USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=15 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 72 HIS : no HD1:sc= -0.0764 K(o=0.41,f=-1.9!) USER MOD Set 1.2: A 91 SER OG : rot 51:sc= 0.487 USER MOD Set 2.1: A 59 TYR OH : rot 180:sc= 0.301 USER MOD Set 2.2: A 63 LYS NZ :NH3+ 178:sc= 0.878 (180deg=0.278) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.698 K(o=-0.7,f=-2) 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=-0.00656 X(o=-0.0066,f=-0.3) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 173:sc= 0 (180deg=-0.0575) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.031 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -168:sc= -0.0381 (180deg=-0.271) USER MOD Single : A 54 HIS : no HD1:sc= 0.00138 X(o=0.0014,f=-0.08) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.363 K(o=0.36,f=-0.63) USER MOD Single : A 61 MET CE :methyl -172:sc= 0 (180deg=-0.0733) USER MOD Single : A 64 GLN : amide:sc= 0.0168 X(o=0.017,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0796 F(o=-0.98,f=-0.08) USER MOD Single : A 69 GLN : amide:sc= -0.145 X(o=-0.15,f=-0.15) USER MOD Single : A 71 GLN : amide:sc= 0.482 K(o=0.48,f=-3.7!) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 35:sc= -0.6 USER MOD Single : A 88 GLN : amide:sc= 0.743 K(o=0.74,f=-5.1!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.173 K(o=-0.17,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 37 N ASN A 25 11.276 2.457 5.461 1.00 0.00 N ATOM 38 CA ASN A 25 11.314 1.544 4.314 1.00 0.00 C ATOM 39 C ASN A 25 11.263 2.258 2.942 1.00 0.00 C ATOM 40 O ASN A 25 10.649 1.775 1.992 1.00 0.00 O ATOM 41 CB ASN A 25 10.196 0.501 4.499 1.00 0.00 C ATOM 42 CG ASN A 25 10.160 -0.120 5.891 1.00 0.00 C ATOM 43 OD1 ASN A 25 9.196 0.023 6.630 1.00 0.00 O ATOM 44 ND2 ASN A 25 11.214 -0.776 6.322 1.00 0.00 N ATOM 0 HA ASN A 25 12.282 1.043 4.295 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.234 0.973 4.296 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.324 -0.291 3.761 1.00 0.00 H new ATOM 0 HD21 ASN A 25 11.224 -1.161 7.266 1.00 0.00 H new ATOM 0 HD22 ASN A 25 12.022 -0.900 5.712 1.00 0.00 H new ATOM 51 N GLN A 26 11.892 3.431 2.878 1.00 0.00 N ATOM 52 CA GLN A 26 11.811 4.455 1.826 1.00 0.00 C ATOM 53 C GLN A 26 13.191 4.918 1.326 1.00 0.00 C ATOM 54 O GLN A 26 14.239 4.431 1.764 1.00 0.00 O ATOM 55 CB GLN A 26 10.998 5.664 2.341 1.00 0.00 C ATOM 56 CG GLN A 26 9.805 5.336 3.252 1.00 0.00 C ATOM 57 CD GLN A 26 8.822 4.330 2.657 1.00 0.00 C ATOM 58 OE1 GLN A 26 8.678 4.186 1.452 1.00 0.00 O ATOM 59 NE2 GLN A 26 8.131 3.575 3.485 1.00 0.00 N ATOM 0 H GLN A 26 12.527 3.718 3.623 1.00 0.00 H new ATOM 0 HA GLN A 26 11.309 3.999 0.973 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.673 6.325 2.884 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.629 6.222 1.480 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.181 4.945 4.197 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.271 6.259 3.479 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.244 3.687 4.492 1.00 0.00 H new ATOM 0 HE22 GLN A 26 7.483 2.878 3.119 1.00 0.00 H new ATOM 68 N VAL A 27 13.176 5.884 0.403 1.00 0.00 N ATOM 69 CA VAL A 27 14.356 6.442 -0.282 1.00 0.00 C ATOM 70 C VAL A 27 14.977 7.606 0.512 1.00 0.00 C ATOM 71 O VAL A 27 14.476 7.963 1.575 1.00 0.00 O ATOM 72 CB VAL A 27 14.023 6.863 -1.746 1.00 0.00 C ATOM 73 CG1 VAL A 27 14.438 5.783 -2.743 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.547 7.171 -2.038 1.00 0.00 C ATOM 0 H VAL A 27 12.306 6.320 0.096 1.00 0.00 H new ATOM 0 HA VAL A 27 15.103 5.650 -0.333 1.00 0.00 H new ATOM 0 HB VAL A 27 14.589 7.787 -1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.192 6.107 -3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 27 15.512 5.612 -2.668 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.907 4.858 -2.520 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.434 7.452 -3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.943 6.287 -1.833 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.214 7.993 -1.404 1.00 0.00 H new ATOM 84 N ARG A 28 16.151 8.085 0.063 1.00 0.00 N ATOM 85 CA ARG A 28 16.896 9.303 0.451 1.00 0.00 C ATOM 86 C ARG A 28 17.951 9.599 -0.651 1.00 0.00 C ATOM 87 O ARG A 28 18.519 8.638 -1.174 1.00 0.00 O ATOM 88 CB ARG A 28 17.585 9.116 1.825 1.00 0.00 C ATOM 89 CG ARG A 28 18.403 10.357 2.238 1.00 0.00 C ATOM 90 CD ARG A 28 18.943 10.311 3.668 1.00 0.00 C ATOM 91 NE ARG A 28 19.993 9.285 3.841 1.00 0.00 N ATOM 92 CZ ARG A 28 20.612 8.976 4.968 1.00 0.00 C ATOM 93 NH1 ARG A 28 20.337 9.570 6.096 1.00 0.00 N ATOM 94 NH2 ARG A 28 21.533 8.055 4.985 1.00 0.00 N ATOM 0 H ARG A 28 16.659 7.574 -0.660 1.00 0.00 H new ATOM 0 HA ARG A 28 16.206 10.141 0.544 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.830 8.911 2.584 1.00 0.00 H new ATOM 0 HB3 ARG A 28 18.241 8.247 1.786 1.00 0.00 H new ATOM 0 HG2 ARG A 28 19.241 10.470 1.550 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.777 11.243 2.127 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.347 11.288 3.933 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.123 10.108 4.357 1.00 0.00 H new ATOM 0 HE ARG A 28 20.267 8.764 3.008 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.624 10.299 6.128 1.00 0.00 H new ATOM 0 HH12 ARG A 28 20.835 9.306 6.946 1.00 0.00 H new ATOM 0 HH21 ARG A 28 21.781 7.566 4.125 1.00 0.00 H new ATOM 0 HH22 ARG A 28 22.006 7.823 5.858 1.00 0.00 H new ATOM 108 N PRO A 29 18.248 10.869 -1.007 1.00 0.00 N ATOM 109 CA PRO A 29 19.204 11.218 -2.066 1.00 0.00 C ATOM 110 C PRO A 29 20.573 11.687 -1.539 1.00 0.00 C ATOM 111 O PRO A 29 20.742 11.992 -0.356 1.00 0.00 O ATOM 112 CB PRO A 29 18.532 12.363 -2.841 1.00 0.00 C ATOM 113 CG PRO A 29 17.436 12.894 -1.915 1.00 0.00 C ATOM 114 CD PRO A 29 17.567 12.094 -0.622 1.00 0.00 C ATOM 0 HA PRO A 29 19.420 10.338 -2.672 1.00 0.00 H new ATOM 0 HB2 PRO A 29 19.250 13.145 -3.088 1.00 0.00 H new ATOM 0 HB3 PRO A 29 18.113 12.007 -3.782 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.562 13.961 -1.730 1.00 0.00 H new ATOM 0 HG3 PRO A 29 16.450 12.762 -2.359 1.00 0.00 H new ATOM 0 HD2 PRO A 29 18.137 12.644 0.127 1.00 0.00 H new ATOM 0 HD3 PRO A 29 16.590 11.883 -0.187 1.00 0.00 H new ATOM 122 N LYS A 30 21.541 11.802 -2.459 1.00 0.00 N ATOM 123 CA LYS A 30 22.835 12.474 -2.227 1.00 0.00 C ATOM 124 C LYS A 30 22.703 13.974 -2.527 1.00 0.00 C ATOM 125 O LYS A 30 21.757 14.383 -3.200 1.00 0.00 O ATOM 126 CB LYS A 30 23.968 11.773 -3.005 1.00 0.00 C ATOM 127 CG LYS A 30 23.819 11.839 -4.536 1.00 0.00 C ATOM 128 CD LYS A 30 24.994 11.187 -5.284 1.00 0.00 C ATOM 129 CE LYS A 30 26.325 11.932 -5.076 1.00 0.00 C ATOM 130 NZ LYS A 30 27.434 11.290 -5.837 1.00 0.00 N ATOM 0 H LYS A 30 21.449 11.425 -3.402 1.00 0.00 H new ATOM 0 HA LYS A 30 23.115 12.391 -1.177 1.00 0.00 H new ATOM 0 HB2 LYS A 30 24.919 12.225 -2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 30 24.009 10.727 -2.700 1.00 0.00 H new ATOM 0 HG2 LYS A 30 22.892 11.345 -4.827 1.00 0.00 H new ATOM 0 HG3 LYS A 30 23.734 12.882 -4.842 1.00 0.00 H new ATOM 0 HD2 LYS A 30 25.104 10.156 -4.948 1.00 0.00 H new ATOM 0 HD3 LYS A 30 24.766 11.153 -6.349 1.00 0.00 H new ATOM 0 HE2 LYS A 30 26.217 12.969 -5.394 1.00 0.00 H new ATOM 0 HE3 LYS A 30 26.572 11.948 -4.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 28.316 11.816 -5.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 27.553 10.308 -5.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 27.208 11.297 -6.852 1.00 0.00 H new ATOM 144 N LEU A 31 23.659 14.788 -2.080 1.00 0.00 N ATOM 145 CA LEU A 31 23.633 16.260 -2.128 1.00 0.00 C ATOM 146 C LEU A 31 23.115 16.873 -3.456 1.00 0.00 C ATOM 147 O LEU A 31 22.125 17.605 -3.404 1.00 0.00 O ATOM 148 CB LEU A 31 25.038 16.747 -1.710 1.00 0.00 C ATOM 149 CG LEU A 31 25.282 18.259 -1.843 1.00 0.00 C ATOM 150 CD1 LEU A 31 24.340 19.085 -0.964 1.00 0.00 C ATOM 151 CD2 LEU A 31 26.721 18.589 -1.446 1.00 0.00 C ATOM 0 H LEU A 31 24.514 14.429 -1.654 1.00 0.00 H new ATOM 0 HA LEU A 31 22.882 16.626 -1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 31 25.209 16.459 -0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 31 25.779 16.223 -2.313 1.00 0.00 H new ATOM 0 HG LEU A 31 25.093 18.517 -2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 31 24.555 20.145 -1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 31 23.307 18.886 -1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 31 24.486 18.813 0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 31 26.888 19.662 -1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 31 26.892 18.286 -0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 31 27.410 18.054 -2.099 1.00 0.00 H new ATOM 163 N PRO A 32 23.682 16.572 -4.646 1.00 0.00 N ATOM 164 CA PRO A 32 23.208 17.155 -5.910 1.00 0.00 C ATOM 165 C PRO A 32 21.807 16.681 -6.325 1.00 0.00 C ATOM 166 O PRO A 32 21.088 17.423 -6.989 1.00 0.00 O ATOM 167 CB PRO A 32 24.262 16.769 -6.952 1.00 0.00 C ATOM 168 CG PRO A 32 24.884 15.494 -6.390 1.00 0.00 C ATOM 169 CD PRO A 32 24.877 15.772 -4.889 1.00 0.00 C ATOM 0 HA PRO A 32 23.097 18.234 -5.807 1.00 0.00 H new ATOM 0 HB2 PRO A 32 23.813 16.597 -7.930 1.00 0.00 H new ATOM 0 HB3 PRO A 32 25.007 17.555 -7.077 1.00 0.00 H new ATOM 0 HG2 PRO A 32 24.300 14.609 -6.644 1.00 0.00 H new ATOM 0 HG3 PRO A 32 25.892 15.330 -6.770 1.00 0.00 H new ATOM 0 HD2 PRO A 32 24.851 14.844 -4.318 1.00 0.00 H new ATOM 0 HD3 PRO A 32 25.776 16.308 -4.585 1.00 0.00 H new ATOM 177 N LEU A 33 21.377 15.483 -5.909 1.00 0.00 N ATOM 178 CA LEU A 33 20.035 14.961 -6.207 1.00 0.00 C ATOM 179 C LEU A 33 18.965 15.530 -5.259 1.00 0.00 C ATOM 180 O LEU A 33 17.853 15.841 -5.682 1.00 0.00 O ATOM 181 CB LEU A 33 20.064 13.421 -6.222 1.00 0.00 C ATOM 182 CG LEU A 33 21.034 12.785 -7.240 1.00 0.00 C ATOM 183 CD1 LEU A 33 20.803 11.275 -7.285 1.00 0.00 C ATOM 184 CD2 LEU A 33 20.876 13.337 -8.658 1.00 0.00 C ATOM 0 H LEU A 33 21.950 14.846 -5.355 1.00 0.00 H new ATOM 0 HA LEU A 33 19.745 15.299 -7.202 