0.00 C ATOM 263 CD2 LEU A 37 13.684 14.914 -5.711 1.00 0.00 C ATOM 0 H LEU A 37 15.789 17.299 -5.400 1.00 0.00 H new ATOM 0 HA LEU A 37 12.992 17.805 -5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.905 16.566 -3.680 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.383 17.115 -3.007 1.00 0.00 H new ATOM 0 HG LEU A 37 13.482 14.764 -3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.240 14.673 -4.787 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.283 15.887 -3.486 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.429 16.398 -5.185 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.149 13.992 -5.938 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.501 15.643 -6.500 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.753 14.708 -5.648 1.00 0.00 H new ATOM 275 N HIS A 38 14.681 19.982 -3.781 1.00 0.00 N ATOM 276 CA HIS A 38 14.593 21.274 -3.086 1.00 0.00 C ATOM 277 C HIS A 38 14.170 22.432 -4.001 1.00 0.00 C ATOM 278 O HIS A 38 13.453 23.329 -3.556 1.00 0.00 O ATOM 279 CB HIS A 38 15.918 21.573 -2.367 1.00 0.00 C ATOM 280 CG HIS A 38 15.707 22.277 -1.054 1.00 0.00 C ATOM 281 ND1 HIS A 38 16.170 23.548 -0.701 1.00 0.00 N ATOM 282 CD2 HIS A 38 15.011 21.747 -0.009 1.00 0.00 C ATOM 283 CE1 HIS A 38 15.733 23.756 0.555 1.00 0.00 C ATOM 284 NE2 HIS A 38 15.034 22.692 0.993 1.00 0.00 N ATOM 0 H HIS A 38 15.635 19.634 -3.871 1.00 0.00 H new ATOM 0 HA HIS A 38 13.797 21.188 -2.346 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.454 20.640 -2.195 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.547 22.188 -3.010 1.00 0.00 H new ATOM 0 HD2 HIS A 38 14.536 20.778 0.027 1.00 0.00 H new ATOM 0 HE1 HIS A 38 15.917 24.651 1.131 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.596 22.601 1.910 1.00 0.00 H new ATOM 292 N ALA A 39 14.498 22.365 -5.298 1.00 0.00 N ATOM 293 CA ALA A 39 13.981 23.284 -6.317 1.00 0.00 C ATOM 294 C ALA A 39 12.438 23.255 -6.430 1.00 0.00 C ATOM 295 O ALA A 39 11.830 24.232 -6.873 1.00 0.00 O ATOM 296 CB ALA A 39 14.627 22.946 -7.668 1.00 0.00 C ATOM 0 H ALA A 39 15.137 21.663 -5.672 1.00 0.00 H new ATOM 0 HA ALA A 39 14.243 24.298 -6.015 1.00 0.00 H new ATOM 0 HB1 ALA A 39 14.248 23.625 -8.432 1.00 0.00 H new ATOM 0 HB2 ALA A 39 15.709 23.054 -7.591 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.383 21.919 -7.941 1.00 0.00 H new ATOM 302 N ALA A 40 11.808 22.158 -5.987 1.00 0.00 N ATOM 303 CA ALA A 40 10.360 21.980 -5.881 1.00 0.00 C ATOM 304 C ALA A 40 9.826 22.108 -4.435 1.00 0.00 C ATOM 305 O ALA A 40 8.757 21.580 -4.122 1.00 0.00 O ATOM 306 CB ALA A 40 10.002 20.649 -6.547 1.00 0.00 C ATOM 0 H ALA A 40 12.323 21.333 -5.679 1.00 0.00 H new ATOM 0 HA ALA A 40 9.857 22.794 -6.404 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.926 20.488 -6.483 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.304 20.673 -7.594 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.521 19.836 -6.038 1.00 0.00 H new ATOM 312 N GLY A 41 10.559 22.780 -3.537 1.00 0.00 N ATOM 313 CA GLY A 41 10.108 23.098 -2.173 1.00 0.00 C ATOM 314 C GLY A 41 10.067 21.909 -1.199 1.00 0.00 C ATOM 315 O GLY A 41 9.390 21.985 -0.170 1.00 0.00 O ATOM 0 H GLY A 41 11.497 23.124 -3.740 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.766 23.862 -1.760 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.110 23.534 -2.230 1.00 0.00 H new ATOM 319 N ALA A 42 10.755 20.810 -1.525 1.00 0.00 N ATOM 320 CA ALA A 42 10.795 19.581 -0.731 1.00 0.00 C ATOM 321 C ALA A 42 11.791 19.659 0.458 1.00 0.00 C ATOM 322 O ALA A 42 12.165 20.739 0.918 1.00 0.00 O ATOM 323 CB ALA A 42 11.191 18.461 -1.699 1.00 0.00 C ATOM 0 H ALA A 42 11.316 20.751 -2.375 1.00 0.00 H new ATOM 0 HA ALA A 42 9.821 19.404 -0.275 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.237 17.514 -1.161 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.450 18.390 -2.495 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.167 18.681 -2.130 1.00 0.00 H new ATOM 329 N GLN A 43 12.265 18.494 0.923 1.00 0.00 N ATOM 330 CA GLN A 43 13.373 18.322 1.880 1.00 0.00 C ATOM 331 C GLN A 43 14.129 17.011 1.599 1.00 0.00 C ATOM 332 O GLN A 43 14.084 16.042 2.358 1.00 0.00 O ATOM 333 CB GLN A 43 12.868 18.470 3.332 1.00 0.00 C ATOM 334 CG GLN A 43 11.632 17.621 3.701 1.00 0.00 C ATOM 335 CD GLN A 43 11.196 17.776 5.161 1.00 0.00 C ATOM 336 OE1 GLN A 43 11.790 18.479 5.972 1.00 0.00 O ATOM 337 NE2 GLN A 43 10.128 17.118 5.565 1.00 0.00 N ATOM 0 H GLN A 43 11.868 17.601 0.629 1.00 0.00 H new ATOM 0 HA GLN A 43 14.105 19.118 1.745 1.00 0.00 H new ATOM 0 HB2 GLN A 43 13.681 18.207 4.009 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.632 19.519 3.510 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.803 17.900 3.051 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.851 16.571 3.505 1.00 0.00 H new ATOM 0 HE21 GLN A 43 9.616 16.526 4.911 1.00 0.00 H new ATOM 0 HE22 GLN A 43 9.814 17.200 6.532 1.00 0.00 H new ATOM 346 N GLY A 44 14.804 16.978 0.445 1.00 0.00 N ATOM 347 CA GLY A 44 15.461 15.783 -0.078 1.00 0.00 C ATOM 348 C GLY A 44 14.472 14.762 -0.637 1.00 0.00 C ATOM 349 O GLY A 44 13.449 15.140 -1.185 1.00 0.00 O ATOM 0 H GLY A 44 14.909 17.794 -0.158 1.00 0.00 H new ATOM 0 HA2 GLY A 44 16.160 16.072 -0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 44 16.046 15.319 0.716 1.00 0.00 H new ATOM 353 N GLU A 45 14.796 13.475 -0.500 1.00 0.00 N ATOM 354 CA GLU A 45 13.977 12.309 -0.888 1.00 0.00 C ATOM 355 C GLU A 45 13.700 11.378 0.305 1.00 0.00 C ATOM 356 O GLU A 45 13.339 10.225 0.110 1.00 0.00 O ATOM 357 CB GLU A 45 14.649 11.530 -2.039 1.00 0.00 C ATOM 358 CG GLU A 45 14.735 12.296 -3.359 1.00 0.00 C ATOM 359 CD GLU A 45 15.420 11.429 -4.434 1.00 0.00 C ATOM 360 OE1 GLU A 45 14.744 10.553 -5.026 1.00 0.00 O ATOM 361 OE2 GLU A 45 16.636 11.611 -4.683 1.00 0.00 O ATOM 0 H GLU A 45 15.688 13.195 -0.092 1.00 0.00 H new ATOM 0 HA GLU A 45 13.016 12.689 -1.235 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.656 11.249 -1.731 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.097 10.605 -2.206 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.735 12.577 -3.691 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.295 13.220 -3.216 1.00 0.00 H new ATOM 368 N MET A 46 13.921 11.840 1.543 1.00 0.00 N ATOM 369 CA MET A 46 13.930 11.013 2.761 1.00 0.00 C ATOM 370 C MET A 46 12.525 10.677 3.291 1.00 0.00 C ATOM 371 O MET A 46 12.132 11.050 4.398 1.00 0.00 O ATOM 372 CB MET A 46 14.928 11.610 3.746 1.00 0.00 C ATOM 373 CG MET A 46 15.186 10.739 4.984 1.00 0.00 C ATOM 374 SD MET A 46 16.536 11.343 6.035 1.00 0.00 S ATOM 375 CE MET A 46 16.541 10.037 7.295 1.00 0.00 C ATOM 0 H MET A 46 14.104 12.826 1.732 1.00 0.00 H new ATOM 0 HA MET A 46 14.291 10.009 2.538 1.00 0.00 H new ATOM 0 HB2 MET A 46 15.874 11.779 3.231 1.00 0.00 H new ATOM 0 HB3 MET A 46 14.563 12.584 4.070 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.273 10.686 5.576 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.416 9.724 4.661 1.00 0.00 H new ATOM 0 HE1 MET A 46 17.317 10.245 8.032 1.00 0.00 H new ATOM 0 HE2 MET A 46 15.570 10.005 7.789 1.00 0.00 H new ATOM 0 HE3 MET A 46 16.739 9.075 6.822 1.00 0.00 H new ATOM 385 N PHE A 47 11.750 10.016 2.429 1.00 0.00 N ATOM 386 CA PHE A 47 10.309 9.755 2.576 1.00 0.00 C ATOM 387 C PHE A 47 9.745 8.765 1.527 1.00 0.00 C ATOM 388 O PHE A 47 10.464 8.256 0.667 1.00 0.00 O ATOM 389 CB PHE A 47 9.564 11.104 2.555 1.00 0.00 C ATOM 390 CG PHE A 47 10.052 12.107 1.526 1.00 0.00 C ATOM 391 CD1 PHE A 47 9.939 11.811 0.157 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.633 13.325 1.933 1.00 0.00 C ATOM 393 CE1 PHE A 47 10.312 12.769 -0.795 1.00 0.00 C ATOM 394 CE2 PHE A 47 11.048 14.263 0.972 1.00 0.00 C ATOM 395 CZ PHE A 47 10.847 13.997 -0.389 1.00 0.00 C ATOM 0 H PHE A 47 12.126 9.627 1.564 1.00 0.00 H new ATOM 0 HA PHE A 47 10.150 9.255 3.532 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.506 10.912 2.375 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.642 11.557 3.543 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.566 10.848 -0.160 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.759 13.538 2.984 1.00 0.00 H new ATOM 0 HE1 PHE A 47 10.186 12.559 -1.847 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.519 