USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 781 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 80 ASN : amide:sc= -1.42 X(o=-0.92,f=-0.87) USER MOD Set 1.2: A 82 LYS NZ :NH3+ -117:sc= 0.501 (180deg=0.0122) USER MOD Set 2.1: A 4 GLN : amide:sc= -5.87! C(o=-7.4!,f=-5.4!) USER MOD Set 2.2: A 26 TYR OH : rot -110:sc= -1.57! USER MOD Single : A 3 THR OG1 : rot 82:sc= 0.0132 USER MOD Single : A 6 LYS NZ :NH3+ -132:sc= -0.627 (180deg=-2.65!) USER MOD Single : A 7 THR OG1 : rot -83:sc= 1.23 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 91:sc= 1.33 USER MOD Single : A 17 GLN : amide:sc= -1.33 K(o=-1.3,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 55:sc= 0.863 USER MOD Single : A 30 CYS SG : rot -150:sc= -1.13 USER MOD Single : A 33 CYS SG : rot -84:sc= 0.622 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -158:sc= -0.136 (180deg=-0.82) USER MOD Single : A 39 MET CE :methyl 170:sc= -5.26! (180deg=-6.05!) USER MOD Single : A 42 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0651) USER MOD Single : A 44 SER OG : rot 153:sc= 0.219 USER MOD Single : A 46 GLN : amide:sc= -0.427 X(o=-0.43,f=-0.11) USER MOD Single : A 47 TYR OH : rot -110:sc= -3.43! USER MOD Single : A 49 GLN : amide:sc= -0.715 K(o=-0.71,f=-1.9!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -2.16! K(o=-2.2!,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 151:sc= 1.1 (180deg=-0.128) USER MOD Single : A 67 ASN : amide:sc= -8.24! C(o=-8.2!,f=-6.6!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 179:sc= -3.25! (180deg=-3.36!) USER MOD Single : A 74 THR OG1 : rot 88:sc= -0.11 USER MOD Single : A 79 LYS NZ :NH3+ -166:sc= 1.22 (180deg=1.18) USER MOD Single : A 86 LYS NZ :NH3+ -125:sc= 1.09 (180deg=-1.38) USER MOD Single : A 91 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.21) USER MOD Single : A 96 LYS NZ :NH3+ 161:sc= -0.0537 (180deg=-0.399) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 102 ASN : amide:sc= -2.64 K(o=-2.6,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -3.710 -3.931 9.316 1.00 0.00 N ATOM 21 CA VAL A 2 -2.597 -3.789 8.393 1.00 0.00 C ATOM 22 C VAL A 2 -1.328 -3.384 9.150 1.00 0.00 C ATOM 23 O VAL A 2 -1.379 -2.565 10.066 1.00 0.00 O ATOM 24 CB VAL A 2 -2.960 -2.760 7.302 1.00 0.00 C ATOM 25 CG1 VAL A 2 -1.760 -2.420 6.446 1.00 0.00 C ATOM 26 CG2 VAL A 2 -4.090 -3.293 6.435 1.00 0.00 C ATOM 0 HA VAL A 2 -2.398 -4.745 7.909 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.289 -1.846 7.797 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.049 -1.693 5.687 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.974 -1.998 7.072 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.391 -3.324 5.961 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.338 -2.559 5.669 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.776 -4.222 5.959 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.967 -3.481 7.055 1.00 0.00 H new ATOM 36 N THR A 3 -0.201 -3.977 8.772 1.00 0.00 N ATOM 37 CA THR A 3 1.042 -3.842 9.528 1.00 0.00 C ATOM 38 C THR A 3 1.885 -2.655 9.063 1.00 0.00 C ATOM 39 O THR A 3 2.122 -2.460 7.876 1.00 0.00 O ATOM 40 CB THR A 3 1.867 -5.139 9.417 1.00 0.00 C ATOM 41 OG1 THR