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.330 13.070 -5.225 1.00 0.00 H new ATOM 0 HB3 LEU A 33 19.057 13.058 -6.430 1.00 0.00 H new ATOM 0 HG LEU A 33 22.041 13.030 -6.902 1.00 0.00 H new ATOM 0 HD11 LEU A 33 21.487 10.824 -8.004 1.00 0.00 H new ATOM 0 HD12 LEU A 33 20.982 10.850 -6.297 1.00 0.00 H new ATOM 0 HD13 LEU A 33 19.775 11.073 -7.586 1.00 0.00 H new ATOM 0 HD21 LEU A 33 21.588 12.846 -9.321 1.00 0.00 H new ATOM 0 HD22 LEU A 33 19.862 13.148 -9.011 1.00 0.00 H new ATOM 0 HD23 LEU A 33 21.065 14.411 -8.654 1.00 0.00 H new ATOM 196 N LEU A 34 19.327 15.768 -3.995 1.00 0.00 N ATOM 197 CA LEU A 34 18.515 16.502 -3.014 1.00 0.00 C ATOM 198 C LEU A 34 18.325 17.967 -3.442 1.00 0.00 C ATOM 199 O LEU A 34 17.246 18.515 -3.237 1.00 0.00 O ATOM 200 CB LEU A 34 19.225 16.325 -1.648 1.00 0.00 C ATOM 201 CG LEU A 34 18.553 16.957 -0.409 1.00 0.00 C ATOM 202 CD1 LEU A 34 18.872 16.137 0.842 1.00 0.00 C ATOM 203 CD2 LEU A 34 19.072 18.377 -0.166 1.00 0.00 C ATOM 0 H LEU A 34 20.217 15.448 -3.613 1.00 0.00 H new ATOM 0 HA LEU A 34 17.499 16.114 -2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 34 19.336 15.257 -1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 34 20.229 16.740 -1.734 1.00 0.00 H new ATOM 0 HG LEU A 34 17.480 16.977 -0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.392 16.593 1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.500 15.120 0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 34 19.951 16.112 0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.582 18.798 0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 34 20.149 18.348 -0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.855 18.998 -1.035 1.00 0.00 H new ATOM 215 N LYS A 35 19.312 18.564 -4.128 1.00 0.00 N ATOM 216 CA LYS A 35 19.256 19.926 -4.699 1.00 0.00 C ATOM 217 C LYS A 35 18.104 20.107 -5.699 1.00 0.00 C ATOM 218 O LYS A 35 17.387 21.107 -5.658 1.00 0.00 O ATOM 219 CB LYS A 35 20.612 20.217 -5.380 1.00 0.00 C ATOM 220 CG LYS A 35 21.087 21.668 -5.266 1.00 0.00 C ATOM 221 CD LYS A 35 21.486 22.030 -3.826 1.00 0.00 C ATOM 222 CE LYS A 35 22.388 23.270 -3.849 1.00 0.00 C ATOM 223 NZ LYS A 35 22.744 23.728 -2.478 1.00 0.00 N ATOM 0 H LYS A 35 20.202 18.100 -4.308 1.00 0.00 H new ATOM 0 HA LYS A 35 19.066 20.632 -3.890 1.00 0.00 H new ATOM 0 HB2 LYS A 35 21.369 19.566 -4.944 1.00 0.00 H new ATOM 0 HB3 LYS A 35 20.537 19.956 -6.435 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.938 21.824 -5.929 1.00 0.00 H new ATOM 0 HG3 LYS A 35 20.295 22.337 -5.602 1.00 0.00 H new ATOM 0 HD2 LYS A 35 20.596 22.224 -3.227 1.00 0.00 H new ATOM 0 HD3 LYS A 35 22.008 21.194 -3.360 1.00 0.00 H new ATOM 0 HE2 LYS A 35 23.299 23.045 -4.404 1.00 0.00 H new ATOM 0 HE3 LYS A 35 21.882 24.076 -4.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 23.354 24.568 -2.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.877 23.968 -1.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.250 22.969 -1.979 1.00 0.00 H new ATOM 237 N ILE A 36 17.890 19.100 -6.550 1.00 0.00 N ATOM 238 CA ILE A 36 16.840 19.071 -7.586 1.00 0.00 C ATOM 239 C ILE A 36 15.459 19.148 -6.930 1.00 0.00 C ATOM 240 O ILE A 36 14.652 20.007 -7.269 1.00 0.00 O ATOM 241 CB ILE A 36 16.980 17.795 -8.455 1.00 0.00 C ATOM 242 CG1 ILE A 36 18.355 17.762 -9.155 1.00 0.00 C ATOM 243 CG2 ILE A 36 15.868 17.673 -9.514 1.00 0.00 C ATOM 244 CD1 ILE A 36 18.722 16.369 -9.675 1.00 0.00 C ATOM 0 H ILE A 36 18.458 18.253 -6.541 1.00 0.00 H new ATOM 0 HA ILE A 36 16.955 19.935 -8.240 1.00 0.00 H new ATOM 0 HB ILE A 36 16.888 16.948 -7.775 1.00 0.00 H new ATOM 0 HG12 ILE A 36 18.351 18.466 -9.987 1.00 0.00 H new ATOM 0 HG13 ILE A 36 19.121 18.098 -8.457 1.00 0.00 H new ATOM 0 HG21 ILE A 36 16.016 16.762 -10.093 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.897 17.635 -9.020 1.00 0.00 H new ATOM 0 HG23 ILE A 36 15.903 18.536 -10.179 1.00 0.00 H new ATOM 0 HD11 ILE A 36 19.699 16.406 -10.158 1.00 0.00 H new ATOM 0 HD12 ILE A 36 18.756 15.667 -8.842 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.973 16.041 -10.396 1.00 0.00 H new ATOM 256 N LEU A 37 15.195 18.286 -5.946 1.00 0.00 N ATOM 257 CA LEU A 37 13.929 18.295 -5.208 1.00 0.00 C ATOM 258 C LEU A 37 13.792 19.518 -4.272 1.00 0.00 C ATOM 259 O LEU A 37 12.693 20.051 -4.125 1.00 0.00 O ATOM 260 CB LEU A 37 13.667 16.870 -4.661 1.00 0.00 C ATOM 261 CG LEU A 37 13.117 15.990 -5.815 1.00 0.00 C ATOM 262 CD1 LEU A 37 13.387 14.504 -5.622 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.606 16.162 -5.989 1.00 0.00 C ATOM 0 H LEU A 37 15.848 17.565 -5.639 1.00 0.00 H new ATOM 0 HA LEU A 37 13.071 18.487 -5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.588 16.442 -4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.952 16.906 -3.839 1.00 0.00 H new ATOM 0 HG LEU A 37 13.650 16.337 -6.700 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.976 13.947 -6.464 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.462 14.334 -5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.916 14.166 -4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.260 15.530 -6.806 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.099 15.875 -5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.382 17.204 -6.217 1.00 0.00 H new ATOM 275 N HIS A 38 14.890 20.058 -3.728 1.00 0.00 N ATOM 276 CA HIS A 38 14.901 21.352 -3.014 1.00 0.00 C ATOM 277 C HIS A 38 14.480 22.523 -3.917 1.00 0.00 C ATOM 278 O HIS A 38 13.782 23.421 -3.443 1.00 0.00 O ATOM 279 CB HIS A 38 16.290 21.633 -2.412 1.00 0.00 C ATOM 280 CG HIS A 38 16.424 21.268 -0.954 1.00 0.00 C ATOM 281 ND1 HIS A 38 16.979 22.093 0.029 1.00 0.00 N ATOM 282 CD2 HIS A 38 16.009 20.104 -0.374 1.00 0.00 C ATOM 283 CE1 HIS A 38 16.883 21.409 1.181 1.00 0.00 C ATOM 284 NE2 HIS A 38 16.304 20.214 0.970 1.00 0.00 N ATOM 0 H HIS A 38 15.805 19.610 -3.768 1.00 0.00 H new ATOM 0 HA HIS A 38 14.168 21.271 -2.212 1.00 0.00 H new ATOM 0 HB2 HIS A 38 17.038 21.082 -2.982 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.516 22.693 -2.531 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.543 19.264 -0.868 1.00 0.00 H new ATOM 0 HE1 HIS A 38 17.223 21.768 2.141 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.115 19.509 1.682 1.00 0.00 H new ATOM 292 N ALA A 39 14.807 22.498 -5.218 1.00 0.00 N ATOM 293 CA ALA A 39 14.309 23.495 -6.181 1.00 0.00 C ATOM 294 C ALA A 39 12.766 23.519 -6.295 1.00 0.00 C ATOM 295 O ALA A 39 12.192 24.538 -6.684 1.00 0.00 O ATOM 296 CB ALA A 39 14.943 23.256 -7.559 1.00 0.00 C ATOM 0 H ALA A 39 15.418 21.793 -5.631 1.00 0.00 H new ATOM 0 HA ALA A 39 14.604 24.473 -5.801 1.00 0.00 H new ATOM 0 HB1 ALA A 39 14.569 23.998 -8.265 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.027 23.343 -7.481 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.684 22.257 -7.911 1.00 0.00 H new ATOM 302 N ALA A 40 12.098 22.420 -5.917 1.00 0.00 N ATOM 303 CA ALA A 40 10.643 22.290 -5.813 1.00 0.00 C ATOM 304 C ALA A 40 10.129 22.276 -4.353 1.00 0.00 C ATOM 305 O ALA A 40 9.052 21.742 -4.074 1.00 0.00 O ATOM 306 CB ALA A 40 10.212 21.068 -6.627 1.00 0.00 C ATOM 0 H ALA A 40 12.583 21.559 -5.664 1.00 0.00 H new ATOM 0 HA ALA A 40 10.173 23.179 -6.234 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.130 20.952 -6.564 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.502 21.204 -7.669 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.697 20.176 -6.229 1.00 0.00 H new ATOM 312 N GLY A 41 10.896 22.841 -3.411 1.00 0.00 N ATOM 313 CA GLY A 41 10.493 23.037 -2.011 1.00 0.00 C ATOM 314 C GLY A 41 10.459 21.769 -1.144 1.00 0.00 C ATOM 315 O GLY A 41 9.865 21.789 -0.063 1.00 0.00 O ATOM 0 H GLY A 41 11.837 23.183 -3.606 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.177 23.751 -1.552 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.502 23.491 -1.997 1.00 0.00 H new ATOM 319 N ALA A 42 11.057 20.665 -1.607 1.00 0.00 N ATOM 320 CA ALA A 42 11.046 19.375 -0.929 1.00 0.00 C ATOM 321 C ALA A 42 12.126 19.254 0.169 1.00 0.00 C ATOM 322 O ALA A 42 12.834 20.205 0.506 1.00 0.00 O ATOM 323 CB ALA A 42 11.253 18.303 -2.007 1.00 0.00 C ATOM 0 H ALA A 42 11.574 20.650 -2.486 1.00 0.00 H new ATOM 0 HA ALA A 42 10.094 19.253 -0.412 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.252 17.316 -1.544 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.447 18.362 -2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.208 18.468 -2.506 1.00 0.00 H new ATOM 329 N GLN A 43 12.292 18.022 0.660 1.00 0.00 N ATOM 330 CA GLN A 43 13.379 17.566 1.548 1.00 0.00 C ATOM 331 C GLN A 43 14.135 16.370 0.923 1.00 0.00 C ATOM 332 O GLN A 43 14.395 15.350 1.563 1.00 0.00 O ATOM 333 CB GLN A 43 12.841 17.294 2.966 1.00 0.00 C ATOM 334 CG GLN A 43 12.246 18.546 3.633 1.00 0.00 C ATOM 335 CD GLN A 43 11.813 18.268 5.072 1.00 0.00 C ATOM 336 OE1 GLN A 43 12.517 18.561 6.031 1.00 0.00 O ATOM 337 NE2 GLN A 43 10.650 17.686 5.287 1.00 0.00 N ATOM 0 H GLN A 43 11.638 17.271 0.440 1.00 0.00 H new ATOM 0 HA GLN A 43 14.118 18.360 1.654 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.077 16.518 2.916 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.649 16.907 3.587 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.983 19.349 3.623 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.389 18.893 3.056 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.052 17.436 4.500 1.00 0.00 H new ATOM 0 HE22 GLN A 43 10.348 17.486 6.241 1.00 0.00 H new ATOM 346 N GLY A 44 14.444 16.479 -0.374 1.00 0.00 N ATOM 347 CA GLY A 44 15.101 15.443 -1.169 1.00 0.00 C ATOM 348 C GLY A 44 14.140 14.339 -1.606 1.00 0.00 C ATOM 349 O GLY A 44 13.229 14.583 -2.382 1.00 0.00 O ATOM 0 H GLY A 44 14.236 17.319 -0.914 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.551 15.898 -2.051 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.912 15.004 -0.588 1.00 0.00 H new ATOM 353 N GLU A 45 14.372 13.123 -1.115 1.00 0.00 N ATOM 354 CA GLU A 45 13.581 11.902 -1.369 1.00 0.00 C ATOM 355 C GLU A 45 13.426 11.076 -0.083 1.00 0.00 C ATOM 356 O GLU A 45 13.131 