15.184 1.281 1.00 0.00 H new ATOM 0 HZ PHE A 47 11.106 14.742 -1.127 1.00 0.00 H new ATOM 405 N THR A 48 8.447 8.452 1.639 1.00 0.00 N ATOM 406 CA THR A 48 7.698 7.421 0.881 1.00 0.00 C ATOM 407 C THR A 48 7.558 7.715 -0.625 1.00 0.00 C ATOM 408 O THR A 48 7.696 8.852 -1.078 1.00 0.00 O ATOM 409 CB THR A 48 6.278 7.251 1.488 1.00 0.00 C ATOM 410 OG1 THR A 48 6.207 7.682 2.831 1.00 0.00 O ATOM 411 CG2 THR A 48 5.744 5.814 1.448 1.00 0.00 C ATOM 0 H THR A 48 7.846 8.940 2.303 1.00 0.00 H new ATOM 0 HA THR A 48 8.286 6.507 0.970 1.00 0.00 H new ATOM 0 HB THR A 48 5.659 7.878 0.847 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.665 7.035 3.407 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.748 5.783 1.891 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.692 5.474 0.414 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.412 5.162 2.011 1.00 0.00 H new ATOM 419 N VAL A 49 7.160 6.691 -1.397 1.00 0.00 N ATOM 420 CA VAL A 49 6.862 6.759 -2.850 1.00 0.00 C ATOM 421 C VAL A 49 5.867 7.881 -3.177 1.00 0.00 C ATOM 422 O VAL A 49 6.106 8.712 -4.055 1.00 0.00 O ATOM 423 CB VAL A 49 6.320 5.395 -3.349 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.843 5.437 -4.806 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.387 4.305 -3.197 1.00 0.00 C ATOM 0 H VAL A 49 7.030 5.753 -1.018 1.00 0.00 H new ATOM 0 HA VAL A 49 7.793 6.986 -3.368 1.00 0.00 H new ATOM 0 HB VAL A 49 5.455 5.164 -2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.475 4.453 -5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.041 6.168 -4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.674 5.720 -5.453 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.989 3.354 -3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.266 4.572 -3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.665 4.212 -2.147 1.00 0.00 H new ATOM 435 N LYS A 50 4.779 7.956 -2.401 1.00 0.00 N ATOM 436 CA LYS A 50 3.746 8.992 -2.550 1.00 0.00 C ATOM 437 C LYS A 50 4.257 10.415 -2.311 1.00 0.00 C ATOM 438 O LYS A 50 3.761 11.351 -2.931 1.00 0.00 O ATOM 439 CB LYS A 50 2.508 8.656 -1.695 1.00 0.00 C ATOM 440 CG LYS A 50 2.809 8.588 -0.187 1.00 0.00 C ATOM 441 CD LYS A 50 1.557 8.288 0.645 1.00 0.00 C ATOM 442 CE LYS A 50 1.949 8.199 2.127 1.00 0.00 C ATOM 443 NZ LYS A 50 0.768 7.934 2.994 1.00 0.00 N ATOM 0 H LYS A 50 4.588 7.296 -1.647 1.00 0.00 H new ATOM 0 HA LYS A 50 3.445 8.983 -3.598 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.739 9.408 -1.871 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.099 7.699 -2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.558 7.817 -0.003 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.240 9.535 0.138 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.812 9.070 0.499 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.104 7.352 0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.685 7.406 2.262 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.424 9.131 2.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.072 7.881 3.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.077 8.703 2.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.329 7.033 2.717 1.00 0.00 H new ATOM 457 N GLU A 51 5.267 10.574 -1.456 1.00 0.00 N ATOM 458 CA GLU A 51 5.893 11.869 -1.189 1.00 0.00 C ATOM 459 C GLU A 51 6.873 12.250 -2.309 1.00 0.00 C ATOM 460 O GLU A 51 6.736 13.343 -2.856 1.00 0.00 O ATOM 461 CB GLU A 51 6.553 11.867 0.200 1.00 0.00 C ATOM 462 CG GLU A 51 5.576 11.635 1.362 1.00 0.00 C ATOM 463 CD GLU A 51 4.498 12.734 1.454 1.00 0.00 C ATOM 464 OE1 GLU A 51 4.776 13.815 2.028 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.360 12.519 0.972 1.00 0.00 O ATOM 0 H GLU A 51 5.676 9.804 -0.926 1.00 0.00 H new ATOM 0 HA GLU A 51 5.122 12.639 -1.179 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.319 11.092 0.224 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.059 12.821 0.351 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.093 10.666 1.238 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.132 11.597 2.298 1.00 0.00 H new ATOM 472 N VAL A 52 7.781 11.360 -2.754 1.00 0.00 N ATOM 473 CA VAL A 52 8.654 11.674 -3.918 1.00 0.00 C ATOM 474 C VAL A 52 7.853 12.052 -5.159 1.00 0.00 C ATOM 475 O VAL A 52 8.160 13.047 -5.812 1.00 0.00 O ATOM 476 CB VAL A 52 9.639 10.563 -4.308 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.742 10.336 -3.270 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.070 9.185 -4.616 1.00 0.00 C ATOM 0 H VAL A 52 7.933 10.439 -2.343 1.00 0.00 H new ATOM 0 HA VAL A 52 9.236 12.525 -3.564 1.00 0.00 H new ATOM 0 HB VAL A 52 10.016 10.984 -5.240 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.402 9.538 -3.609 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.317 11.253 -3.144 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.293 10.055 -2.317 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.882 8.506 -4.875 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.544 8.805 -3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.376 9.257 -5.453 1.00 0.00 H new ATOM 488 N MET A 53 6.805 11.291 -5.468 1.00 0.00 N ATOM 489 CA MET A 53 5.988 11.541 -6.665 1.00 0.00 C ATOM 490 C MET A 53 5.135 12.824 -6.560 1.00 0.00 C ATOM 491 O MET A 53 4.855 13.456 -7.577 1.00 0.00 O ATOM 492 CB MET A 53 5.172 10.299 -7.043 1.00 0.00 C ATOM 493 CG MET A 53 3.906 10.107 -6.207 1.00 0.00 C ATOM 494 SD MET A 53 3.040 8.541 -6.501 1.00 0.00 S ATOM 495 CE MET A 53 2.553 8.764 -8.235 1.00 0.00 C ATOM 0 H MET A 53 6.497 10.495 -4.909 1.00 0.00 H new ATOM 0 HA MET A 53 6.674 11.734 -7.489 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.894 10.366 -8.095 1.00 0.00 H new ATOM 0 HB3 MET A 53 5.803 9.416 -6.936 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.170 10.169 -5.151 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.222 10.930 -6.413 1.00 0.00 H new ATOM 0 HE1 MET A 53 1.860 7.973 -8.523 1.00 0.00 H new ATOM 0 HE2 MET A 53 2.068 9.733 -8.355 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.438 8.720 -8.870 1.00 0.00 H new ATOM 505 N HIS A 54 4.786 13.250 -5.340 1.00 0.00 N ATOM 506 CA HIS A 54 4.142 14.539 -5.045 1.00 0.00 C ATOM 507 C HIS A 54 5.077 15.712 -5.394 1.00 0.00 C ATOM 508 O HIS A 54 4.766 16.513 -6.282 1.00 0.00 O ATOM 509 CB HIS A 54 3.695 14.537 -3.567 1.00 0.00 C ATOM 510 CG HIS A 54 3.710 15.887 -2.901 1.00 0.00 C ATOM 511 ND1 HIS A 54 2.971 17.003 -3.299 1.00 0.00 N ATOM 512 CD2 HIS A 54 4.565 16.248 -1.900 1.00 0.00 C ATOM 513 CE1 HIS A 54 3.408 18.013 -2.528 1.00 0.00 C ATOM 514 NE2 HIS A 54 4.353 17.587 -1.672 1.00 0.00 N ATOM 0 H HIS A 54 4.949 12.690 -4.503 1.00 0.00 H new ATOM 0 HA HIS A 54 3.257 14.675 -5.666 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.686 14.130 -3.508 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.344 13.864 -3.007 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.269 15.608 -1.388 1.00 0.00 H new ATOM 0 HE1 HIS A 54 3.049 19.030 -2.588 1.00 0.00 H new ATOM 0 HE2 HIS A 54 4.830 18.158 -0.974 1.00 0.00 H new ATOM 522 N TYR A 55 6.260 15.769 -4.770 1.00 0.00 N ATOM 523 CA TYR A 55 7.304 16.745 -5.091 1.00 0.00 C ATOM 524 C TYR A 55 7.731 16.712 -6.571 1.00 0.00 C ATOM 525 O TYR A 55 7.969 17.766 -7.156 1.00 0.00 O ATOM 526 CB TYR A 55 8.521 16.516 -4.192 1.00 0.00 C ATOM 527 CG TYR A 55 8.256 16.660 -2.706 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.868 17.903 -2.174 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.416 15.556 -1.852 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.601 18.038 -0.799 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.144 15.682 -0.474 1.00 0.00 C ATOM 532 CZ TYR A 55 7.737 16.925 0.057 1.00 0.00 C ATOM 533 OH TYR A 55 7.489 17.066 1.389 1.00 0.00 O ATOM 0 H TYR A 55 6.520 15.130 -4.019 1.00 0.00 H new ATOM 0 HA TYR A 55 6.880 17.733 -4.909 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.910 15.516 -4.381 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.302 17.221 -4.477 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.774 18.759 -2.825 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.748 14.609 -2.252 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.292 18.993 -0.399 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.247 