9.890 -0.145 1.00 0.00 O ATOM 357 CB GLU A 45 14.201 11.031 -2.483 1.00 0.00 C ATOM 358 CG GLU A 45 14.161 11.662 -3.872 1.00 0.00 C ATOM 359 CD GLU A 45 14.714 10.671 -4.914 1.00 0.00 C ATOM 360 OE1 GLU A 45 13.937 9.824 -5.416 1.00 0.00 O ATOM 361 OE2 GLU A 45 15.931 10.725 -5.220 1.00 0.00 O ATOM 0 H GLU A 45 15.160 12.944 -0.493 1.00 0.00 H new ATOM 0 HA GLU A 45 12.597 12.226 -1.707 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.238 10.816 -2.225 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.676 10.076 -2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.138 11.937 -4.127 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.750 12.579 -3.881 1.00 0.00 H new ATOM 368 N MET A 46 13.701 11.671 1.085 1.00 0.00 N ATOM 369 CA MET A 46 13.781 10.996 2.396 1.00 0.00 C ATOM 370 C MET A 46 12.394 10.674 2.987 1.00 0.00 C ATOM 371 O MET A 46 12.042 11.066 4.102 1.00 0.00 O ATOM 372 CB MET A 46 14.731 11.789 3.285 1.00 0.00 C ATOM 373 CG MET A 46 15.125 11.086 4.592 1.00 0.00 C ATOM 374 SD MET A 46 16.346 11.983 5.594 1.00 0.00 S ATOM 375 CE MET A 46 15.353 13.396 6.151 1.00 0.00 C ATOM 0 H MET A 46 13.881 12.673 1.150 1.00 0.00 H new ATOM 0 HA MET A 46 14.209 9.999 2.293 1.00 0.00 H new ATOM 0 HB2 MET A 46 15.637 12.009 2.720 1.00 0.00 H new ATOM 0 HB3 MET A 46 14.266 12.745 3.528 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.227 10.930 5.190 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.524 10.100 4.353 1.00 0.00 H new ATOM 0 HE1 MET A 46 15.922 13.977 6.877 1.00 0.00 H new ATOM 0 HE2 MET A 46 15.105 14.026 5.297 1.00 0.00 H new ATOM 0 HE3 MET A 46 14.435 13.035 6.614 1.00 0.00 H new ATOM 385 N PHE A 47 11.582 10.007 2.168 1.00 0.00 N ATOM 386 CA PHE A 47 10.147 9.765 2.366 1.00 0.00 C ATOM 387 C PHE A 47 9.560 8.785 1.329 1.00 0.00 C ATOM 388 O PHE A 47 10.225 8.391 0.371 1.00 0.00 O ATOM 389 CB PHE A 47 9.401 11.112 2.337 1.00 0.00 C ATOM 390 CG PHE A 47 9.914 12.134 1.341 1.00 0.00 C ATOM 391 CD1 PHE A 47 9.769 11.918 -0.041 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.573 13.289 1.804 1.00 0.00 C ATOM 393 CE1 PHE A 47 10.233 12.884 -0.950 1.00 0.00 C ATOM 394 CE2 PHE A 47 11.048 14.243 0.889 1.00 0.00 C ATOM 395 CZ PHE A 47 10.850 14.052 -0.484 1.00 0.00 C ATOM 0 H PHE A 47 11.923 9.597 1.299 1.00 0.00 H new ATOM 0 HA PHE A 47 10.015 9.289 3.338 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.350 10.918 2.121 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.445 11.551 3.334 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.303 11.013 -0.402 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.713 13.442 2.864 1.00 0.00 H new ATOM 0 HE1 PHE A 47 10.113 12.725 -2.012 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.565 15.122 1.244 1.00 0.00 H new ATOM 0 HZ PHE A 47 11.174 14.807 -1.185 1.00 0.00 H new ATOM 405 N THR A 48 8.307 8.371 1.537 1.00 0.00 N ATOM 406 CA THR A 48 7.577 7.353 0.755 1.00 0.00 C ATOM 407 C THR A 48 7.323 7.803 -0.688 1.00 0.00 C ATOM 408 O THR A 48 7.399 8.982 -1.035 1.00 0.00 O ATOM 409 CB THR A 48 6.229 7.029 1.448 1.00 0.00 C ATOM 410 OG1 THR A 48 6.381 7.079 2.855 1.00 0.00 O ATOM 411 CG2 THR A 48 5.612 5.657 1.151 1.00 0.00 C ATOM 0 H THR A 48 7.739 8.753 2.293 1.00 0.00 H new ATOM 0 HA THR A 48 8.201 6.460 0.714 1.00 0.00 H new ATOM 0 HB THR A 48 5.560 7.786 1.038 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.524 6.875 3.284 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.673 5.555 1.695 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.423 5.567 0.081 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.301 4.873 1.465 1.00 0.00 H new ATOM 419 N VAL A 49 6.943 6.855 -1.545 1.00 0.00 N ATOM 420 CA VAL A 49 6.788 7.065 -2.999 1.00 0.00 C ATOM 421 C VAL A 49 5.698 8.090 -3.322 1.00 0.00 C ATOM 422 O VAL A 49 5.884 8.955 -4.178 1.00 0.00 O ATOM 423 CB VAL A 49 6.544 5.720 -3.713 1.00 0.00 C ATOM 424 CG1 VAL A 49 6.253 5.895 -5.206 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.794 4.849 -3.543 1.00 0.00 C ATOM 0 H VAL A 49 6.729 5.902 -1.252 1.00 0.00 H new ATOM 0 HA VAL A 49 7.720 7.485 -3.377 1.00 0.00 H new ATOM 0 HB VAL A 49 5.668 5.252 -3.264 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.089 4.918 -5.662 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.362 6.509 -5.333 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.101 6.382 -5.687 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.641 3.892 -4.042 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.653 5.355 -3.984 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.978 4.680 -2.482 1.00 0.00 H new ATOM 435 N LYS A 50 4.603 8.071 -2.556 1.00 0.00 N ATOM 436 CA LYS A 50 3.534 9.077 -2.664 1.00 0.00 C ATOM 437 C LYS A 50 4.018 10.504 -2.386 1.00 0.00 C ATOM 438 O LYS A 50 3.492 11.451 -2.965 1.00 0.00 O ATOM 439 CB LYS A 50 2.322 8.677 -1.800 1.00 0.00 C ATOM 440 CG LYS A 50 2.626 8.615 -0.292 1.00 0.00 C ATOM 441 CD LYS A 50 1.386 8.213 0.518 1.00 0.00 C ATOM 442 CE LYS A 50 1.753 8.093 2.004 1.00 0.00 C ATOM 443 NZ LYS A 50 0.558 7.795 2.842 1.00 0.00 N ATOM 0 H LYS A 50 4.430 7.361 -1.844 1.00 0.00 H new ATOM 0 HA LYS A 50 3.208 9.092 -3.704 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.516 9.391 -1.969 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.960 7.703 -2.128 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.428 7.899 -0.111 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.984 9.587 0.048 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.598 8.955 0.387 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.994 7.264 0.153 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.495 7.305 2.134 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.213 9.022 2.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.843 7.721 3.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.139 8.560 2.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.134 6.896 2.535 1.00 0.00 H new ATOM 457 N GLU A 51 5.037 10.659 -1.538 1.00 0.00 N ATOM 458 CA GLU A 51 5.683 11.947 -1.279 1.00 0.00 C ATOM 459 C GLU A 51 6.697 12.302 -2.382 1.00 0.00 C ATOM 460 O GLU A 51 6.639 13.423 -2.885 1.00 0.00 O ATOM 461 CB GLU A 51 6.279 11.969 0.141 1.00 0.00 C ATOM 462 CG GLU A 51 5.199 11.715 1.206 1.00 0.00 C ATOM 463 CD GLU A 51 5.711 11.972 2.637 1.00 0.00 C ATOM 464 OE1 GLU A 51 5.825 13.154 3.045 1.00 0.00 O ATOM 465 OE2 GLU A 51 5.954 10.992 3.383 1.00 0.00 O ATOM 0 H GLU A 51 5.440 9.887 -1.007 1.00 0.00 H new ATOM 0 HA GLU A 51 4.932 12.736 -1.315 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.058 11.211 0.222 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.753 12.934 0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.341 12.358 1.009 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.851 10.685 1.127 1.00 0.00 H new ATOM 472 N VAL A 52 7.544 11.368 -2.861 1.00 0.00 N ATOM 473 CA VAL A 52 8.471 11.665 -3.991 1.00 0.00 C ATOM 474 C VAL A 52 7.756 12.190 -5.223 1.00 0.00 C ATOM 475 O VAL A 52 8.103 13.228 -5.782 1.00 0.00 O ATOM 476 CB VAL A 52 9.420 10.523 -4.402 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.151 9.881 -3.220 1.00 0.00 C ATOM 478 CG2 VAL A 52 8.949 9.411 -5.349 1.00 0.00 C ATOM 0 H VAL A 52 7.611 10.418 -2.497 1.00 0.00 H new ATOM 0 HA VAL A 52 9.099 12.449 -3.568 1.00 0.00 H new ATOM 0 HB VAL A 52 10.082 11.121 -5.029 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.801 9.085 -3.583 1.00 0.00 H new ATOM 0 HG12 VAL A 52 10.750 10.635 -2.710 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.422 9.465 -2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.763 8.705 -5.514 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.101 8.890 -4.905 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.648 9.847 -6.302 1.00 0.00 H new ATOM 488 N MET A 53 6.720 11.465 -5.609 1.00 0.00 N ATOM 489 CA MET A 53 5.913 11.776 -6.794 1.00 0.00 C ATOM 490 C MET A 53 5.082 13.066 -6.637 1.00 0.00 C ATOM 491 O MET A 53 4.777 13.715 -7.633 1.00 0.00 O ATOM 492 CB MET A 53 5.082 10.559 -7.219 1.00 0.00 C ATOM 493 CG MET A 53 3.806 10.353 -6.398 1.00 0.00 C ATOM 494 SD MET A 53 2.917 8.816 -6.773 1.00 0.00 S ATOM 495 CE MET A 53 2.496 9.105 -8.516 1.00 0.00 C ATOM 0 H MET A 53 6.406 10.634 -5.109 1.00 0.00 H new ATOM 0 HA MET A 53 6.599 11.995 -7.612 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.811 10.667 -8.269 1.00 0.00 H new ATOM 0 HB3 MET A 53 5.700 9.665 -7.139 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.064 10.361 -5.339 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.138 11.197 -6.569 1.00 0.00 H new ATOM 0 HE1 MET A 53 1.770 8.361 -8.843 1.00 0.00 H new ATOM 0 HE2 MET A 53 2.069 10.102 -8.627 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.396 9.026 -9.126 1.00 0.00 H new ATOM 505 N HIS A 54 4.773 13.478 -5.401 1.00 0.00 N ATOM 506 CA HIS A 54 4.154 14.772 -5.073 1.00 0.00 C ATOM 507 C HIS A 54 5.126 15.936 -5.349 1.00 0.00 C ATOM 508 O HIS A 54 4.852 16.779 -6.207 1.00 0.00 O ATOM 509 CB HIS A 54 3.648 14.728 -3.616 1.00 0.00 C ATOM 510 CG HIS A 54 3.719 16.042 -2.883 1.00 0.00 C ATOM 511 ND1 HIS A 54 3.016 17.201 -3.215 1.00 0.00 N ATOM 512 CD2 HIS A 54 4.599 16.323 -1.878 1.00 0.00 C ATOM 513 CE1 HIS A 54 3.498 18.157 -2.402 1.00 0.00 C ATOM 514 NE2 HIS A 54 4.440 17.657 -1.584 1.00 0.00 N ATOM 0 H HIS A 54 4.951 12.905 -4.576 1.00 0.00 H new ATOM 0 HA HIS A 54 3.294 14.954 -5.718 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.614 14.383 -3.616 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.231 13.989 -3.066 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.284 15.634 -1.407 1.00 0.00 H new ATOM 0 HE1 HIS A 54 3.173 19.187 -2.406 1.00 0.00 H new ATOM 0 HE2 HIS A 54 4.949 18.177 -0.869 1.00 0.00 H new ATOM 522 N TYR A 55 6.297 15.943 -4.698 1.00 0.00 N ATOM 523 CA TYR A 55 7.366 16.916 -4.939 1.00 0.00 C ATOM 524 C TYR A 55 7.825 16.959 -6.410 1.00 0.00 C ATOM 525 O TYR A 55 8.079 18.039 -6.944 1.00 0.00 O ATOM 526 CB TYR A 55 8.547 16.606 -4.013 1.00 0.00 C ATOM 527 CG TYR A 55 8.248 16.750 -2.530 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.936 18.010 -1.986 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.318 15.631 -1.685 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.668 18.149 -0.610 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.059 15.761 -0.307 1.00 0.00 C ATOM 532 CZ TYR A 55 7.731 17.021 0.237 1.00 0.00 C ATOM 533 OH TYR A 55 7.497 17.145 1.573 1.00 0.00 O ATOM 0 H TYR A 55 6.530 15.260 -3.977 1.00 0.00 H new ATOM 0 HA TYR A 55 6.966 17.906 -4.720 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.883 15.587 -4.204 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.375 17.268 -4.269 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.902 18.877 -2.629 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.572 14.664 -2.094 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.415 19.117 -0.204 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.112 14.894 0.335 1.00 0.00 H new ATOM 0 HH TYR A 55 7.581 16.268 2.003 1.00 0.00 H new ATOM 543 N LEU A 56 7.870 15.813 -7.097 1.00 0.00 N ATOM 544 CA LEU A 56 8.166 15.729 -8.532 1.00 0.00 C ATOM 545 C LEU A 56 7.031 16.296 -9.408 1.00 0.00 C ATOM 546 O LEU A 56 7.301 17.058 -10.335 1.00 0.00 O ATOM 547 CB LEU A 56 8.494 14.264 -8.858 1.00 0.00 C ATOM 548 CG LEU A 56 8.751 13.957 -10.342 1.00 0.00 C ATOM 549 CD1 LEU A 56 9.850 14.818 -10.955 1.00 0.00 C ATOM 550 CD2 LEU A 56 9.178 12.497 -10.477 1.00 0.00 C ATOM 0 H LEU A 56 7.699 14.904 -6.666 1.00 0.00 H new ATOM 0 HA LEU A 56 9.026 16.357 -8.766 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.375 13.972 -8.287 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.669 13.640 -8.514 1.00 0.00 H new ATOM 0 HG LEU A 56 7.822 14.171 -10.871 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.980 14.550 -12.003 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.572 15.869 -10.881 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.784 14.651 -10.419 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.363 12.268 -11.526 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.089 12.330 -9.903 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.387 11.850 -10.098 1.00 0.00 H new ATOM 562 N GLY A 57 5.766 16.004 -9.093 1.00 0.00 N ATOM 563 CA GLY A 57 4.610 16.600 -9.771 1.00 0.00 C ATOM 564 C GLY A 57 4.650 18.131 -9.725 1.00 0.00 C ATOM 565 O GLY A 57 4.565 18.786 -10.766 1.00 0.00 O ATOM 0 H GLY A 57 5.513 15.344 -8.357 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.587 16.268 -10.809 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.692 16.246 -9.302 1.00 0.00 H new ATOM 569 N GLN A 58 4.911 18.716 -8.548 1.00 0.00 N ATOM 570 CA GLN A 58 5.071 20.171 -8.421 1.00 0.00 C ATOM 571 C GLN A 58 6.374 20.705 -9.050 1.00 0.00 C ATOM 572 O GLN A 58 6.346 21.803 -9.598 1.00 0.00 O ATOM 573 CB GLN A 58 4.787 20.662 -6.991 1.00 0.00 C ATOM 574 CG GLN A 58 5.868 20.320 -5.959 1.00 0.00 C ATOM 575 CD GLN A 58 5.470 20.640 -4.515 1.00 0.00 C ATOM 576 OE1 GLN A 58 4.311 20.832 -4.166 1.00 0.00 O ATOM 577 NE2 GLN A 58 6.416 20.692 -3.601 1.00 0.00 N ATOM 0 H GLN A 58 5.016 18.205 -7.672 1.00 0.00 H new ATOM 0 HA GLN A 58 4.294 20.629 -9.034 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.658 21.744 -7.014 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.841 20.235 -6.658 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.105 19.259 -6.034 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.778 20.868 -6.205 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.389 20.536 -3.865 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.176 20.888 -2.629 1.00 0.00 H new ATOM 586 N TYR A 59 7.485 19.951 -9.071 1.00 0.00 N ATOM 587 CA TYR A 59 8.690 20.313 -9.846 1.00 0.00 C ATOM 588 C TYR A 59 8.348 20.532 -11.329 1.00 0.00 C ATOM 589 O TYR A 59 8.664 21.582 -11.889 1.00 0.00 O ATOM 590 CB TYR A 59 9.778 19.228 -9.691 1.00 0.00 C ATOM 591 CG TYR A 59 11.097 19.495 -10.404 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.214 19.269 -11.793 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.230 19.905 -9.674 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.450 19.452 -12.444 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.464 20.098 -10.324 1.00 0.00 C ATOM 596 CZ TYR A 59 13.579 19.854 -11.707 1.00 0.00 C ATOM 597 OH TYR A 59 14.768 20.036 -12.343 1.00 0.00 O ATOM 0 H TYR A 59 7.576 19.076 -8.555 1.00 0.00 H new ATOM 0 HA TYR A 59 9.079 21.251 -9.450 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.983 19.097 -8.628 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.375 18.284 -10.057 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.350 18.954 -12.360 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.152 20.072 -8.610 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.531 19.284 -13.508 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.323 20.433 -9.762 1.00 0.00 H new ATOM 0 HH TYR A 59 15.447 20.314 -11.694 1.00 0.00 H new ATOM 607 N ILE A 60 7.643 19.578 -11.949 1.00 0.00 N ATOM 608 CA ILE A 60 7.199 19.657 -13.354 1.00 0.00 C ATOM 609 C ILE A 60 6.221 20.826 -13.545 1.00 0.00 C ATOM 610 O ILE A 60 6.345 21.577 -14.509 1.00 0.00 O ATOM 611 CB ILE A 60 6.544 18.323 -13.777 1.00 0.00 C ATOM 612 CG1 ILE A 60 7.506 17.119 -13.646 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.028 18.403 -15.227 1.00 0.00 C ATOM 614 CD1 ILE A 60 6.732 15.808 -13.465 1.00 0.00 C ATOM 0 H ILE A 60 7.359 18.715 -11.486 1.00 0.00 H new ATOM 0 HA ILE A 60 8.068 19.835 -13.988 1.00 0.00 H new ATOM 0 HB ILE A 60 5.710 18.163 -13.094 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.134 17.054 -14.534 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.171 17.272 -12.796 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.571 17.453 -15.503 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.287 19.199 -15.306 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.860 18.614 -15.898 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.435 14.980 -13.376 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.124 15.866 -12.563 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.086 15.645 -14.328 1.00 0.00 H new ATOM 626 N MET A 61 5.279 21.016 -12.616 1.00 0.00 N ATOM 627 CA MET A 61 4.302 22.110 -12.631 1.00 0.00 C ATOM 628 C MET A 61 4.996 23.487 -12.600 1.00 0.00 C ATOM 629 O MET A 61 4.700 24.343 -13.431 1.00 0.00 O ATOM 630 CB MET A 61 3.337 21.886 -11.451 1.00 0.00 C ATOM 631 CG MET A 61 1.977 22.585 -11.554 1.00 0.00 C ATOM 632 SD MET A 61 1.990 24.396 -11.459 1.00 0.00 S ATOM 633 CE MET A 61 1.517 24.773 -13.168 1.00 0.00 C ATOM 0 H MET A 61 5.172 20.398 -11.812 1.00 0.00 H new ATOM 0 HA MET A 61 3.731 22.108 -13.559 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.166 20.815 -11.346 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.828 22.222 -10.537 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.515 22.296 -12.498 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.337 22.206 -10.757 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.609 25.845 -13.343 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.172 24.235 -13.854 1.00 0.00 H new ATOM 0 HE3 MET A 61 0.485 24.466 -13.336 1.00 0.00 H new ATOM 643 N VAL A 62 5.999 23.674 -11.734 1.00 0.00 N ATOM 644 CA VAL A 62 6.797 24.912 -11.648 1.00 0.00 C ATOM 645 C VAL A 62 7.643 25.130 -12.907 1.00 0.00 C ATOM 646 O VAL A 62 7.590 26.213 -13.497 1.00 0.00 O ATOM 647 CB VAL A 62 7.663 24.918 -10.378 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.690 26.058 -10.329 1.00 0.00 C ATOM 649 CG2 VAL A 62 6.786 25.044 -9.127 1.00 0.00 C ATOM 0 H VAL A 62 6.286 22.962 -11.062 1.00 0.00 H new ATOM 0 HA VAL A 62 6.102 25.750 -11.583 1.00 0.00 H new ATOM 0 HB VAL A 62 8.201 23.971 -10.403 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.261 25.993 -9.403 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.367 25.975 -11.179 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.172 27.016 -10.370 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.418 25.046 -8.239 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.219 25.974 -9.172 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.096 24.201 -9.080 1.00 0.00 H new ATOM 659 N LYS A 63 8.373 24.098 -13.365 1.00 0.00 N ATOM 660 CA LYS A 63 9.151 24.161 -14.622 1.00 0.00 C ATOM 661 C LYS A 63 8.268 24.267 -15.876 1.00 0.00 C ATOM 662 O LYS A 63 8.772 24.665 -16.925 1.00 0.00 O ATOM 663 CB LYS A 63 10.093 22.939 -14.745 1.00 0.00 C ATOM 664 CG LYS A 63 11.527 23.201 -14.259 1.00 0.00 C ATOM 665 CD LYS A 63 11.692 23.213 -12.732 1.00 0.00 C ATOM 666 CE LYS A 63 13.083 23.708 -12.293 1.00 0.00 C ATOM 667 NZ LYS A 63 14.213 22.942 -12.899 1.00 0.00 N ATOM 0 H LYS A 63 8.443 23.203 -12.882 1.00 0.00 H new ATOM 0 HA LYS A 63 9.741 25.076 -14.567 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.673 22.111 -14.174 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.126 22.623 -15.788 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.183 22.437 -14.676 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.861 24.160 -14.655 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.927 23.853 -12.292 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.529 22.208 -12.344 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.185 24.760 -12.559 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.155 23.646 -11.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.117 23.351 -12.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.160 21.948 -12.