14.826 0.176 1.00 0.00 H new ATOM 0 HH TYR A 55 7.626 16.207 1.840 1.00 0.00 H new ATOM 543 N LEU A 56 7.776 15.534 -7.206 1.00 0.00 N ATOM 544 CA LEU A 56 8.066 15.382 -8.638 1.00 0.00 C ATOM 545 C LEU A 56 6.979 16.013 -9.525 1.00 0.00 C ATOM 546 O LEU A 56 7.310 16.749 -10.453 1.00 0.00 O ATOM 547 CB LEU A 56 8.260 13.884 -8.934 1.00 0.00 C ATOM 548 CG LEU A 56 8.527 13.515 -10.403 1.00 0.00 C ATOM 549 CD1 LEU A 56 9.755 14.221 -10.972 1.00 0.00 C ATOM 550 CD2 LEU A 56 8.761 12.006 -10.507 1.00 0.00 C ATOM 0 H LEU A 56 7.609 14.646 -6.732 1.00 0.00 H new ATOM 0 HA LEU A 56 8.981 15.923 -8.880 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.092 13.520 -8.332 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.369 13.350 -8.602 1.00 0.00 H new ATOM 0 HG LEU A 56 7.655 13.830 -10.976 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.896 13.924 -12.011 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.611 15.300 -10.919 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.635 13.943 -10.392 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.951 11.738 -11.546 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.621 11.728 -9.898 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.878 11.475 -10.151 1.00 0.00 H new ATOM 562 N GLY A 57 5.695 15.797 -9.223 1.00 0.00 N ATOM 563 CA GLY A 57 4.587 16.434 -9.945 1.00 0.00 C ATOM 564 C GLY A 57 4.673 17.965 -9.907 1.00 0.00 C ATOM 565 O GLY A 57 4.650 18.620 -10.953 1.00 0.00 O ATOM 0 H GLY A 57 5.394 15.176 -8.472 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.590 16.098 -10.982 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.640 16.114 -9.509 1.00 0.00 H new ATOM 569 N GLN A 58 4.909 18.548 -8.723 1.00 0.00 N ATOM 570 CA GLN A 58 5.092 20.000 -8.597 1.00 0.00 C ATOM 571 C GLN A 58 6.423 20.496 -9.197 1.00 0.00 C ATOM 572 O GLN A 58 6.442 21.591 -9.754 1.00 0.00 O ATOM 573 CB GLN A 58 4.751 20.508 -7.184 1.00 0.00 C ATOM 574 CG GLN A 58 5.798 20.231 -6.097 1.00 0.00 C ATOM 575 CD GLN A 58 5.294 20.491 -4.670 1.00 0.00 C ATOM 576 OE1 GLN A 58 4.109 20.634 -4.395 1.00 0.00 O ATOM 577 NE2 GLN A 58 6.172 20.547 -3.689 1.00 0.00 N ATOM 0 H GLN A 58 4.977 18.038 -7.842 1.00 0.00 H new ATOM 0 HA GLN A 58 4.350 20.483 -9.232 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.587 21.584 -7.236 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.808 20.057 -6.875 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.122 19.193 -6.174 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.674 20.853 -6.282 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.166 20.432 -3.887 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.858 20.706 -2.732 1.00 0.00 H new ATOM 586 N TYR A 59 7.510 19.705 -9.180 1.00 0.00 N ATOM 587 CA TYR A 59 8.740 20.023 -9.929 1.00 0.00 C ATOM 588 C TYR A 59 8.428 20.216 -11.414 1.00 0.00 C ATOM 589 O TYR A 59 8.704 21.281 -11.958 1.00 0.00 O ATOM 590 CB TYR A 59 9.817 18.929 -9.765 1.00 0.00 C ATOM 591 CG TYR A 59 11.151 19.250 -10.433 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.326 19.058 -11.821 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.233 19.715 -9.661 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.573 19.316 -12.429 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.475 19.979 -10.266 1.00 0.00 C ATOM 596 CZ TYR A 59 13.656 19.762 -11.644 1.00 0.00 C ATOM 597 OH TYR A 59 14.879 19.985 -12.193 1.00 0.00 O ATOM 0 H TYR A 59 7.562 18.834 -8.652 1.00 0.00 H new ATOM 0 HA TYR A 59 9.136 20.950 -9.515 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.988 18.762 -8.702 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.434 17.995 -10.177 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.499 18.711 -12.422 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.109 19.870 -8.599 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.697 19.172 -13.492 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.295 20.351 -9.669 1.00 0.00 H new ATOM 0 HH TYR A 59 14.881 19.677 -13.123 1.00 0.00 H new ATOM 607 N ILE A 60 7.785 19.232 -12.056 1.00 0.00 N ATOM 608 CA ILE A 60 7.410 19.290 -13.480 1.00 0.00 C ATOM 609 C ILE A 60 6.508 20.504 -13.740 1.00 0.00 C ATOM 610 O ILE A 60 6.717 21.233 -14.708 1.00 0.00 O ATOM 611 CB ILE A 60 6.705 17.978 -13.897 1.00 0.00 C ATOM 612 CG1 ILE A 60 7.608 16.734 -13.725 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.229 18.049 -15.360 1.00 0.00 C ATOM 614 CD1 ILE A 60 6.769 15.469 -13.503 1.00 0.00 C ATOM 0 H ILE A 60 7.507 18.364 -11.599 1.00 0.00 H new ATOM 0 HA ILE A 60 8.312 19.400 -14.082 1.00 0.00 H new ATOM 0 HB ILE A 60 5.849 17.872 -13.230 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.233 16.609 -14.609 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.279 16.882 -12.879 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.737 17.114 -15.628 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.527 18.875 -15.474 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.086 18.208 -16.014 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.430 14.610 -13.385 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.164 15.587 -12.604 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.117 15.310 -14.362 1.00 0.00 H new ATOM 626 N MET A 61 5.549 20.770 -12.849 1.00 0.00 N ATOM 627 CA MET A 61 4.632 21.907 -12.963 1.00 0.00 C ATOM 628 C MET A 61 5.338 23.278 -12.846 1.00 0.00 C ATOM 629 O MET A 61 4.954 24.215 -13.547 1.00 0.00 O ATOM 630 CB MET A 61 3.523 21.735 -11.913 1.00 0.00 C ATOM 631 CG MET A 61 2.270 22.585 -12.174 1.00 0.00 C ATOM 632 SD MET A 61 0.918 21.779 -13.092 1.00 0.00 S ATOM 633 CE MET A 61 1.585 21.647 -14.770 1.00 0.00 C ATOM 0 H MET A 61 5.386 20.197 -12.021 1.00 0.00 H new ATOM 0 HA MET A 61 4.200 21.909 -13.964 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.234 20.685 -11.875 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.924 21.991 -10.932 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.878 22.919 -11.213 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.571 23.477 -12.723 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.774 21.443 -15.469 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.072 22.583 -15.043 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.311 20.835 -14.810 1.00 0.00 H new ATOM 643 N VAL A 62 6.388 23.408 -12.020 1.00 0.00 N ATOM 644 CA VAL A 62 7.190 24.643 -11.880 1.00 0.00 C ATOM 645 C VAL A 62 8.175 24.797 -13.041 1.00 0.00 C ATOM 646 O VAL A 62 8.192 25.839 -13.704 1.00 0.00 O ATOM 647 CB VAL A 62 7.888 24.693 -10.509 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.921 25.821 -10.385 1.00 0.00 C ATOM 649 CG2 VAL A 62 6.861 24.890 -9.386 1.00 0.00 C ATOM 0 H VAL A 62 6.712 22.649 -11.420 1.00 0.00 H new ATOM 0 HA VAL A 62 6.515 25.497 -11.925 1.00 0.00 H new ATOM 0 HB VAL A 62 8.405 23.738 -10.419 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.372 25.794 -9.393 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.696 25.689 -11.140 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.430 26.782 -10.534 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.374 24.923 -8.425 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.325 25.826 -9.543 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.153 24.061 -9.391 1.00 0.00 H new ATOM 659 N LYS A 63 8.952 23.742 -13.336 1.00 0.00 N ATOM 660 CA LYS A 63 9.915 23.714 -14.455 1.00 0.00 C ATOM 661 C LYS A 63 9.228 23.750 -15.828 1.00 0.00 C ATOM 662 O LYS A 63 9.868 24.105 -16.814 1.00 0.00 O ATOM 663 CB LYS A 63 10.802 22.448 -14.333 1.00 0.00 C ATOM 664 CG LYS A 63 12.304 22.760 -14.306 1.00 0.00 C ATOM 665 CD LYS A 63 12.715 23.319 -12.934 1.00 0.00 C ATOM 666 CE LYS A 63 14.171 23.819 -12.914 1.00 0.00 C ATOM 667 NZ LYS A 63 15.175 22.731 -13.093 1.00 0.00 N ATOM 0 H LYS A 63 8.931 22.874 -12.800 1.00 0.00 H new ATOM 0 HA LYS A 63 10.528 24.613 -14.388 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.533 21.911 -13.424 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.591 21.783 -15.170 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.873 21.856 -14.522 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.545 23.482 -15.086 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.049 24.139 -12.665 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.590 22.545 -12.177 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.304 24.559 -13.703 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.360 24.325 -11.