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.150 22.993 -13.936 1.00 0.00 H new ATOM 681 N GLN A 64 6.968 23.964 -15.758 1.00 0.00 N ATOM 682 CA GLN A 64 5.930 24.012 -16.802 1.00 0.00 C ATOM 683 C GLN A 64 6.402 23.463 -18.162 1.00 0.00 C ATOM 684 O GLN A 64 6.145 24.035 -19.223 1.00 0.00 O ATOM 685 CB GLN A 64 5.212 25.376 -16.813 1.00 0.00 C ATOM 686 CG GLN A 64 6.089 26.607 -17.100 1.00 0.00 C ATOM 687 CD GLN A 64 5.436 27.887 -16.585 1.00 0.00 C ATOM 688 OE1 GLN A 64 4.756 28.612 -17.303 1.00 0.00 O ATOM 689 NE2 GLN A 64 5.610 28.208 -15.317 1.00 0.00 N ATOM 0 H GLN A 64 6.584 23.656 -14.865 1.00 0.00 H new ATOM 0 HA GLN A 64 5.147 23.300 -16.542 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.419 25.339 -17.560 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.731 25.517 -15.845 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.064 26.479 -16.629 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.262 26.691 -18.173 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.174 27.611 -14.712 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.180 29.053 -14.941 1.00 0.00 H new ATOM 698 N LEU A 65 7.125 22.335 -18.101 1.00 0.00 N ATOM 699 CA LEU A 65 7.870 21.737 -19.218 1.00 0.00 C ATOM 700 C LEU A 65 7.107 20.589 -19.917 1.00 0.00 C ATOM 701 O LEU A 65 7.676 19.788 -20.657 1.00 0.00 O ATOM 702 CB LEU A 65 9.280 21.385 -18.696 1.00 0.00 C ATOM 703 CG LEU A 65 10.393 21.219 -19.754 1.00 0.00 C ATOM 704 CD1 LEU A 65 10.521 22.416 -20.700 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.735 21.067 -19.035 1.00 0.00 C ATOM 0 H LEU A 65 7.210 21.794 -17.240 1.00 0.00 H new ATOM 0 HA LEU A 65 7.981 22.450 -20.035 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.588 22.164 -17.998 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.210 20.457 -18.128 1.00 0.00 H new ATOM 0 HG LEU A 65 10.127 20.345 -20.348 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.322 22.230 -21.416 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.582 22.559 -21.235 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.751 23.312 -20.124 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.531 20.949 -19.771 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.927 21.954 -18.432 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.705 20.189 -18.389 1.00 0.00 H new ATOM 717 N TYR A 66 5.799 20.504 -19.675 1.00 0.00 N ATOM 718 CA TYR A 66 4.867 19.638 -20.397 1.00 0.00 C ATOM 719 C TYR A 66 4.427 20.280 -21.727 1.00 0.00 C ATOM 720 O TYR A 66 4.551 21.495 -21.915 1.00 0.00 O ATOM 721 CB TYR A 66 3.682 19.303 -19.481 1.00 0.00 C ATOM 722 CG TYR A 66 3.008 20.514 -18.862 1.00 0.00 C ATOM 723 CD1 TYR A 66 2.083 21.266 -19.610 1.00 0.00 C ATOM 724 CD2 TYR A 66 3.343 20.914 -17.552 1.00 0.00 C ATOM 725 CE1 TYR A 66 1.486 22.410 -19.050 1.00 0.00 C ATOM 726 CE2 TYR A 66 2.742 22.054 -16.984 1.00 0.00 C ATOM 727 CZ TYR A 66 1.810 22.807 -17.735 1.00 0.00 C ATOM 728 OH TYR A 66 1.225 23.919 -17.207 1.00 0.00 O ATOM 0 H TYR A 66 5.344 21.054 -18.947 1.00 0.00 H new ATOM 0 HA TYR A 66 5.363 18.705 -20.665 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.942 18.743 -20.054 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.029 18.648 -18.682 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.831 20.964 -20.616 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.063 20.344 -16.983 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.778 22.986 -19.628 1.00 0.00 H new ATOM 0 HE2 TYR A 66 2.992 22.353 -15.977 1.00 0.00 H new ATOM 0 HH TYR A 66 1.551 24.058 -16.293 1.00 0.00 H new ATOM 738 N ASP A 67 3.915 19.485 -22.672 1.00 0.00 N ATOM 739 CA ASP A 67 3.506 20.008 -23.984 1.00 0.00 C ATOM 740 C ASP A 67 2.184 20.802 -23.905 1.00 0.00 C ATOM 741 O ASP A 67 1.190 20.350 -23.337 1.00 0.00 O ATOM 742 CB ASP A 67 3.444 18.888 -25.038 1.00 0.00 C ATOM 743 CG ASP A 67 3.520 19.426 -26.481 1.00 0.00 C ATOM 744 OD1 ASP A 67 2.849 20.440 -26.788 1.00 0.00 O ATOM 745 OD2 ASP A 67 4.260 18.843 -27.308 1.00 0.00 O ATOM 0 H ASP A 67 3.773 18.482 -22.556 1.00 0.00 H new ATOM 0 HA ASP A 67 4.272 20.714 -24.305 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.265 18.191 -24.871 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.518 18.326 -24.912 1.00 0.00 H new ATOM 750 N GLN A 68 2.163 21.980 -24.533 1.00 0.00 N ATOM 751 CA GLN A 68 0.977 22.825 -24.741 1.00 0.00 C ATOM 752 C GLN A 68 -0.193 22.089 -25.434 1.00 0.00 C ATOM 753 O GLN A 68 -1.359 22.369 -25.147 1.00 0.00 O ATOM 754 CB GLN A 68 1.349 24.056 -25.597 1.00 0.00 C ATOM 755 CG GLN A 68 2.726 24.686 -25.306 1.00 0.00 C ATOM 756 CD GLN A 68 3.834 24.316 -26.305 1.00 0.00 C ATOM 757 OE1 GLN A 68 3.972 23.087 -26.778 1.00 0.00 O flip ATOM 758 NE2 GLN A 68 4.644 25.154 -26.679 1.00 0.00 N flip ATOM 0 H GLN A 68 3.008 22.392 -24.929 1.00 0.00 H new ATOM 0 HA GLN A 68 0.641 23.118 -23.746 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.318 23.767 -26.648 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.584 24.819 -25.453 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.617 25.770 -25.293 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.043 24.385 -24.307 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.577 26.114 -26.341 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.386 24.892 -27.328 1.00 0.00 H new ATOM 767 N GLN A 69 0.112 21.151 -26.341 1.00 0.00 N ATOM 768 CA GLN A 69 -0.868 20.336 -27.074 1.00 0.00 C ATOM 769 C GLN A 69 -1.328 19.107 -26.270 1.00 0.00 C ATOM 770 O GLN A 69 -2.441 18.617 -26.471 1.00 0.00 O ATOM 771 CB GLN A 69 -0.261 19.882 -28.415 1.00 0.00 C ATOM 772 CG GLN A 69 -0.279 20.942 -29.531 1.00 0.00 C ATOM 773 CD GLN A 69 0.513 22.220 -29.248 1.00 0.00 C ATOM 774 OE1 GLN A 69 -0.007 23.328 -29.302 1.00 0.00 O ATOM 775 NE2 GLN A 69 1.797 22.140 -28.972 1.00 0.00 N ATOM 0 H GLN A 69 1.076 20.931 -26.593 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.746 20.958 -27.247 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.771 19.574 -28.244 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.803 19.002 -28.762 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.111 20.489 -30.442 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.315 21.216 -29.730 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.252 21.228 -28.922 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.337 22.989 -28.808 1.00 0.00 H new ATOM 784 N GLU A 70 -0.482 18.601 -25.368 1.00 0.00 N ATOM 785 CA GLU A 70 -0.758 17.423 -24.537 1.00 0.00 C ATOM 786 C GLU A 70 0.026 17.464 -23.218 1.00 0.00 C ATOM 787 O GLU A 70 1.164 17.002 -23.111 1.00 0.00 O ATOM 788 CB GLU A 70 -0.511 16.103 -25.296 1.00 0.00 C ATOM 789 CG GLU A 70 0.706 16.084 -26.240 1.00 0.00 C ATOM 790 CD GLU A 70 0.853 14.731 -26.967 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.100 14.295 -27.662 1.00 0.00 O ATOM 792 OE2 GLU A 70 1.943 14.110 -26.903 1.00 0.00 O ATOM 0 H GLU A 70 0.436 19.008 -25.190 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.819 17.456 -24.291 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.391 15.304 -24.565 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.402 15.870 -25.879 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.606 16.882 -26.976 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.611 16.289 -25.668 1.00 0.00 H new ATOM 799 N GLN A 71 -0.640 17.958 -22.172 1.00 0.00 N ATOM 800 CA GLN A 71 -0.103 18.043 -20.812 1.00 0.00 C ATOM 801 C GLN A 71 0.268 16.663 -20.230 1.00 0.00 C ATOM 802 O GLN A 71 0.994 16.586 -19.237 1.00 0.00 O ATOM 803 CB GLN A 71 -1.129 18.727 -19.893 1.00 0.00 C ATOM 804 CG GLN A 71 -1.470 20.189 -20.248 1.00 0.00 C ATOM 805 CD GLN A 71 -2.465 20.392 -21.398 1.00 0.00 C ATOM 806 OE1 GLN A 71 -3.036 19.468 -21.966 1.00 0.00 O ATOM 807 NE2 GLN A 71 -2.718 21.623 -21.789 1.00 0.00 N ATOM 0 H GLN A 71 -1.591 18.319 -22.249 1.00 0.00 H new ATOM 0 HA GLN A 71 0.814 18.630 -20.865 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.050 18.144 -19.908 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.751 18.699 -18.871 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.872 20.673 -19.358 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.544 20.705 -20.501 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.255 22.409 -21.332 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.377 21.791 -22.549 1.00 0.00 H new ATOM 816 N HIS A 72 -0.203 15.570 -20.852 1.00 0.00 N ATOM 817 CA HIS A 72 0.173 14.204 -20.486 1.00 0.00 C ATOM 818 C HIS A 72 1.668 13.909 -20.736 1.00 0.00 C ATOM 819 O HIS A 72 2.257 13.106 -20.008 1.00 0.00 O ATOM 820 CB HIS A 72 -0.774 13.183 -21.159 1.00 0.00 C ATOM 821 CG HIS A 72 -0.196 12.431 -22.338 1.00 0.00 C ATOM 822 ND1 HIS A 72 0.333 13.008 -23.493 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.045 11.077 -22.416 1.00 0.00 C ATOM 824 CE1 HIS A 72 0.820 11.995 -24.226 1.00 0.00 C ATOM 825 NE2 HIS A 72 0.591 10.820 -23.613 1.00 0.00 N ATOM 0 H HIS A 72 -0.861 15.615 -21.630 1.00 0.00 H new ATOM 0 HA HIS A 72 0.047 14.099 -19.408 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.090 12.458 -20.409 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.669 13.709 -21.490 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.362 10.349 -21.684 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.325 12.107 -25.174 1.00 0.00 H new ATOM 0 HE2 HIS A 72 0.844 9.899 -23.971 1.00 0.00 H new ATOM 833 N MET A 73 2.285 14.589 -21.714 1.00 0.00 N ATOM 834 CA MET A 73 3.696 14.471 -22.087 1.00 0.00 C ATOM 835 C MET A 73 4.538 15.500 -21.322 1.00 0.00 C ATOM 836 O MET A 73 4.223 16.692 -21.331 1.00 0.00 O ATOM 837 CB MET A 73 3.841 14.649 -23.609 1.00 0.00 C ATOM 838 CG MET A 73 5.292 14.815 -24.084 1.00 0.00 C ATOM 839 SD MET A 73 6.467 13.515 -23.604 1.00 0.00 S ATOM 840 CE MET A 73 5.918 12.169 -24.684 1.00 0.00 C ATOM 0 H MET A 73 1.787 15.267 -22.291 1.00 0.00 H new ATOM 0 HA MET A 73 4.062 13.480 -21.818 1.00 0.00 H new ATOM 0 HB2 MET A 73 3.403 13.785 -24.109 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.266 15.522 -23.919 1.00 0.00 H new ATOM 0 HG2 MET A 73 5.287 14.883 -25.172 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.666 15.767 -23.706 1.00 0.00 H new ATOM 0 HE1 MET A 73 6.539 11.290 -24.514 1.00 0.00 H new ATOM 0 HE2 MET A 73 4.878 11.927 -24.464 1.00 0.00 H new ATOM 0 HE3 MET A 73 6.005 12.479 -25.725 1.00 0.00 H new ATOM 850 N VAL A 74 5.635 15.053 -20.707 1.00 0.00 N ATOM 851 CA VAL A 74 6.569 15.860 -19.911 1.00 0.00 C ATOM 852 C VAL A 74 7.969 15.792 -20.529 1.00 0.00 C ATOM 853 O