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.092 23.038 -12.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.857 21.879 -12.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.277 22.516 -14.105 1.00 0.00 H new ATOM 681 N GLN A 64 7.921 23.465 -15.865 1.00 0.00 N ATOM 682 CA GLN A 64 7.006 23.502 -17.013 1.00 0.00 C ATOM 683 C GLN A 64 7.551 22.831 -18.286 1.00 0.00 C ATOM 684 O GLN A 64 7.352 23.302 -19.407 1.00 0.00 O ATOM 685 CB GLN A 64 6.355 24.889 -17.162 1.00 0.00 C ATOM 686 CG GLN A 64 7.324 26.034 -17.484 1.00 0.00 C ATOM 687 CD GLN A 64 6.729 27.388 -17.109 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.190 28.120 -17.930 1.00 0.00 O ATOM 689 NE2 GLN A 64 6.795 27.763 -15.845 1.00 0.00 N ATOM 0 H GLN A 64 7.433 23.177 -15.017 1.00 0.00 H new ATOM 0 HA GLN A 64 6.169 22.838 -16.798 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.604 24.837 -17.950 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.830 25.128 -16.237 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.259 25.884 -16.945 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.564 26.022 -18.547 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.242 27.158 -15.156 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.399 28.658 -15.557 1.00 0.00 H new ATOM 698 N LEU A 65 8.241 21.698 -18.092 1.00 0.00 N ATOM 699 CA LEU A 65 8.898 20.916 -19.145 1.00 0.00 C ATOM 700 C LEU A 65 7.961 19.826 -19.705 1.00 0.00 C ATOM 701 O LEU A 65 8.303 18.647 -19.750 1.00 0.00 O ATOM 702 CB LEU A 65 10.255 20.371 -18.636 1.00 0.00 C ATOM 703 CG LEU A 65 11.299 21.434 -18.239 1.00 0.00 C ATOM 704 CD1 LEU A 65 12.616 20.794 -17.800 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.614 22.425 -19.361 1.00 0.00 C ATOM 0 H LEU A 65 8.360 21.288 -17.166 1.00 0.00 H new ATOM 0 HA LEU A 65 9.119 21.567 -19.991 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.068 19.733 -17.773 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.685 19.739 -19.413 1.00 0.00 H new ATOM 0 HG LEU A 65 10.840 21.975 -17.412 1.00 0.00 H new ATOM 0 HD11 LEU A 65 13.327 21.574 -17.528 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.438 20.149 -16.939 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.023 20.202 -18.619 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.355 23.144 -19.013 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.008 21.886 -20.223 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.704 22.952 -19.647 1.00 0.00 H new ATOM 717 N TYR A 66 6.749 20.217 -20.097 1.00 0.00 N ATOM 718 CA TYR A 66 5.706 19.377 -20.698 1.00 0.00 C ATOM 719 C TYR A 66 5.234 19.948 -22.047 1.00 0.00 C ATOM 720 O TYR A 66 5.475 21.118 -22.358 1.00 0.00 O ATOM 721 CB TYR A 66 4.548 19.202 -19.699 1.00 0.00 C ATOM 722 CG TYR A 66 3.982 20.491 -19.127 1.00 0.00 C ATOM 723 CD1 TYR A 66 3.121 21.295 -19.900 1.00 0.00 C ATOM 724 CD2 TYR A 66 4.320 20.886 -17.819 1.00 0.00 C ATOM 725 CE1 TYR A 66 2.608 22.497 -19.374 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.795 22.077 -17.284 1.00 0.00 C ATOM 727 CZ TYR A 66 2.944 22.891 -18.061 1.00 0.00 C ATOM 728 OH TYR A 66 2.459 24.050 -17.535 1.00 0.00 O ATOM 0 H TYR A 66 6.448 21.187 -19.999 1.00 0.00 H new ATOM 0 HA TYR A 66 6.120 18.392 -20.914 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.743 18.659 -20.194 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.893 18.579 -18.874 1.00 0.00 H new ATOM 0 HD1 TYR A 66 2.853 20.988 -20.900 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.983 20.274 -17.225 1.00 0.00 H new ATOM 0 HE1 TYR A 66 1.958 23.116 -19.975 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.045 22.369 -16.275 1.00 0.00 H new ATOM 0 HH TYR A 66 2.794 24.159 -16.620 1.00 0.00 H new ATOM 738 N ASP A 67 4.567 19.133 -22.870 1.00 0.00 N ATOM 739 CA ASP A 67 4.061 19.579 -24.177 1.00 0.00 C ATOM 740 C ASP A 67 2.855 20.522 -24.032 1.00 0.00 C ATOM 741 O ASP A 67 1.941 20.255 -23.250 1.00 0.00 O ATOM 742 CB ASP A 67 3.658 18.384 -25.049 1.00 0.00 C ATOM 743 CG ASP A 67 3.682 18.750 -26.540 1.00 0.00 C ATOM 744 OD1 ASP A 67 2.720 19.396 -27.016 1.00 0.00 O ATOM 745 OD2 ASP A 67 4.676 18.418 -27.230 1.00 0.00 O ATOM 0 H ASP A 67 4.363 18.157 -22.655 1.00 0.00 H new ATOM 0 HA ASP A 67 4.875 20.123 -24.657 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.337 17.551 -24.865 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.659 18.048 -24.771 1.00 0.00 H new ATOM 750 N GLN A 68 2.791 21.594 -24.827 1.00 0.00 N ATOM 751 CA GLN A 68 1.633 22.469 -24.880 1.00 0.00 C ATOM 752 C GLN A 68 0.338 21.725 -25.249 1.00 0.00 C ATOM 753 O GLN A 68 -0.668 21.891 -24.557 1.00 0.00 O ATOM 754 CB GLN A 68 1.959 23.603 -25.871 1.00 0.00 C ATOM 755 CG GLN A 68 1.448 24.955 -25.382 1.00 0.00 C ATOM 756 CD GLN A 68 0.014 25.290 -25.808 1.00 0.00 C ATOM 757 OE1 GLN A 68 -0.242 26.286 -26.473 1.00 0.00 O ATOM 758 NE2 GLN A 68 -0.984 24.499 -25.461 1.00 0.00 N ATOM 0 H GLN A 68 3.547 21.874 -25.451 1.00 0.00 H new ATOM 0 HA GLN A 68 1.437 22.879 -23.889 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.038 23.655 -26.020 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.514 23.376 -26.840 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.504 24.977 -24.294 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.114 25.735 -25.751 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.802 23.662 -24.907 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.937 24.725 -25.747 1.00 0.00 H new ATOM 767 N GLN A 69 0.339 20.900 -26.299 1.00 0.00 N ATOM 768 CA GLN A 69 -0.856 20.176 -26.759 1.00 0.00 C ATOM 769 C GLN A 69 -1.140 18.904 -25.943 1.00 0.00 C ATOM 770 O GLN A 69 -2.191 18.281 -26.113 1.00 0.00 O ATOM 771 CB GLN A 69 -0.758 19.878 -28.268 1.00 0.00 C ATOM 772 CG GLN A 69 -1.075 21.091 -29.164 1.00 0.00 C ATOM 773 CD GLN A 69 -0.011 22.193 -29.173 1.00 0.00 C ATOM 774 OE1 GLN A 69 1.190 21.956 -29.196 1.00 0.00 O ATOM 775 NE2 GLN A 69 -0.408 23.450 -29.188 1.00 0.00 N ATOM 0 H GLN A 69 1.171 20.712 -26.859 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.712 20.830 -26.591 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.248 19.524 -28.494 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.444 19.067 -28.514 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.219 20.740 -30.186 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.021 21.524 -28.839 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.404 23.671 -29.169 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.281 24.202 -29.218 1.00 0.00 H new ATOM 784 N GLU A 70 -0.238 18.533 -25.032 1.00 0.00 N ATOM 785 CA GLU A 70 -0.432 17.408 -24.108 1.00 0.00 C ATOM 786 C GLU A 70 0.418 17.571 -22.844 1.00 0.00 C ATOM 787 O GLU A 70 1.510 17.020 -22.704 1.00 0.00 O ATOM 788 CB GLU A 70 -0.235 16.026 -24.769 1.00 0.00 C ATOM 789 CG GLU A 70 0.826 15.940 -25.878 1.00 0.00 C ATOM 790 CD GLU A 70 0.820 14.548 -26.541 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.091 14.264 -27.360 1.00 0.00 O ATOM 792 OE2 GLU A 70 1.738 13.732 -26.280 1.00 0.00 O ATOM 0 H GLU A 70 0.657 19.008 -24.912 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.480 17.437 -23.810 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.027 15.310 -23.990 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.191 15.708 -25.186 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.634 16.706 -26.630 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.812 16.143 -25.460 1.00 0.00 H new ATOM 799 N GLN A 71 -0.152 18.286 -21.870 1.00 0.00 N ATOM 800 CA GLN A 71 0.439 18.486 -20.539 1.00 0.00 C ATOM 801 C GLN A 71 0.635 17.157 -19.785 1.00 0.00 C ATOM 802 O GLN A 71 1.391 17.092 -18.814 1.00 0.00 O ATOM 803 CB GLN A 71 -0.461 19.430 -19.727 1.00 0.00 C ATOM 804 CG GLN A 71 -0.674 20.782 -20.442 1.00 0.00 C ATOM 805 CD GLN A 71 -1.602 21.750 -19.708 1.00 0.00 C ATOM 806 OE1 GLN A 71 -1.832 21.682 -18.506 1.00 0.00 O ATOM 807 NE2 GLN A 71 -2.176 22.700 -20.421 1.00 0.00 N ATOM 0 H GLN A 71 -1.053 18.751 -21.984 1.00 0.00 