VAL A 74 8.583 14.725 -20.582 1.00 0.00 O ATOM 854 CB VAL A 74 6.601 15.375 -18.447 1.00 0.00 C ATOM 855 CG1 VAL A 74 7.580 16.214 -17.617 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.216 15.471 -17.789 1.00 0.00 C ATOM 0 H VAL A 74 5.911 14.072 -20.751 1.00 0.00 H new ATOM 0 HA VAL A 74 6.228 16.895 -19.915 1.00 0.00 H new ATOM 0 HB VAL A 74 6.921 14.333 -18.470 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.586 15.854 -16.588 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.582 16.127 -18.038 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.269 17.259 -17.634 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.278 15.121 -16.759 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.879 16.507 -17.800 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.508 14.853 -18.340 1.00 0.00 H new ATOM 866 N TYR A 75 8.497 16.939 -20.961 1.00 0.00 N ATOM 867 CA TYR A 75 9.884 17.100 -21.404 1.00 0.00 C ATOM 868 C TYR A 75 10.803 17.545 -20.251 1.00 0.00 C ATOM 869 O TYR A 75 10.346 18.024 -19.213 1.00 0.00 O ATOM 870 CB TYR A 75 9.935 18.059 -22.603 1.00 0.00 C ATOM 871 CG TYR A 75 9.285 17.450 -23.826 1.00 0.00 C ATOM 872 CD1 TYR A 75 9.917 16.359 -24.450 1.00 0.00 C ATOM 873 CD2 TYR A 75 8.036 17.905 -24.292 1.00 0.00 C ATOM 874 CE1 TYR A 75 9.295 15.700 -25.521 1.00 0.00 C ATOM 875 CE2 TYR A 75 7.425 17.266 -25.389 1.00 0.00 C ATOM 876 CZ TYR A 75 8.047 16.157 -26.003 1.00 0.00 C ATOM 877 OH TYR A 75 7.441 15.535 -27.054 1.00 0.00 O ATOM 0 H TYR A 75 7.958 17.804 -21.014 1.00 0.00 H new ATOM 0 HA TYR A 75 10.266 16.132 -21.730 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.431 18.991 -22.347 1.00 0.00 H new ATOM 0 HB3 TYR A 75 10.972 18.309 -22.827 1.00 0.00 H new ATOM 0 HD1 TYR A 75 10.885 16.028 -24.103 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.549 18.740 -23.810 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.769 14.844 -25.977 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.477 17.626 -25.762 1.00 0.00 H new ATOM 0 HH TYR A 75 6.590 15.980 -27.251 1.00 0.00 H new ATOM 887 N CYS A 76 12.111 17.365 -20.440 1.00 0.00 N ATOM 888 CA CYS A 76 13.192 17.642 -19.481 1.00 0.00 C ATOM 889 C CYS A 76 14.532 17.938 -20.183 1.00 0.00 C ATOM 890 O CYS A 76 15.599 17.650 -19.638 1.00 0.00 O ATOM 891 CB CYS A 76 13.307 16.437 -18.534 1.00 0.00 C ATOM 892 SG CYS A 76 12.228 16.664 -17.100 1.00 0.00 S ATOM 0 H CYS A 76 12.471 16.999 -21.321 1.00 0.00 H new ATOM 0 HA CYS A 76 12.951 18.542 -18.915 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.035 15.523 -19.062 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.340 16.320 -18.206 1.00 0.00 H new ATOM 0 HG CYS A 76 11.150 17.293 -17.463 1.00 0.00 H new ATOM 898 N GLY A 77 14.498 18.451 -21.417 1.00 0.00 N ATOM 899 CA GLY A 77 15.687 18.567 -22.265 1.00 0.00 C ATOM 900 C GLY A 77 16.812 19.389 -21.625 1.00 0.00 C ATOM 901 O GLY A 77 16.638 20.570 -21.313 1.00 0.00 O ATOM 0 H GLY A 77 13.645 18.797 -21.856 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.061 17.569 -22.493 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.405 19.026 -23.213 1.00 0.00 H new ATOM 905 N GLY A 78 17.961 18.743 -21.414 1.00 0.00 N ATOM 906 CA GLY A 78 19.141 19.312 -20.762 1.00 0.00 C ATOM 907 C GLY A 78 19.028 19.543 -19.246 1.00 0.00 C ATOM 908 O GLY A 78 19.925 20.178 -18.688 1.00 0.00 O ATOM 0 H GLY A 78 18.099 17.775 -21.703 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.988 18.651 -20.947 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.371 20.265 -21.239 1.00 0.00 H new ATOM 912 N ASP A 79 17.971 19.075 -18.560 1.00 0.00 N ATOM 913 CA ASP A 79 17.760 19.343 -17.136 1.00 0.00 C ATOM 914 C ASP A 79 18.224 18.174 -16.247 1.00 0.00 C ATOM 915 O ASP A 79 18.265 16.998 -16.640 1.00 0.00 O ATOM 916 CB ASP A 79 16.294 19.757 -16.880 1.00 0.00 C ATOM 917 CG ASP A 79 16.121 20.749 -15.704 1.00 0.00 C ATOM 918 OD1 ASP A 79 17.039 20.886 -14.861 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.061 21.417 -15.634 1.00 0.00 O ATOM 0 H ASP A 79 17.241 18.500 -18.982 1.00 0.00 H new ATOM 0 HA ASP A 79 18.389 20.185 -16.849 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.890 20.208 -17.786 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.704 18.863 -16.679 1.00 0.00 H new ATOM 924 N LEU A 80 18.531 18.507 -14.996 1.00 0.00 N ATOM 925 CA LEU A 80 18.975 17.578 -13.963 1.00 0.00 C ATOM 926 C LEU A 80 17.926 16.480 -13.694 1.00 0.00 C ATOM 927 O LEU A 80 18.280 15.374 -13.298 1.00 0.00 O ATOM 928 CB LEU A 80 19.364 18.350 -12.693 1.00 0.00 C ATOM 929 CG LEU A 80 20.748 19.032 -12.727 1.00 0.00 C ATOM 930 CD1 LEU A 80 20.850 20.192 -13.721 1.00 0.00 C ATOM 931 CD2 LEU A 80 21.064 19.586 -11.335 1.00 0.00 C ATOM 0 H LEU A 80 18.475 19.469 -14.662 1.00 0.00 H new ATOM 0 HA LEU A 80 19.864 17.058 -14.319 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.607 19.112 -12.506 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.338 17.662 -11.848 1.00 0.00 H new ATOM 0 HG LEU A 80 21.454 18.265 -13.046 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.853 20.616 -13.683 1.00 0.00 H new ATOM 0 HD12 LEU A 80 20.648 19.827 -14.728 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.121 20.960 -13.460 1.00 0.00 H new ATOM 0 HD21 LEU A 80 22.041 20.070 -11.349 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.303 20.313 -11.051 1.00 0.00 H new ATOM 0 HD23 LEU A 80 21.074 18.770 -10.612 1.00 0.00 H new ATOM 943 N LEU A 81 16.637 16.755 -13.922 1.00 0.00 N ATOM 944 CA LEU A 81 15.579 15.741 -13.831 1.00 0.00 C ATOM 945 C LEU A 81 15.691 14.656 -14.924 1.00 0.00 C ATOM 946 O LEU A 81 15.605 13.469 -14.615 1.00 0.00 O ATOM 947 CB LEU A 81 14.215 16.454 -13.842 1.00 0.00 C ATOM 948 CG LEU A 81 13.012 15.497 -13.691 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.087 14.643 -12.422 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.704 16.281 -13.622 1.00 0.00 C ATOM 0 H LEU A 81 16.298 17.683 -14.174 1.00 0.00 H new ATOM 0 HA LEU A 81 15.691 15.197 -12.893 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.190 17.184 -13.033 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.112 17.008 -14.775 1.00 0.00 H new ATOM 0 HG LEU A 81 13.045 14.848 -14.566 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.215 13.991 -12.370 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.993 14.037 -12.444 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.107 15.293 -11.547 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.870 15.588 -13.516 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.728 16.954 -12.765 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.579 16.862 -14.536 1.00 0.00 H new ATOM 962 N GLY A 82 15.947 15.038 -16.181 1.00 0.00 N ATOM 963 CA GLY A 82 16.292 14.100 -17.269 1.00 0.00 C ATOM 964 C GLY A 82 17.615 13.385 -17.022 1.00 0.00 C ATOM 965 O GLY A 82 17.705 12.209 -17.347 1.00 0.00 O ATOM 0 H GLY A 82 15.922 16.013 -16.479 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.497 13.362 -17.374 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.347 14.645 -18.211 1.00 0.00 H new ATOM 969 N GLU A 83 18.602 14.011 -16.378 1.00 0.00 N ATOM 970 CA GLU A 83 19.812 13.339 -15.939 1.00 0.00 C ATOM 971 C GLU A 83 19.533 12.280 -14.849 1.00 0.00 C ATOM 972 O GLU A 83 20.097 11.184 -14.900 1.00 0.00 O ATOM 973 CB GLU A 83 20.752 14.449 -15.461 1.00 0.00 C ATOM 974 CG GLU A 83 22.069 13.872 -15.000 1.00 0.00 C ATOM 975 CD GLU A 83 23.094 14.973 -14.669 1.00 0.00 C ATOM 976 OE1 GLU A 83 23.149 15.432 -13.503 1.00 0.00 O ATOM 977 OE2 GLU A 83 23.866 15.380 -15.573 1.00 0.00 O ATOM 0 H GLU A 83 18.578 15.004 -16.148 1.00 0.00 H new ATOM 0 HA GLU A 83 20.265 12.769 -16.750 1.00 0.00 H new ATOM 0 HB2 GLU A 83 20.924 15.160 -16.269 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.286 15.001 -14.645 1.00 0.00 H new ATOM 0 HG2 GLU A 83 21.905 13.252 -14.119 1.00 0.00 H new ATOM 0 HG3 GLU A 83 22.472 13.222 -15.777 1.00 0.00 H new ATOM 984 N LEU A 84 18.634 12.570 -13.896 1.00 0.00 N ATOM 985 CA LEU A 84 18.279 11.664 -12.797 1.00 0.00 C ATOM 986 C LEU A 84 17.476 10.453 -13.312 1.00 0.00 C ATOM 987 O LEU A 84 17.856 9.304 -13.075 1.00 0.00 O ATOM 988 CB LEU A 84 17.529 12.464 -11.706 1.00 0.00 C ATOM 989 CG LEU A 84 17.466 11.832 -10.298 1.00 0.00 C ATOM 990 CD1 LEU A 84 16.810 12.829 -9.339 1.00 0.00 C ATOM 991 CD2 LEU A 84 16.661 10.538 -10.188 1.00 0.00 C ATOM 0 H LEU A 84 18.127 13.454 -13.868 1.00 0.00 H new ATOM 0 HA LEU A 84 19.183 11.251 -12.350 1.00 0.00 H new ATOM 0 HB2 LEU A 84 18.000 13.443 -11.618 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.508 12.632 -12.049 1.00 0.00 H new ATOM 0 HG LEU A 84 18.501 11.590 -10.057 1.00 0.00 H new ATOM 0 HD11 LEU A 84 16.760 12.394 -8.341 1.00 0.00 H new ATOM 0 HD12 LEU A 84 17.400 13.745 -9.307 1.00 0.00 H new ATOM 0 HD13 LEU A 84 15.803 13.059 -9.686 1.00 0.00 H new ATOM 0 HD21 LEU A 84 16.683 10.182 -9.158 1.00 0.00 H new ATOM 0 HD22 LEU A 84 15.629 10.725 -10.485 1.00 0.00 H new ATOM 0 HD23 LEU A 84 17.096 9.782 -10.842 1.00 0.00 H new ATOM 1003 N LEU A 85 16.402 10.706 -14.073 1.00 0.00 N ATOM 1004 CA LEU A 85 15.575 9.660 -14.707 1.00 0.00 C ATOM 1005 C LEU A 85 16.302 8.976 -15.886 1.00 0.00 C ATOM 1006 O LEU A 85 15.930 7.872 -16.284 1.00 0.00 O ATOM 1007 CB LEU A 85 14.225 10.265 -15.161 1.00 0.00 C ATOM 1008 CG LEU A 85 13.096 10.261 -14.106 1.00 0.00 C ATOM 1009 CD1 LEU A 85 13.483 10.909 -12.782 1.00 0.00 C ATOM 1010 CD2 LEU A 85 11.898 11.027 -14.663 1.00 0.00 C ATOM 0 H LEU A 85 16.076 11.652 -14.270 1.00 0.00 H new ATOM 0 HA LEU A 85 15.388 8.884 -13.965 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.398 11.294 -15.477 1.00 0.00 H new ATOM 0 HB3 LEU A 85 13.879 9.717 -16.037 1.00 0.00 H new ATOM 0 HG LEU A 85 12.871 9.214 -13.905 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.638 10.866 -12.095 1.00 0.00 H new ATOM 0 HD12 LEU A 85 14.329 10.375 -12.349 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.759 11.949 -12.953 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.094 