H new ATOM 0 HA GLN A 71 1.427 18.927 -20.668 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.427 18.954 -19.557 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.015 19.604 -18.748 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.295 21.262 -20.580 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.080 20.593 -21.436 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.993 22.767 -21.422 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.803 23.367 -19.971 1.00 0.00 H new ATOM 816 N HIS A 72 -0.020 16.085 -20.260 1.00 0.00 N ATOM 817 CA HIS A 72 0.132 14.723 -19.755 1.00 0.00 C ATOM 818 C HIS A 72 1.529 14.123 -20.036 1.00 0.00 C ATOM 819 O HIS A 72 1.943 13.195 -19.336 1.00 0.00 O ATOM 820 CB HIS A 72 -1.023 13.842 -20.291 1.00 0.00 C ATOM 821 CG HIS A 72 -0.606 12.787 -21.291 1.00 0.00 C ATOM 822 ND1 HIS A 72 -0.098 13.044 -22.564 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.561 11.442 -21.064 1.00 0.00 C ATOM 824 CE1 HIS A 72 0.260 11.854 -23.071 1.00 0.00 C ATOM 825 NE2 HIS A 72 -0.018 10.871 -22.196 1.00 0.00 N ATOM 0 H HIS A 72 -0.688 16.151 -21.028 1.00 0.00 H new ATOM 0 HA HIS A 72 0.065 14.754 -18.667 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.508 13.351 -19.447 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.768 14.488 -20.755 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.887 10.926 -20.173 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.707 11.707 -24.043 1.00 0.00 H new ATOM 0 HE2 HIS A 72 0.145 9.875 -22.344 1.00 0.00 H new ATOM 833 N MET A 73 2.245 14.651 -21.039 1.00 0.00 N ATOM 834 CA MET A 73 3.554 14.202 -21.522 1.00 0.00 C ATOM 835 C MET A 73 4.663 15.185 -21.113 1.00 0.00 C ATOM 836 O MET A 73 4.531 16.399 -21.284 1.00 0.00 O ATOM 837 CB MET A 73 3.499 14.033 -23.050 1.00 0.00 C ATOM 838 CG MET A 73 4.865 13.730 -23.676 1.00 0.00 C ATOM 839 SD MET A 73 5.691 12.224 -23.093 1.00 0.00 S ATOM 840 CE MET A 73 4.929 11.014 -24.202 1.00 0.00 C ATOM 0 H MET A 73 1.902 15.454 -21.566 1.00 0.00 H new ATOM 0 HA MET A 73 3.792 13.242 -21.065 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.808 13.226 -23.295 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.097 14.943 -23.495 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.739 13.656 -24.756 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.524 14.578 -23.489 1.00 0.00 H new ATOM 0 HE1 MET A 73 5.323 10.022 -23.984 1.00 0.00 H new ATOM 0 HE2 MET A 73 3.849 11.016 -24.055 1.00 0.00 H new ATOM 0 HE3 MET A 73 5.155 11.275 -25.236 1.00 0.00 H new ATOM 850 N VAL A 74 5.780 14.653 -20.615 1.00 0.00 N ATOM 851 CA VAL A 74 6.908 15.397 -20.037 1.00 0.00 C ATOM 852 C VAL A 74 8.166 15.211 -20.899 1.00 0.00 C ATOM 853 O VAL A 74 8.522 14.089 -21.264 1.00 0.00 O ATOM 854 CB VAL A 74 7.159 14.935 -18.584 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.175 15.840 -17.888 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.875 14.948 -17.737 1.00 0.00 C ATOM 0 H VAL A 74 5.933 13.645 -20.601 1.00 0.00 H new ATOM 0 HA VAL A 74 6.663 16.459 -20.021 1.00 0.00 H new ATOM 0 HB VAL A 74 7.536 13.915 -18.659 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.333 15.492 -16.867 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.120 15.812 -18.431 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.798 16.863 -17.869 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.104 14.615 -16.724 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.471 15.960 -17.704 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.139 14.278 -18.181 1.00 0.00 H new ATOM 866 N TYR A 75 8.855 16.317 -21.190 1.00 0.00 N ATOM 867 CA TYR A 75 10.085 16.415 -21.982 1.00 0.00 C ATOM 868 C TYR A 75 11.089 17.364 -21.307 1.00 0.00 C ATOM 869 O TYR A 75 11.208 18.549 -21.619 1.00 0.00 O ATOM 870 CB TYR A 75 9.761 16.899 -23.399 1.00 0.00 C ATOM 871 CG TYR A 75 9.037 15.882 -24.251 1.00 0.00 C ATOM 872 CD1 TYR A 75 9.642 14.634 -24.470 1.00 0.00 C ATOM 873 CD2 TYR A 75 7.783 16.167 -24.827 1.00 0.00 C ATOM 874 CE1 TYR A 75 8.990 13.655 -25.228 1.00 0.00 C ATOM 875 CE2 TYR A 75 7.145 15.203 -25.634 1.00 0.00 C ATOM 876 CZ TYR A 75 7.745 13.937 -25.832 1.00 0.00 C ATOM 877 OH TYR A 75 7.142 12.995 -26.612 1.00 0.00 O ATOM 0 H TYR A 75 8.548 17.231 -20.856 1.00 0.00 H new ATOM 0 HA TYR A 75 10.539 15.426 -22.044 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.152 17.800 -23.332 1.00 0.00 H new ATOM 0 HB3 TYR A 75 10.690 17.178 -23.897 1.00 0.00 H new ATOM 0 HD1 TYR A 75 10.616 14.429 -24.051 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.311 17.122 -24.651 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.440 12.681 -25.351 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.198 15.431 -26.101 1.00 0.00 H new ATOM 0 HH TYR A 75 6.292 13.346 -26.951 1.00 0.00 H new ATOM 887 N CYS A 76 11.845 16.799 -20.377 1.00 0.00 N ATOM 888 CA CYS A 76 12.851 17.432 -19.519 1.00 0.00 C ATOM 889 C CYS A 76 14.208 17.643 -20.218 1.00 0.00 C ATOM 890 O CYS A 76 15.256 17.418 -19.611 1.00 0.00 O ATOM 891 CB CYS A 76 13.018 16.524 -18.301 1.00 0.00 C ATOM 892 SG CYS A 76 11.548 16.533 -17.239 1.00 0.00 S ATOM 0 H CYS A 76 11.768 15.801 -20.182 1.00 0.00 H new ATOM 0 HA CYS A 76 12.510 18.431 -19.247 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.219 15.505 -18.633 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.884 16.848 -17.724 1.00 0.00 H new ATOM 0 HG CYS A 76 11.550 15.473 -16.487 1.00 0.00 H new ATOM 898 N GLY A 77 14.215 18.012 -21.499 1.00 0.00 N ATOM 899 CA GLY A 77 15.426 18.005 -22.322 1.00 0.00 C ATOM 900 C GLY A 77 16.614 18.771 -21.719 1.00 0.00 C ATOM 901 O GLY A 77 16.573 19.996 -21.583 1.00 0.00 O ATOM 0 H GLY A 77 13.381 18.324 -21.996 1.00 0.00 H new ATOM 0 HA2 GLY A 77 15.727 16.971 -22.494 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.190 18.435 -23.296 1.00 0.00 H new ATOM 905 N GLY A 78 17.669 18.033 -21.357 1.00 0.00 N ATOM 906 CA GLY A 78 18.897 18.559 -20.747 1.00 0.00 C ATOM 907 C GLY A 78 18.784 19.022 -19.282 1.00 0.00 C ATOM 908 O GLY A 78 19.706 19.680 -18.794 1.00 0.00 O ATOM 0 H GLY A 78 17.693 17.021 -21.484 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.665 17.788 -20.804 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.244 19.401 -21.347 1.00 0.00 H new ATOM 912 N ASP A 79 17.690 18.722 -18.568 1.00 0.00 N ATOM 913 CA ASP A 79 17.471 19.156 -17.185 1.00 0.00 C ATOM 914 C ASP A 79 18.106 18.192 -16.159 1.00 0.00 C ATOM 915 O ASP A 79 18.301 16.991 -16.402 1.00 0.00 O ATOM 916 CB ASP A 79 15.962 19.369 -16.959 1.00 0.00 C ATOM 917 CG ASP A 79 15.641 20.020 -15.606 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.745 21.260 -15.460 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.315 19.271 -14.660 1.00 0.00 O ATOM 0 H ASP A 79 16.923 18.163 -18.942 1.00 0.00 H new ATOM 0 HA ASP A 79 17.980 20.106 -17.024 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.566 19.994 -17.759 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.452 18.408 -17.023 1.00 0.00 H new ATOM 924 N LEU A 80 18.382 18.716 -14.962 1.00 0.00 N ATOM 925 CA LEU A 80 18.858 17.933 -13.821 1.00 0.00 C ATOM 926 C LEU A 80 17.906 16.777 -13.452 1.00 0.00 C ATOM 927 O LEU A 80 18.368 15.742 -12.981 1.00 0.00 O ATOM 928 CB LEU A 80 19.121 18.881 -12.635 1.00 0.00 C ATOM 929 CG LEU A 80 20.614 19.209 -12.436 1.00 0.00 C ATOM 930 CD1 LEU A 80 21.205 19.975 -13.622 1.00 0.00 C ATOM 931 CD2 LEU A 80 20.811 20.062 -11.182 1.00 0.00 C ATOM 0 H LEU A 80 18.279 19.710 -14.756 1.00 0.00 H new ATOM 0 HA LEU A 80 19.793 17.447 -14.099 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.570 19.808 -12.791 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.731 18.428 -11.723 1.00 0.00 H new ATOM 0 HG LEU A 80 21.127 18.252 -12.341 1.00 0.00 H new ATOM 0 HD11 LEU A 80 22.258 20.182 -13.433 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.110 19.375 -14.527 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.668 20.915 -13.752 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.871 20.285 -11.056 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.254 20.993 -11.284 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.449 19.517 -10.310 1.00 0.00 H new ATOM 943 N LEU A 81 16.601 16.893 -13.721 1.00 