11.031 -13.927 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.193 12.053 -14.884 1.00 0.00 H new ATOM 0 HD23 LEU A 85 11.551 10.545 -15.577 1.00 0.00 H new ATOM 1022 N GLY A 86 17.327 9.626 -16.449 1.00 0.00 N ATOM 1023 CA GLY A 86 18.142 9.137 -17.565 1.00 0.00 C ATOM 1024 C GLY A 86 17.501 9.305 -18.948 1.00 0.00 C ATOM 1025 O GLY A 86 17.984 8.684 -19.899 1.00 0.00 O ATOM 0 H GLY A 86 17.623 10.547 -16.125 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.098 9.661 -17.556 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.357 8.080 -17.405 1.00 0.00 H new ATOM 1029 N ARG A 87 16.414 10.097 -19.079 1.00 0.00 N ATOM 1030 CA ARG A 87 15.595 10.139 -20.312 1.00 0.00 C ATOM 1031 C ARG A 87 15.239 11.457 -20.991 1.00 0.00 C ATOM 1032 O ARG A 87 14.951 11.444 -22.183 1.00 0.00 O ATOM 1033 CB ARG A 87 14.321 9.293 -20.103 1.00 0.00 C ATOM 1034 CG ARG A 87 14.532 7.804 -20.427 1.00 0.00 C ATOM 1035 CD ARG A 87 13.259 6.961 -20.253 1.00 0.00 C ATOM 1036 NE ARG A 87 12.070 7.576 -20.884 1.00 0.00 N ATOM 1037 CZ ARG A 87 10.862 7.062 -21.015 1.00 0.00 C ATOM 1038 NH1 ARG A 87 10.545 5.842 -20.703 1.00 0.00 N ATOM 1039 NH2 ARG A 87 9.894 7.794 -21.462 1.00 0.00 N ATOM 0 H ARG A 87 16.082 10.719 -18.342 1.00 0.00 H new ATOM 0 HA ARG A 87 16.300 9.738 -21.040 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.991 9.391 -19.069 1.00 0.00 H new ATOM 0 HB3 ARG A 87 13.522 9.687 -20.731 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.886 7.709 -21.454 1.00 0.00 H new ATOM 0 HG3 ARG A 87 15.315 7.406 -19.782 1.00 0.00 H new ATOM 0 HD2 ARG A 87 13.422 5.973 -20.683 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.067 6.818 -19.190 1.00 0.00 H new ATOM 0 HE ARG A 87 12.201 8.513 -21.265 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.253 5.211 -20.328 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.588 5.515 -20.832 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.065 8.768 -21.713 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.960 7.398 -21.564 1.00 0.00 H new ATOM 1053 N GLN A 88 15.209 12.570 -20.268 1.00 0.00 N ATOM 1054 CA GLN A 88 14.741 13.895 -20.737 1.00 0.00 C ATOM 1055 C GLN A 88 13.313 13.971 -21.330 1.00 0.00 C ATOM 1056 O GLN A 88 12.879 15.047 -21.739 1.00 0.00 O ATOM 1057 CB GLN A 88 15.794 14.536 -21.647 1.00 0.00 C ATOM 1058 CG GLN A 88 17.113 14.714 -20.887 1.00 0.00 C ATOM 1059 CD GLN A 88 18.281 14.925 -21.836 1.00 0.00 C ATOM 1060 OE1 GLN A 88 18.589 16.031 -22.257 1.00 0.00 O ATOM 1061 NE2 GLN A 88 18.952 13.861 -22.223 1.00 0.00 N ATOM 0 H GLN A 88 15.520 12.589 -19.297 1.00 0.00 H new ATOM 0 HA GLN A 88 14.630 14.484 -19.826 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.954 13.912 -22.526 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.438 15.503 -22.003 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.033 15.566 -20.213 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.299 13.835 -20.269 1.00 0.00 H new ATOM 0 HE21 GLN A 88 18.694 12.939 -21.871 1.00 0.00 H new ATOM 0 HE22 GLN A 88 19.730 13.958 -22.875 1.00 0.00 H new ATOM 1070 N SER A 89 12.559 12.873 -21.339 1.00 0.00 N ATOM 1071 CA SER A 89 11.121 12.843 -21.652 1.00 0.00 C ATOM 1072 C SER A 89 10.413 11.614 -21.065 1.00 0.00 C ATOM 1073 O SER A 89 10.935 10.494 -21.088 1.00 0.00 O ATOM 1074 CB SER A 89 10.845 12.958 -23.158 1.00 0.00 C ATOM 1075 OG SER A 89 11.363 11.850 -23.882 1.00 0.00 O ATOM 0 H SER A 89 12.937 11.951 -21.123 1.00 0.00 H new ATOM 0 HA SER A 89 10.701 13.725 -21.169 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.770 13.029 -23.325 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.288 13.878 -23.538 1.00 0.00 H new ATOM 0 HG SER A 89 11.165 11.961 -24.835 1.00 0.00 H new ATOM 1081 N PHE A 90 9.215 11.827 -20.522 1.00 0.00 N ATOM 1082 CA PHE A 90 8.338 10.807 -19.932 1.00 0.00 C ATOM 1083 C PHE A 90 6.870 11.270 -19.960 1.00 0.00 C ATOM 1084 O PHE A 90 6.562 12.378 -20.397 1.00 0.00 O ATOM 1085 CB PHE A 90 8.824 10.455 -18.512 1.00 0.00 C ATOM 1086 CG PHE A 90 8.894 11.605 -17.524 1.00 0.00 C ATOM 1087 CD1 PHE A 90 10.062 12.388 -17.437 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.815 11.863 -16.656 1.00 0.00 C ATOM 1089 CE1 PHE A 90 10.156 13.414 -16.480 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.912 12.888 -15.698 1.00 0.00 C ATOM 1091 CZ PHE A 90 9.087 13.653 -15.601 1.00 0.00 C ATOM 0 H PHE A 90 8.806 12.760 -20.478 1.00 0.00 H new ATOM 0 HA PHE A 90 8.387 9.896 -20.528 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.162 9.691 -18.103 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.816 10.009 -18.590 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.888 12.200 -18.107 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.913 11.273 -16.726 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.050 14.018 -16.421 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.082 13.088 -15.036 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.168 14.425 -14.850 1.00 0.00 H new ATOM 1101 N SER A 91 5.941 10.416 -19.530 1.00 0.00 N ATOM 1102 CA SER A 91 4.497 10.686 -19.578 1.00 0.00 C ATOM 1103 C SER A 91 3.794 10.177 -18.322 1.00 0.00 C ATOM 1104 O SER A 91 4.263 9.237 -17.681 1.00 0.00 O ATOM 1105 CB SER A 91 3.916 10.052 -20.849 1.00 0.00 C ATOM 1106 OG SER A 91 2.503 9.963 -20.800 1.00 0.00 O ATOM 0 H SER A 91 6.169 9.505 -19.133 1.00 0.00 H new ATOM 0 HA SER A 91 4.331 11.763 -19.609 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.212 10.642 -21.716 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.338 9.056 -20.982 1.00 0.00 H new ATOM 0 HG SER A 91 2.128 10.837 -20.563 1.00 0.00 H new ATOM 1112 N VAL A 92 2.626 10.736 -17.994 1.00 0.00 N ATOM 1113 CA VAL A 92 1.751 10.182 -16.941 1.00 0.00 C ATOM 1114 C VAL A 92 1.220 8.778 -17.295 1.00 0.00 C ATOM 1115 O VAL A 92 0.808 8.034 -16.404 1.00 0.00 O ATOM 1116 CB VAL A 92 0.601 11.142 -16.574 1.00 0.00 C ATOM 1117 CG1 VAL A 92 1.141 12.481 -16.054 1.00 0.00 C ATOM 1118 CG2 VAL A 92 -0.341 11.411 -17.753 1.00 0.00 C ATOM 0 H VAL A 92 2.258 11.576 -18.441 1.00 0.00 H new ATOM 0 HA VAL A 92 2.377 10.072 -16.055 1.00 0.00 H new ATOM 0 HB VAL A 92 0.034 10.642 -15.789 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.307 13.137 -15.803 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.747 12.308 -15.164 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.753 12.950 -16.824 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.132 12.093 -17.439 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.221 11.860 -18.572 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.783 10.472 -18.087 1.00 0.00 H new ATOM 1128 N LYS A 93 1.274 8.389 -18.583 1.00 0.00 N ATOM 1129 CA LYS A 93 1.021 7.023 -19.089 1.00 0.00 C ATOM 1130 C LYS A 93 2.299 6.177 -19.271 1.00 0.00 C ATOM 1131 O LYS A 93 2.210 5.003 -19.630 1.00 0.00 O ATOM 1132 CB LYS A 93 0.185 7.088 -20.381 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.214 7.681 -20.140 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.089 7.569 -21.397 1.00 0.00 C ATOM 1135 CE LYS A 93 -3.489 8.135 -21.119 1.00 0.00 C ATOM 1136 NZ LYS A 93 -4.386 7.989 -22.298 1.00 0.00 N ATOM 0 H LYS A 93 1.504 9.043 -19.331 1.00 0.00 H new ATOM 0 HA LYS A 93 0.451 6.501 -18.321 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.710 7.691 -21.122 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.086 6.086 -20.798 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.695 7.161 -19.312 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.123 8.728 -19.849 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.626 8.112 -22.221 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.165 6.526 -21.705 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.926 7.621 -20.263 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.409 9.188 -20.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.322 8.382 -22.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.981 8.501 -23.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.482 6.982 -22.538 1.00 0.00 H new ATOM 1150 N ASP A 94 3.477 6.747 -19.003 1.00 0.00 N ATOM 1151 CA ASP A 94 4.785 6.068 -19.002 1.00 0.00 C ATOM 1152 C ASP A 94 5.663 6.509 -17.799 1.00 0.00 C ATOM 1153 O ASP A 94 6.742 7.078 -17.995 1.00 0.00 O ATOM 1154 CB ASP A 94 5.468 6.293 -20.366 1.00 0.00 C ATOM 1155 CG ASP A 94 6.788 5.514 -20.525 1.00 0.00 C ATOM 1156 OD1 ASP A 94 6.866 4.338 -20.098 1.00 0.00 O ATOM 1157 OD2 ASP A 94 7.749 6.068 -21.114 1.00 0.00 O ATOM 0 H ASP A 94 3.553 7.737 -18.770 1.00 0.00 H new ATOM 0 HA ASP A 94 4.640 4.996 -18.869 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.783 5.998 -21.160 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.665 7.357 -20.494 1.00 0.00 H new ATOM 1162 N PRO A 95 5.215 6.288 -16.542 1.00 0.00 N ATOM 1163 CA PRO A 95 5.933 6.705 -15.330 1.00 0.00 C ATOM 1164 C PRO A 95 7.096 5.772 -14.941 1.00 0.00 C ATOM 1165 O PRO A 95 7.783 6.021 -13.951 1.00 0.00 O ATOM 1166 CB PRO A 95 4.855 6.756 -14.243 1.00 0.00 C ATOM 1167 CG PRO A 95 3.937 5.601 -14.640 1.00 0.00 C ATOM 1168 CD PRO A 95 3.934 5.695 -16.165 1.00 0.00 C ATOM 0 HA PRO A 95 6.424 7.666 -15.484 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.275 6.617 -13.247 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.328 7.710 -14.237 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.319 4.641 -14.293 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.936 5.716 -14.224 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.814 4.709 -16.615 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.104 6.308 -16.515 1.00 0.00 H new ATOM 1176 N SER A 96 7.348 4.702 -15.702 1.00 0.00 N ATOM 1177 CA SER A 96 8.396 3.694 -15.457 1.00 0.00 C ATOM 1178 C SER A 96 9.800 4.235 -15.112 1.00 0.00 C ATOM 1179 O SER A 96 10.465 3.599 -14.291 1.00 0.00 O ATOM 1180 CB SER A 96 8.495 2.750 -16.663 1.00 0.00 C ATOM 1181 OG SER A 96 7.225 2.167 -16.931 1.00 0.00 O ATOM 0 H SER A 96 6.806 4.502 -16.543 1.00 0.00 H new ATOM 0 HA SER A 96 8.070 3.175 -14.555 