0.00 N ATOM 944 CA LEU A 81 15.650 15.785 -13.566 1.00 0.00 C ATOM 945 C LEU A 81 15.891 14.663 -14.593 1.00 0.00 C ATOM 946 O LEU A 81 15.805 13.489 -14.245 1.00 0.00 O ATOM 947 CB LEU A 81 14.216 16.343 -13.618 1.00 0.00 C ATOM 948 CG LEU A 81 13.114 15.283 -13.434 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.237 14.541 -12.101 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.732 15.930 -13.482 1.00 0.00 C ATOM 0 H LEU A 81 16.173 17.758 -14.052 1.00 0.00 H new ATOM 0 HA LEU A 81 15.803 15.317 -12.594 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.106 17.102 -12.843 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.068 16.841 -14.576 1.00 0.00 H new ATOM 0 HG LEU A 81 13.238 14.572 -14.251 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.437 13.805 -12.019 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.202 14.036 -12.053 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.160 15.253 -11.280 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.967 15.165 -13.350 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.648 16.668 -12.684 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.593 16.420 -14.446 1.00 0.00 H new ATOM 962 N GLY A 82 16.252 14.996 -15.836 1.00 0.00 N ATOM 963 CA GLY A 82 16.727 14.025 -16.834 1.00 0.00 C ATOM 964 C GLY A 82 18.032 13.358 -16.420 1.00 0.00 C ATOM 965 O GLY A 82 18.149 12.143 -16.554 1.00 0.00 O ATOM 0 H GLY A 82 16.224 15.955 -16.184 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.964 13.261 -16.986 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.867 14.530 -17.790 1.00 0.00 H new ATOM 969 N GLU A 83 18.974 14.097 -15.831 1.00 0.00 N ATOM 970 CA GLU A 83 20.191 13.532 -15.275 1.00 0.00 C ATOM 971 C GLU A 83 19.903 12.595 -14.079 1.00 0.00 C ATOM 972 O GLU A 83 20.514 11.529 -13.967 1.00 0.00 O ATOM 973 CB GLU A 83 21.078 14.732 -14.920 1.00 0.00 C ATOM 974 CG GLU A 83 22.342 14.275 -14.226 1.00 0.00 C ATOM 975 CD GLU A 83 23.358 15.421 -14.064 1.00 0.00 C ATOM 976 OE1 GLU A 83 24.157 15.666 -15.002 1.00 0.00 O ATOM 977 OE2 GLU A 83 23.380 16.077 -12.995 1.00 0.00 O ATOM 0 H GLU A 83 18.907 15.110 -15.729 1.00 0.00 H new ATOM 0 HA GLU A 83 20.702 12.884 -15.988 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.333 15.283 -15.825 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.530 15.417 -14.274 1.00 0.00 H new ATOM 0 HG2 GLU A 83 22.091 13.871 -13.245 1.00 0.00 H new ATOM 0 HG3 GLU A 83 22.797 13.465 -14.797 1.00 0.00 H new ATOM 984 N LEU A 84 18.933 12.946 -13.223 1.00 0.00 N ATOM 985 CA LEU A 84 18.520 12.154 -12.059 1.00 0.00 C ATOM 986 C LEU A 84 17.799 10.853 -12.464 1.00 0.00 C ATOM 987 O LEU A 84 18.114 9.781 -11.945 1.00 0.00 O ATOM 988 CB LEU A 84 17.674 13.061 -11.139 1.00 0.00 C ATOM 989 CG LEU A 84 17.146 12.418 -9.837 1.00 0.00 C ATOM 990 CD1 LEU A 84 16.886 13.500 -8.785 1.00 0.00 C ATOM 991 CD2 LEU A 84 15.815 11.685 -10.026 1.00 0.00 C ATOM 0 H LEU A 84 18.401 13.811 -13.325 1.00 0.00 H new ATOM 0 HA LEU A 84 19.398 11.815 -11.509 1.00 0.00 H new ATOM 0 HB2 LEU A 84 18.274 13.931 -10.871 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.820 13.426 -11.710 1.00 0.00 H new ATOM 0 HG LEU A 84 17.914 11.709 -9.530 1.00 0.00 H new ATOM 0 HD11 LEU A 84 16.514 13.037 -7.871 1.00 0.00 H new ATOM 0 HD12 LEU A 84 17.814 14.030 -8.571 1.00 0.00 H new ATOM 0 HD13 LEU A 84 16.144 14.204 -9.163 1.00 0.00 H new ATOM 0 HD21 LEU A 84 15.498 11.256 -9.076 1.00 0.00 H new ATOM 0 HD22 LEU A 84 15.059 12.388 -10.377 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.939 10.889 -10.760 1.00 0.00 H new ATOM 1003 N LEU A 85 16.847 10.942 -13.402 1.00 0.00 N ATOM 1004 CA LEU A 85 16.055 9.806 -13.908 1.00 0.00 C ATOM 1005 C LEU A 85 16.795 8.974 -14.978 1.00 0.00 C ATOM 1006 O LEU A 85 16.386 7.852 -15.282 1.00 0.00 O ATOM 1007 CB LEU A 85 14.727 10.345 -14.483 1.00 0.00 C ATOM 1008 CG LEU A 85 13.754 10.974 -13.466 1.00 0.00 C ATOM 1009 CD1 LEU A 85 12.581 11.580 -14.233 1.00 0.00 C ATOM 1010 CD2 LEU A 85 13.176 9.966 -12.474 1.00 0.00 C ATOM 0 H LEU A 85 16.598 11.827 -13.843 1.00 0.00 H new ATOM 0 HA LEU A 85 15.874 9.132 -13.070 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.960 11.092 -15.242 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.214 9.526 -14.988 1.00 0.00 H new ATOM 0 HG LEU A 85 14.322 11.713 -12.901 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.880 12.031 -13.530 1.00 0.00 H new ATOM 0 HD12 LEU A 85 12.950 12.344 -14.918 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.074 10.799 -14.800 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.500 10.477 -11.788 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.628 9.195 -13.016 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.987 9.506 -11.909 1.00 0.00 H new ATOM 1022 N GLY A 86 17.837 9.541 -15.596 1.00 0.00 N ATOM 1023 CA GLY A 86 18.597 8.959 -16.709 1.00 0.00 C ATOM 1024 C GLY A 86 17.888 9.006 -18.073 1.00 0.00 C ATOM 1025 O GLY A 86 18.410 8.444 -19.039 1.00 0.00 O ATOM 0 H GLY A 86 18.189 10.458 -15.322 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.549 9.483 -16.793 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.825 7.920 -16.470 1.00 0.00 H new ATOM 1029 N ARG A 87 16.697 9.632 -18.164 1.00 0.00 N ATOM 1030 CA ARG A 87 15.813 9.560 -19.354 1.00 0.00 C ATOM 1031 C ARG A 87 15.163 10.822 -19.843 1.00 0.00 C ATOM 1032 O ARG A 87 15.027 10.973 -21.050 1.00 0.00 O ATOM 1033 CB ARG A 87 14.701 8.513 -19.126 1.00 0.00 C ATOM 1034 CG ARG A 87 15.236 7.086 -19.070 1.00 0.00 C ATOM 1035 CD ARG A 87 14.128 6.101 -18.694 1.00 0.00 C ATOM 1036 NE ARG A 87 14.643 4.732 -18.501 1.00 0.00 N ATOM 1037 CZ ARG A 87 15.036 4.183 -17.363 1.00 0.00 C ATOM 1038 NH1 ARG A 87 15.208 4.848 -16.258 1.00 0.00 N ATOM 1039 NH2 ARG A 87 15.271 2.909 -17.278 1.00 0.00 N ATOM 0 H ARG A 87 16.316 10.206 -17.412 1.00 0.00 H new ATOM 0 HA ARG A 87 16.517 9.293 -20.142 1.00 0.00 H new ATOM 0 HB2 ARG A 87 14.182 8.738 -18.195 1.00 0.00 H new ATOM 0 HB3 ARG A 87 13.966 8.590 -19.927 1.00 0.00 H new ATOM 0 HG2 ARG A 87 15.657 6.813 -20.038 1.00 0.00 H new ATOM 0 HG3 ARG A 87 16.045 7.025 -18.342 1.00 0.00 H new ATOM 0 HD2 ARG A 87 13.641 6.437 -17.779 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.368 6.095 -19.476 1.00 0.00 H new ATOM 0 HE ARG A 87 14.702 4.146 -19.334 1.00 0.00 H new ATOM 0 HH11 ARG A 87 15.038 5.853 -16.236 1.00 0.00 H new ATOM 0 HH12 ARG A 87 15.513 4.364 -15.414 1.00 0.00 H new ATOM 0 HH21 ARG A 87 15.153 2.313 -18.097 1.00 0.00 H new ATOM 0 HH22 ARG A 87 15.573 2.504 -16.392 1.00 0.00 H new ATOM 1053 N GLN A 88 14.757 11.701 -18.937 1.00 0.00 N ATOM 1054 CA GLN A 88 14.137 12.995 -19.233 1.00 0.00 C ATOM 1055 C GLN A 88 12.809 12.957 -20.023 1.00 0.00 C ATOM 1056 O GLN A 88 12.299 14.021 -20.368 1.00 0.00 O ATOM 1057 CB GLN A 88 15.227 13.921 -19.814 1.00 0.00 C ATOM 1058 CG GLN A 88 15.284 14.033 -21.341 1.00 0.00 C ATOM 1059 CD GLN A 88 16.733 14.056 -21.811 1.00 0.00 C ATOM 1060 OE1 GLN A 88 17.368 15.094 -21.950 1.00 0.00 O ATOM 1061 NE2 GLN A 88 17.317 12.890 -21.993 1.00 0.00 N ATOM 0 H GLN A 88 14.852 11.530 -17.936 1.00 0.00 H new ATOM 0 HA GLN A 88 13.768 13.415 -18.297 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.081 14.920 -19.404 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.197 13.570 -19.461 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.760 13.192 -21.795 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.774 14.940 -21.666 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.783 12.029 -21.876 1.00 0.00 H new ATOM 0 HE22 GLN A 88 18.303 12.848 -22.251 1.00 0.00 H new ATOM 1070 N SER A 89 12.218 11.787 -20.303 1.00 0.00 N ATOM 1071 CA SER A 89 10.871 11.746 -20.903 1.00 0.00 C ATOM 1072 C SER A 89 10.007 10.568 -20.448 1.00 0.00 C ATOM 1073 O SER A 89 10.472 9.433 -20.317 1.00 0.00 O ATOM 1074 CB SER A 89 10.923 11.854 -22.431 1.00 0.00 C ATOM 1075 OG SER A 89 11.637 10.780 -23.028 1.00 0.00 O ATOM 0 H SER A 89 12.637 10.874 -20.130 1.00 0.00 H new ATOM 0 HA SER A 89 10.367 12.632 -20.517 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.907 11.874 -22.825 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.392 12.798 -22.710 1.00 0.00 H new ATOM 0 HG SER A 89 11.642 10.891 -24.002 