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.844 3.299 -17.537 1.00 0.00 H new ATOM 0 HB3 SER A 96 9.228 1.968 -16.464 1.00 0.00 H new ATOM 0 HG SER A 96 7.297 1.567 -17.703 1.00 0.00 H new ATOM 1187 N PRO A 97 10.273 5.399 -15.619 1.00 0.00 N ATOM 1188 CA PRO A 97 11.578 5.950 -15.227 1.00 0.00 C ATOM 1189 C PRO A 97 11.678 6.335 -13.737 1.00 0.00 C ATOM 1190 O PRO A 97 12.774 6.309 -13.180 1.00 0.00 O ATOM 1191 CB PRO A 97 11.823 7.149 -16.155 1.00 0.00 C ATOM 1192 CG PRO A 97 10.961 6.821 -17.371 1.00 0.00 C ATOM 1193 CD PRO A 97 9.743 6.171 -16.738 1.00 0.00 C ATOM 0 HA PRO A 97 12.349 5.188 -15.338 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.524 8.088 -15.689 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.876 7.246 -16.420 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.697 7.715 -17.936 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.470 6.147 -18.060 1.00 0.00 H new ATOM 0 HD2 PRO A 97 9.027 6.919 -16.399 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.222 5.530 -17.449 1.00 0.00 H new ATOM 1201 N LEU A 98 10.551 6.627 -13.068 1.00 0.00 N ATOM 1202 CA LEU A 98 10.486 6.802 -11.606 1.00 0.00 C ATOM 1203 C LEU A 98 10.646 5.445 -10.904 1.00 0.00 C ATOM 1204 O LEU A 98 11.432 5.287 -9.968 1.00 0.00 O ATOM 1205 CB LEU A 98 9.129 7.408 -11.181 1.00 0.00 C ATOM 1206 CG LEU A 98 8.851 8.889 -11.499 1.00 0.00 C ATOM 1207 CD1 LEU A 98 8.783 9.228 -12.990 1.00 0.00 C ATOM 1208 CD2 LEU A 98 7.491 9.240 -10.887 1.00 0.00 C ATOM 0 H LEU A 98 9.650 6.750 -13.530 1.00 0.00 H new ATOM 0 HA LEU A 98 11.293 7.476 -11.319 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.342 6.816 -11.647 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.031 7.277 -10.103 1.00 0.00 H new ATOM 0 HG LEU A 98 9.686 9.457 -11.090 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.583 10.293 -13.112 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.733 8.980 -13.463 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.984 8.653 -13.458 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.259 10.285 -11.092 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.721 8.604 -11.324 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.525 9.081 -9.809 1.00 0.00 H new ATOM 1220 N TYR A 99 9.908 4.438 -11.372 1.00 0.00 N ATOM 1221 CA TYR A 99 9.902 3.122 -10.740 1.00 0.00 C ATOM 1222 C TYR A 99 11.241 2.391 -10.896 1.00 0.00 C ATOM 1223 O TYR A 99 11.650 1.696 -9.974 1.00 0.00 O ATOM 1224 CB TYR A 99 8.727 2.284 -11.264 1.00 0.00 C ATOM 1225 CG TYR A 99 7.362 2.790 -10.830 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.852 2.426 -9.569 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.600 3.617 -11.679 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.587 2.885 -9.154 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.334 4.078 -11.269 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.822 3.713 -10.004 1.00 0.00 C ATOM 1231 OH TYR A 99 3.593 4.149 -9.605 1.00 0.00 O ATOM 0 H TYR A 99 9.304 4.511 -12.191 1.00 0.00 H new ATOM 0 HA TYR A 99 9.765 3.270 -9.669 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.766 2.264 -12.353 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.847 1.256 -10.922 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.434 1.792 -8.917 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.988 3.898 -12.647 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.202 2.604 -8.185 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.753 4.712 -11.923 1.00 0.00 H new ATOM 0 HH TYR A 99 3.201 4.710 -10.307 1.00 0.00 H new ATOM 1241 N ASP A 100 11.990 2.616 -11.978 1.00 0.00 N ATOM 1242 CA ASP A 100 13.372 2.126 -12.117 1.00 0.00 C ATOM 1243 C ASP A 100 14.348 2.791 -11.124 1.00 0.00 C ATOM 1244 O ASP A 100 15.304 2.177 -10.649 1.00 0.00 O ATOM 1245 CB ASP A 100 13.845 2.371 -13.550 1.00 0.00 C ATOM 1246 CG ASP A 100 15.179 1.660 -13.837 1.00 0.00 C ATOM 1247 OD1 ASP A 100 15.295 0.444 -13.550 1.00 0.00 O ATOM 1248 OD2 ASP A 100 16.120 2.312 -14.349 1.00 0.00 O ATOM 0 H ASP A 100 11.659 3.143 -12.786 1.00 0.00 H new ATOM 0 HA ASP A 100 13.368 1.061 -11.887 1.00 0.00 H new ATOM 0 HB2 ASP A 100 13.087 2.018 -14.249 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.960 3.442 -13.718 1.00 0.00 H new ATOM 1253 N MET A 101 14.073 4.049 -10.780 1.00 0.00 N ATOM 1254 CA MET A 101 14.751 4.810 -9.718 1.00 0.00 C ATOM 1255 C MET A 101 14.404 4.277 -8.308 1.00 0.00 C ATOM 1256 O MET A 101 15.262 4.272 -7.425 1.00 0.00 O ATOM 1257 CB MET A 101 14.444 6.313 -9.934 1.00 0.00 C ATOM 1258 CG MET A 101 13.921 7.121 -8.738 1.00 0.00 C ATOM 1259 SD MET A 101 13.176 8.711 -9.214 1.00 0.00 S ATOM 1260 CE MET A 101 11.589 8.612 -8.329 1.00 0.00 C ATOM 0 H MET A 101 13.346 4.591 -11.247 1.00 0.00 H new ATOM 0 HA MET A 101 15.831 4.677 -9.780 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.357 6.793 -10.288 1.00 0.00 H new ATOM 0 HB3 MET A 101 13.711 6.392 -10.737 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.181 6.527 -8.203 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.743 7.305 -8.046 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.010 9.516 -8.518 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.031 7.744 -8.679 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.774 8.517 -7.259 1.00 0.00 H new ATOM 1270 N LEU A 102 13.171 3.794 -8.100 1.00 0.00 N ATOM 1271 CA LEU A 102 12.643 3.330 -6.808 1.00 0.00 C ATOM 1272 C LEU A 102 12.860 1.836 -6.533 1.00 0.00 C ATOM 1273 O LEU A 102 13.122 1.493 -5.385 1.00 0.00 O ATOM 1274 CB LEU A 102 11.147 3.680 -6.723 1.00 0.00 C ATOM 1275 CG LEU A 102 10.856 5.188 -6.654 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.370 5.431 -6.890 1.00 0.00 C ATOM 1277 CD2 LEU A 102 11.281 5.775 -5.306 1.00 0.00 C ATOM 0 H LEU A 102 12.489 3.713 -8.854 1.00 0.00 H new ATOM 0 HA LEU A 102 13.210 3.848 -6.034 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.638 3.262 -7.591 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.722 3.199 -5.842 1.00 0.00 H new ATOM 0 HG LEU A 102 11.435 5.687 -7.431 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.164 6.500 -6.841 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.091 5.052 -7.873 1.00 0.00 H new ATOM 0 HD13 LEU A 102 8.791 4.914 -6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.062 6.843 -5.289 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.733 5.279 -4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.351 5.622 -5.163 1.00 0.00 H new ATOM 1289 N ARG A 103 12.830 0.958 -7.549 1.00 0.00 N ATOM 1290 CA ARG A 103 13.031 -0.509 -7.420 1.00 0.00 C ATOM 1291 C ARG A 103 14.376 -0.893 -6.800 1.00 0.00 C ATOM 1292 O ARG A 103 14.501 -1.916 -6.129 1.00 0.00 O ATOM 1293 CB ARG A 103 12.803 -1.198 -8.783 1.00 0.00 C ATOM 1294 CG ARG A 103 13.747 -0.835 -9.943 1.00 0.00 C ATOM 1295 CD ARG A 103 15.094 -1.570 -10.009 1.00 0.00 C ATOM 1296 NE ARG A 103 15.803 -1.219 -11.253 1.00 0.00 N ATOM 1297 CZ ARG A 103 16.977 -1.646 -11.670 1.00 0.00 C ATOM 1298 NH1 ARG A 103 17.708 -2.491 -10.998 1.00 0.00 N ATOM 1299 NH2 ARG A 103 17.420 -1.201 -12.806 1.00 0.00 N ATOM 0 H ARG A 103 12.661 1.249 -8.512 1.00 0.00 H new ATOM 0 HA ARG A 103 12.284 -0.872 -6.714 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.864 -2.275 -8.627 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.784 -0.980 -9.101 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.218 -1.016 -10.878 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.948 0.235 -9.892 1.00 0.00 H new ATOM 0 HD2 ARG A 103 15.705 -1.304 -9.146 1.00 0.00 H new ATOM 0 HD3 ARG A 103 14.932 -2.647 -9.965 1.00 0.00 H new ATOM 0 HE ARG A 103 15.324 -0.562 -11.869 1.00 0.00 H new ATOM 0 HH11 ARG A 103 17.377 -2.853 -10.104 1.00 0.00 H new ATOM 0 HH12 ARG A 103 18.611 -2.790 -11.366 1.00 0.00 H new ATOM 0 HH21 ARG A 103 16.862 -0.540 -13.347 1.00 0.00 H new ATOM 0 HH22 ARG A 103 18.326 -1.512 -13.157 1.00 0.00 H new ATOM 1313 N LYS A 104 15.363 -0.018 -7.006 1.00 0.00 N ATOM 1314 CA LYS A 104 16.704 -0.042 -6.401 1.00 0.00 C ATOM 1315 C LYS A 104 16.666 0.144 -4.873 1.00 0.00 C ATOM 1316 O LYS A 104 17.541 -0.368 -4.175 1.00 0.00 O ATOM 1317 CB LYS A 104 17.522 1.042 -7.125 1.00 0.00 C ATOM 1318 CG LYS A 104 18.982 1.156 -6.662 1.00 0.00 C ATOM 1319 CD LYS A 104 19.836 1.999 -7.624 1.00 0.00 C ATOM 1320 CE LYS A 104 19.225 3.380 -7.920 1.00 0.00 C ATOM 1321 NZ LYS A 104 20.143 4.214 -8.746 1.00 0.00 N ATOM 0 H LYS A 104 15.244 0.775 -7.637 1.00 0.00 H new ATOM 0 HA LYS A 104 17.173 -1.018 -6.529 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.509 0.835 -8.195 1.00 0.00 H new ATOM 0 HB3 LYS A 104 17.032 2.005 -6.981 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.012 1.602 -5.668 1.00 0.00 H new ATOM 0 HG3 LYS A 104 19.413 0.158 -6.577 1.00 0.00 H new ATOM 0 HD2 LYS A 104 20.830 2.132 -7.197 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.962 1.455 -8.560 1.00 0.00 H new ATOM 0 HE2 LYS A 104 18.276 3.256 -8.441 1.00 0.00 H new ATOM 0 HE3 LYS A 104 19.009 3.893 -6.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 19.703 5.138 -8.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 21.039 4.352 -8.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 20.329 3.735 -9.650 1.00 0.00 H new ATOM 1335 N ASN A 105 15.638 0.826 -4.354 1.00 0.00 N ATOM 1336 CA ASN A 105 15.372 0.974 -2.915 1.00 0.00 C ATOM 1337 C ASN A 105 14.307 -0.018 -2.387 1.00 0.00 C ATOM 1338 O ASN A 105 14.653 -0.936 -1.640 1.00 0.00 O ATOM 1339 CB ASN A 105 15.027 2.442 -2.641 1.00 0.00 C ATOM 1340 CG ASN A 105 14.683 2.701 -1.183 1.00 0.00 C ATOM 1341 OD1 ASN A 105 13.526 2.725 -0.800 1.00 0.00 O ATOM 1342 ND2 ASN A 105 15.658 2.911 -0.331 1.00 0.00 N ATOM 0 H ASN A 105 14.950 1.303 -4.937 1.00 0.00 H new ATOM 0 HA ASN A 105 16.268 0.709 -2.354 1.00 0.00 H new ATOM 0 HB2 ASN A 105 15.871 3.069 -2.928 1.00 0.00 H new ATOM 0 HB3 ASN A 105 14.184 2.736 -3.267 1.00 0.00 H new ATOM 0 HD21 ASN A 105 15.447 3.094 0.650 1.00 0.00 H new ATOM 0 HD22 ASN A 105 16.627 2.891 -0.650 1.00 0.00 H new