1.00 0.00 H new ATOM 1081 N PHE A 90 8.748 10.889 -20.146 1.00 0.00 N ATOM 1082 CA PHE A 90 7.711 10.019 -19.582 1.00 0.00 C ATOM 1083 C PHE A 90 6.353 10.738 -19.634 1.00 0.00 C ATOM 1084 O PHE A 90 6.292 11.948 -19.862 1.00 0.00 O ATOM 1085 CB PHE A 90 8.059 9.652 -18.126 1.00 0.00 C ATOM 1086 CG PHE A 90 8.367 10.811 -17.192 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.673 11.334 -17.117 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.355 11.349 -16.373 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.964 12.394 -16.242 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.655 12.391 -15.477 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.961 12.907 -15.404 1.00 0.00 C ATOM 0 H PHE A 90 8.399 11.835 -20.300 1.00 0.00 H new ATOM 0 HA PHE A 90 7.656 9.102 -20.168 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.226 9.088 -17.707 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.921 8.985 -18.138 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.455 10.918 -17.735 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.349 10.961 -16.433 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.959 12.814 -16.214 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.880 12.796 -14.843 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.192 13.697 -14.704 1.00 0.00 H new ATOM 1101 N SER A 91 5.258 10.022 -19.388 1.00 0.00 N ATOM 1102 CA SER A 91 3.914 10.609 -19.281 1.00 0.00 C ATOM 1103 C SER A 91 3.178 10.088 -18.048 1.00 0.00 C ATOM 1104 O SER A 91 3.617 9.132 -17.410 1.00 0.00 O ATOM 1105 CB SER A 91 3.119 10.334 -20.561 1.00 0.00 C ATOM 1106 OG SER A 91 2.618 9.007 -20.555 1.00 0.00 O ATOM 0 H SER A 91 5.273 9.011 -19.256 1.00 0.00 H new ATOM 0 HA SER A 91 4.016 11.688 -19.162 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.293 11.041 -20.643 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.756 10.485 -21.432 1.00 0.00 H new ATOM 0 HG SER A 91 2.111 8.845 -21.378 1.00 0.00 H new ATOM 1112 N VAL A 92 2.016 10.662 -17.725 1.00 0.00 N ATOM 1113 CA VAL A 92 1.145 10.114 -16.664 1.00 0.00 C ATOM 1114 C VAL A 92 0.464 8.786 -17.056 1.00 0.00 C ATOM 1115 O VAL A 92 -0.123 8.125 -16.197 1.00 0.00 O ATOM 1116 CB VAL A 92 0.141 11.156 -16.138 1.00 0.00 C ATOM 1117 CG1 VAL A 92 0.878 12.390 -15.601 1.00 0.00 C ATOM 1118 CG2 VAL A 92 -0.856 11.604 -17.209 1.00 0.00 C ATOM 0 H VAL A 92 1.652 11.501 -18.176 1.00 0.00 H new ATOM 0 HA VAL A 92 1.808 9.868 -15.835 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.416 10.669 -15.337 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.153 13.116 -15.233 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.539 12.093 -14.787 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.467 12.839 -16.401 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.540 12.339 -16.785 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.317 12.051 -18.044 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.422 10.742 -17.562 1.00 0.00 H new ATOM 1128 N LYS A 93 0.565 8.366 -18.331 1.00 0.00 N ATOM 1129 CA LYS A 93 0.167 7.030 -18.823 1.00 0.00 C ATOM 1130 C LYS A 93 1.339 6.036 -18.876 1.00 0.00 C ATOM 1131 O LYS A 93 1.120 4.830 -18.755 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.518 7.152 -20.195 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.890 7.839 -20.098 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.577 7.900 -21.470 1.00 0.00 C ATOM 1135 CE LYS A 93 -3.943 8.590 -21.351 1.00 0.00 C ATOM 1136 NZ LYS A 93 -4.648 8.642 -22.662 1.00 0.00 N ATOM 0 H LYS A 93 0.936 8.963 -19.070 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.543 6.622 -18.104 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.123 7.718 -20.871 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.640 6.159 -20.628 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.523 7.297 -19.395 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.768 8.848 -19.704 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.948 8.443 -22.176 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.704 6.892 -21.866 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.559 8.056 -20.627 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.808 9.602 -20.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.567 9.115 -22.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.071 9.173 -23.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.799 7.675 -23.014 1.00 0.00 H new ATOM 1150 N ASP A 94 2.574 6.529 -19.006 1.00 0.00 N ATOM 1151 CA ASP A 94 3.822 5.753 -18.968 1.00 0.00 C ATOM 1152 C ASP A 94 4.865 6.379 -18.000 1.00 0.00 C ATOM 1153 O ASP A 94 5.863 6.955 -18.449 1.00 0.00 O ATOM 1154 CB ASP A 94 4.343 5.597 -20.407 1.00 0.00 C ATOM 1155 CG ASP A 94 5.577 4.681 -20.498 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.666 3.691 -19.731 1.00 0.00 O ATOM 1157 OD2 ASP A 94 6.440 4.916 -21.379 1.00 0.00 O ATOM 0 H ASP A 94 2.741 7.525 -19.147 1.00 0.00 H new ATOM 0 HA ASP A 94 3.630 4.760 -18.562 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.549 5.192 -21.034 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.595 6.580 -20.806 1.00 0.00 H new ATOM 1162 N PRO A 95 4.637 6.304 -16.669 1.00 0.00 N ATOM 1163 CA PRO A 95 5.437 6.982 -15.635 1.00 0.00 C ATOM 1164 C PRO A 95 6.659 6.182 -15.131 1.00 0.00 C ATOM 1165 O PRO A 95 7.207 6.485 -14.071 1.00 0.00 O ATOM 1166 CB PRO A 95 4.429 7.276 -14.518 1.00 0.00 C ATOM 1167 CG PRO A 95 3.534 6.039 -14.566 1.00 0.00 C ATOM 1168 CD PRO A 95 3.415 5.783 -16.063 1.00 0.00 C ATOM 0 HA PRO A 95 5.905 7.880 -16.038 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.915 7.391 -13.549 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.869 8.192 -14.704 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.981 5.193 -14.043 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.563 6.222 -14.106 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.304 4.718 -16.267 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.536 6.280 -16.473 1.00 0.00 H new ATOM 1176 N SER A 96 7.092 5.147 -15.855 1.00 0.00 N ATOM 1177 CA SER A 96 8.098 4.162 -15.413 1.00 0.00 C ATOM 1178 C SER A 96 9.439 4.685 -14.844 1.00 0.00 C ATOM 1179 O SER A 96 9.948 4.014 -13.941 1.00 0.00 O ATOM 1180 CB SER A 96 8.360 3.129 -16.519 1.00 0.00 C ATOM 1181 OG SER A 96 8.992 3.711 -17.648 1.00 0.00 O ATOM 0 H SER A 96 6.745 4.960 -16.796 1.00 0.00 H new ATOM 0 HA SER A 96 7.622 3.716 -14.540 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.985 2.327 -16.126 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.416 2.677 -16.824 1.00 0.00 H new ATOM 0 HG SER A 96 9.144 3.023 -18.329 1.00 0.00 H new ATOM 1187 N PRO A 97 10.028 5.843 -15.235 1.00 0.00 N ATOM 1188 CA PRO A 97 11.342 6.254 -14.713 1.00 0.00 C ATOM 1189 C PRO A 97 11.352 6.558 -13.204 1.00 0.00 C ATOM 1190 O PRO A 97 12.341 6.273 -12.531 1.00 0.00 O ATOM 1191 CB PRO A 97 11.766 7.469 -15.549 1.00 0.00 C ATOM 1192 CG PRO A 97 10.984 7.284 -16.846 1.00 0.00 C ATOM 1193 CD PRO A 97 9.663 6.716 -16.344 1.00 0.00 C ATOM 0 HA PRO A 97 12.049 5.430 -14.807 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.512 8.407 -15.055 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.842 7.482 -15.725 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.847 8.226 -17.377 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.487 6.602 -17.531 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.990 7.509 -16.018 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.147 6.163 -17.129 1.00 0.00 H new ATOM 1201 N LEU A 98 10.236 7.058 -12.656 1.00 0.00 N ATOM 1202 CA LEU A 98 9.994 7.209 -11.209 1.00 0.00 C ATOM 1203 C LEU A 98 10.174 5.861 -10.488 1.00 0.00 C ATOM 1204 O LEU A 98 10.912 5.733 -9.508 1.00 0.00 O ATOM 1205 CB LEU A 98 8.562 7.784 -11.057 1.00 0.00 C ATOM 1206 CG LEU A 98 7.839 7.630 -9.703 1.00 0.00 C ATOM 1207 CD1 LEU A 98 8.558 8.326 -8.551 1.00 0.00 C ATOM 1208 CD2 LEU A 98 6.435 8.227 -9.812 1.00 0.00 C ATOM 0 H LEU A 98 9.451 7.379 -13.222 1.00 0.00 H new ATOM 0 HA LEU A 98 10.711 7.887 -10.746 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.608 8.848 -11.288 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.937 7.319 -11.820 1.00 0.00 H new ATOM 0 HG LEU A 98 7.814 6.562 -9.484 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.996 8.178 -7.629 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.557 7.905 -8.438 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.635 9.393 -8.762 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.919 8.121 -8.858 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.508 9.284 -10.069 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.876 7.703 -10.587 1.00 0.00 H new ATOM 1220 N TYR A 99 9.540 4.820 -11.017 1.00 0.00 N ATOM 1221 CA TYR A 99 9.562 3.501 -10.399 1.00 0.00 C ATOM 1222 C TYR A 99 10.893 2.773 -10.620 1.00 0.00 C ATOM 1223 O TYR A 99 11.327 2.033 -9.746 1.00 0.00 O ATOM 1224 CB TYR A 99 8.341 2.701 -10.860 1.00 0.00 C ATOM 1225 CG TYR A 99 7.038 3.430 -10.585 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.493 3.424 -9.286 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.420 4.185 -11.600 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.327 4.161 -9.004 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.264 4.934 -11.317 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.708 4.920 -10.019 1.00 0.00 C ATOM 1231 OH TYR A 99 3.582 5.635 -9.741 1.00 0.00 O ATOM 0 H TYR A 99 9.000 4.867 -11.881 1.00 0.00 H new ATOM 0 HA TYR A 99 9.493 3.615 -9.317 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.424 2.499 -11.928 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.329 1.736 -10.353 1.00 0.00 H new ATOM 0 HD1 TYR A 99 6.971 2.852 -8.504 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.834 4.189 -12.597 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.906 4.145 -8.010 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.800 5.522 -12.095 1.00 0.00 H new ATOM 0 HH TYR A 99 3.283 6.102 -10.549 1.00 0.00 H new ATOM 1241 N ASP A 100 11.601 3.035 -11.722 1.00 0.00 N ATOM 1242 CA ASP A 100 12.958 2.520 -11.959 1.00 0.00 C ATOM 1243 C ASP A 100 14.016 3.143 -11.028 1.00 0.00 C ATOM 1244 O ASP A 100 14.965 2.482 -10.606 1.00 0.00 O ATOM 1245 CB ASP A 100 13.337 2.803 -13.415 1.00 0.00 C ATOM 1246 CG ASP A 100 14.617 2.066 -13.841 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.748 0.852 -13.559 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.483 2.699 -14.490 1.00 0.00 O ATOM 0 H ASP A 100 11.248 3.615 -12.483 1.00 0.00 H new ATOM 0 HA ASP A 100 12.945 1.451 -11.748 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.515 2.505 -14.066 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.477 3.876 -13.549 1.00 0.00 H new ATOM 1253 N MET A 101 13.828 4.411 -10.660 1.00 0.00 N ATOM 1254 CA MET A 101 14.587 5.109 -9.635 1.00 0.00 C ATOM 1255 C MET A 101 14.272 4.533 -8.239 1.00 0.00 C ATOM 1256 O MET A 101 15.182 4.333 -7.431 1.00 0.00 O ATOM 1257 CB MET A 101 14.225 6.596 -9.808 1.00 0.00 C ATOM 1258 CG MET A 101 14.463 7.432 -8.564 1.00 0.00 C ATOM 1259 SD MET A 101 13.734 9.088 -8.630 1.00 0.00 S ATOM 1260 CE MET A 101 12.067 8.687 -8.039 1.00 0.00 C ATOM 0 H MET A 101 13.113 4.999 -11.088 1.00 0.00 H new ATOM 0 HA MET A 101 15.665 4.983 -9.733 1.00 0.00 H new ATOM 0 HB2 MET A 101 14.809 7.010 -10.630 1.00 0.00 H new ATOM 0 HB3 MET A 101 13.176 6.674 -10.092 1.00 0.00 H new ATOM 0 HG2 MET A 101 14.057 6.903 -7.702 1.00 0.00 H new ATOM 0 HG3 MET A 101 15.537 7.526 -8.404 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.336 9.292 -8.575 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.863 7.631 -8.215 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.999 8.897 -6.972 1.00 0.00 H new ATOM 1270 N LEU A 102 12.998 4.232 -7.953 1.00 0.00 N ATOM 1271 CA LEU A 102 12.569 3.661 -6.672 1.00 0.00 C ATOM 1272 C LEU A 102 13.036 2.218 -6.495 1.00 0.00 C ATOM 1273 O LEU A 102 13.650 1.933 -5.475 1.00 0.00 O ATOM 1274 CB LEU A 102 11.043 3.780 -6.549 1.00 0.00 C ATOM 1275 CG LEU A 102 10.580 5.209 -6.220 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.085 5.326 -6.488 1.00 0.00 C ATOM 1277 CD2 LEU A 102 10.876 5.546 -4.755 1.00 0.00 C ATOM 0 H LEU A 102 12.232 4.380 -8.610 1.00 0.00 H new ATOM 0 HA LEU A 102 13.038 4.228 -5.868 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.582 3.460 -7.483 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.692 3.101 -5.772 1.00 0.00 H new ATOM 0 HG LEU A 102 11.122 5.913 -6.851 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.752 6.338 -6.256 1.00 0.00 H new ATOM 0 HD12 LEU A 102 8.885 5.110 -7.538 1.00 0.00 H new ATOM 0 HD13 LEU A 102 8.546 4.614 -5.862 1.00 0.00 H new ATOM 0 HD21 LEU A 102 10.542 6.561 -4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.349 4.846 -4.107 1.00 0.00 H new ATOM 0 HD23 LEU A 102 11.948 5.471 -4.574 1.00 0.00 H new ATOM 1289 N ARG A 103 12.839 1.334 -7.484 1.00 0.00 N ATOM 1290 CA ARG A 103 13.100 -0.118 -7.370 1.00 0.00 C ATOM 1291 C ARG A 103 14.545 -0.467 -6.998 1.00 0.00 C ATOM 1292 O ARG A 103 14.798 -1.449 -6.303 1.00 0.00 O ATOM 1293 CB ARG A 103 12.629 -0.843 -8.652 1.00 0.00 C ATOM 1294 CG ARG A 103 13.409 -0.565 -9.947 1.00 0.00 C ATOM 1295 CD ARG A 103 14.660 -1.419 -10.202 1.00 0.00 C ATOM 1296 NE ARG A 103 15.273 -1.051 -11.490 1.00 0.00 N ATOM 1297 CZ ARG A 103 16.329 -1.583 -12.072 1.00 0.00 C ATOM 1298 NH1 ARG A 103 17.008 -2.567 -11.552 1.00 0.00 N ATOM 1299 NH2 ARG A 103 16.705 -1.099 -13.216 1.00 0.00 N ATOM 0 H ARG A 103 12.488 1.607 -8.402 1.00 0.00 H new ATOM 0 HA ARG A 103 12.512 -0.480 -6.526 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.660 -1.916 -8.463 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.585 -0.580 -8.824 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.729 -0.700 -10.788 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.709 0.483 -9.944 1.00 0.00 H new ATOM 0 HD2 ARG A 103 15.378 -1.275 -9.395 1.00 0.00 H new ATOM 0 HD3 ARG A 103 14.393 -2.476 -10.207 1.00 0.00 H new ATOM 0 HE ARG A 103 14.823 -0.288 -11.995 1.00 0.00 H new ATOM 0 HH11 ARG A 103 16.729 -2.961 -10.653 1.00 0.00 H new ATOM 0 HH12 ARG A 103 17.819 -2.943 -12.044 1.00 0.00 H new ATOM 0 HH21 ARG A 103 16.187 -0.329 -13.639 1.00 0.00 H new ATOM 0 HH22 ARG A 103 17.518 -1.489 -13.692 1.00 0.00 H new ATOM 1313 N LYS A 104 15.477 0.376 -7.451 1.00 0.00 N ATOM 1314 CA LYS A 104 16.921 0.337 -7.154 1.00 0.00 C ATOM 1315 C LYS A 104 17.244 0.714 -5.695 1.00 0.00 C ATOM 1316 O LYS A 104 18.249 0.262 -5.146 1.00 0.00 O ATOM 1317 CB LYS A 104 17.594 1.268 -8.178 1.00 0.00 C ATOM 1318 CG LYS A 104 19.112 1.414 -8.000 1.00 0.00 C ATOM 1319 CD LYS A 104 19.784 2.077 -9.214 1.00 0.00 C ATOM 1320 CE LYS A 104 19.133 3.418 -9.594 1.00 0.00 C ATOM 1321 NZ LYS A 104 19.884 4.095 -10.689 1.00 0.00 N ATOM 0 H LYS A 104 15.236 1.150 -8.070 1.00 0.00 H new ATOM 0 HA LYS A 104 17.306 -0.678 -7.247 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.393 0.891 -9.181 1.00 0.00 H new ATOM 0 HB3 LYS A 104 17.136 2.255 -8.110 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.315 2.006 -7.108 1.00 0.00 H new ATOM 0 HG3 LYS A 104 19.552 0.430 -7.837 1.00 0.00 H new ATOM 0 HD2 LYS A 104 20.840 2.239 -8.996 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.735 1.399 -10.066 1.00 0.00 H new ATOM 0 HE2 LYS A 104 18.103 3.248 -9.908 1.00 0.00 H new ATOM 0 HE3 LYS A 104 19.097 4.068 -8.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 19.420 4.996 -10.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 20.860 4.278 -10.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.897 3.484 -11.531 1.00 0.00 H new ATOM 1335 N ASN A 105 16.375 1.511 -5.071 1.00 0.00 N ATOM 1336 CA ASN A 105 16.408 1.899 -3.659 1.00 0.00 C ATOM 1337 C ASN A 105 15.420 1.035 -2.834 1.00 0.00 C ATOM 1338 O ASN A 105 15.790 -0.066 -2.419 1.00 0.00 O ATOM 1339 CB ASN A 105 16.219 3.425 -3.558 1.00 0.00 C ATOM 1340 CG ASN A 105 17.382 4.195 -4.168 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.399 4.424 -3.530 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.288 4.615 -5.412 1.00 0.00 N ATOM 0 H ASN A 105 15.585 1.926 -5.565 1.00 0.00 H new ATOM 0 HA ASN A 105 17.377 1.691 -3.205 1.00 0.00 H new ATOM 0 HB2 ASN A 105 15.295 3.708 -4.062 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.110 3.706 -2.511 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.061 5.128 -5.837 1.00 0.00 H new ATOM 0 HD22 ASN A 105 16.443 4.428 -5.951 1.00 0.00 H new