A 3 1.038 -6.266 9.737 1.00 0.00 O ATOM 42 CG2 THR A 3 3.071 -5.113 10.350 1.00 0.00 C ATOM 0 H THR A 3 -0.121 -4.561 7.940 1.00 0.00 H new ATOM 0 HA THR A 3 0.767 -3.659 10.567 1.00 0.00 H new ATOM 0 HB THR A 3 2.231 -5.222 8.393 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.514 -6.521 8.949 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.631 -6.042 10.247 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.714 -4.271 10.091 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.731 -5.007 11.380 1.00 0.00 H new ATOM 50 N GLN A 4 2.327 -1.870 10.032 1.00 0.00 N ATOM 51 CA GLN A 4 3.188 -0.720 9.796 1.00 0.00 C ATOM 52 C GLN A 4 4.589 -1.138 9.342 1.00 0.00 C ATOM 53 O GLN A 4 5.169 -2.086 9.872 1.00 0.00 O ATOM 54 CB GLN A 4 3.305 0.076 11.093 1.00 0.00 C ATOM 55 CG GLN A 4 2.108 0.962 11.400 1.00 0.00 C ATOM 56 CD GLN A 4 1.851 1.991 10.320 1.00 0.00 C ATOM 57 OE1 GLN A 4 0.725 2.449 10.133 1.00 0.00 O ATOM 58 NE2 GLN A 4 2.887 2.344 9.583 1.00 0.00 N ATOM 0 H GLN A 4 2.096 -2.014 11.015 1.00 0.00 H new ATOM 0 HA GLN A 4 2.744 -0.119 9.002 1.00 0.00 H new ATOM 0 HB2 GLN A 4 3.447 -0.620 11.920 1.00 0.00 H new ATOM 0 HB3 GLN A 4 4.198 0.699 11.043 1.00 0.00 H new ATOM 0 HG2 GLN A 4 1.222 0.339 11.521 1.00 0.00 H new ATOM 0 HG3 GLN A 4 2.272 1.471 12.350 1.00 0.00 H new ATOM 0 HE21 GLN A 4 3.806 1.942 9.769 1.00 0.00 H new ATOM 0 HE22 GLN A 4 2.769 3.019 8.827 1.00 0.00 H new ATOM 67 N PHE A 5 5.116 -0.426 8.352 1.00 0.00 N ATOM 68 CA PHE A 5 6.520 -0.546 7.968 1.00 0.00 C ATOM 69 C PHE A 5 7.375 0.322 8.870 1.00 0.00 C ATOM 70 O PHE A 5 6.856 1.132 9.641 1.00 0.00 O ATOM 71 CB PHE A 5 6.749 -0.081 6.534 1.00 0.00 C ATOM 72 CG PHE A 5 6.407 -1.078 5.465 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.643 -2.431 5.642 1.00 0.00 C ATOM 74 CD2 PHE A 5 5.869 -0.648 4.262 1.00 0.00 C ATOM 75 CE1 PHE A 5 6.346 -3.334 4.643 1.00 0.00 C ATOM 76 CE2 PHE A 5 5.574 -1.547 3.259 1.00 0.00 C ATOM 77 CZ PHE A 5 5.814 -2.891 3.448 1.00 0.00 C ATOM 0 H PHE A 5 4.588 0.246 7.796 1.00 0.00 H new ATOM 0 HA PHE A 5 6.791 -1.598 8.058 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.161 0.821 6.366 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.797 0.197 6.424 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.064 -2.783 6.572 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.679 0.404 4.108 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.529 -4.387 4.795 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.155 -1.198 2.326 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.586 -3.597 2.663 1.00 0.00 H new ATOM 87 N LYS A 6 8.688 0.163 8.764 1.00 0.00 N ATOM 88 CA LYS A 6 9.601 0.979 9.543 1.00 0.00 C ATOM 89 C LYS A 6 10.567 1.730 8.637 1.00 0.00 C ATOM 90 O LYS A 6 10.849 2.907 8.859 1.00 0.00 O ATOM 91 CB LYS A 6 10.390 0.106 10.516 1.00 0.00 C ATOM 92 CG LYS A 6 9.529 -0.897 11.259 1.00 0.00 C ATOM 93 CD LYS A 6 10.343 -1.812 12.170 1.00 0.00 C ATOM 94 CE LYS A 6 10.920 -1.080 13.378 1.00 0.00 C ATOM 95 NZ LYS A 6 12.168 -0.333 13.057 1.00 0.00 N ATOM 0 H LYS A 6 9.138 -0.517 8.152 1.00 0.00 H new ATOM 0 HA LYS A 6 9.010 1.704 10.103 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.165 -0.428 9.967 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.895 0.746 11.239 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.789 -0.363 11.855 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.981 -1.503 10.538 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.711 -2.630 12.514 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.157 -2.257 11.597 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.175 -0.385 13.766 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.126 -1.801 14.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.893 -0.544 13.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.513 -0.621 12.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.971 0.688 13.055 1.00 0.00 H new ATOM 109 N THR A 7 11.063 1.053 7.608 1.00 0.00 N ATOM 110 CA THR A 7 11.973 1.679 6.652 1.00 0.00 C ATOM 111 C THR A 7 11.670 1.217 5.231 1.00 0.00 C ATOM 112 O THR A 7 10.766 0.402 5.018 1.00 0.00 O ATOM 113 CB THR A 7 13.457 1.369 6.963 1.00 0.00 C ATOM 114 OG1 THR A 7 13.707 -0.037 6.845 1.00 0.00 O ATOM 115 CG2 THR A 7 13.842 1.835 8.357 1.00 0.00 C ATOM 0 H THR A 7 10.852 0.074 7.413 1.00 0.00 H new ATOM 0 HA THR A 7 11.815 2.754 6.740 1.00 0.00 H new ATOM 0 HB THR A 7 14.064 1.911 6.238 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.444 -0.487 7.675 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.890 1.602 8.542 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.691 2.912 8.435 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.221 1.327 9.095 1.00 0.00 H new ATOM 123 N ALA A 8 12.422 1.728 4.263 1.00 0.00 N ATOM 124 CA ALA A 8 12.260 1.302 2.880 1.00 0.00 C ATOM 125 C ALA A 8 12.661 -0.159 2.721 1.00 0.00 C ATOM 126 O ALA A 8 12.154 -0.861 1.846 1.00 0.00 O ATOM 127 CB ALA A 8 13.068 2.179 1.942 1.00 0.00 C ATOM 0 H ALA A 8 13.145 2.433 4.409 1.00 0.00 H new ATOM 0 HA ALA A 8 11.207 1.405 2.616 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.929 1.839 0.916 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.732 3.212 2.031 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.124 2.117 2.205 1.00 0.00 H new ATOM 133 N SER A 9 13.569 -0.612 3.581 1.00 0.00 N ATOM 134 CA SER A 9 13.983 -2.005 3.591 1.00 0.00 C ATOM 135 C SER A 9 12.773 -2.892 3.853 1.00 0.00 C ATOM 136 O SER A 9 12.558 -3.885 3.156 1.00 0.00 O ATOM 137 CB SER A 9 15.064 -2.235 4.654 1.00 0.00 C ATOM 138 OG SER A 9 15.611 -3.542 4.565 1.00 0.00 O ATOM 0 H SER A 9 14.031 -0.030 4.280 1.00 0.00 H new ATOM 0 HA SER A 9 14.407 -2.261 2.620 1.00 0.00 H new ATOM 0 HB2 SER A 9 15.858 -1.498 4.533 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.638 -2.084 5.646 1.00 0.00 H new ATOM 0 HG SER A 9 16.298 -3.657 5.255 1.00 0.00 H new ATOM 144 N GLU A 10 11.982 -2.520 4.858 1.00 0.00 N ATOM 145 CA GLU A 10 10.719 -3.173 5.134 1.00 0.00 C ATOM 146 C GLU A 10 9.834 -3.216 3.895 1.00 0.00 C ATOM 147 O GLU A 10 9.234 -4.250 3.596 1.00 0.00 O ATOM 148 CB GLU A 10 10.002 -2.440 6.260 1.00 0.00 C ATOM 149 CG GLU A 10 10.486 -2.825 7.643 1.00 0.00 C ATOM 150 CD GLU A 10 11.955 -2.554 7.870 1.00 0.00 C ATOM 151 OE1 GLU A 10 12.785 -3.421 7.539 1.00 0.00 O ATOM 152 OE2 GLU A 10 12.282 -1.466 8.380 1.00 0.00 O ATOM 0 H GLU A 10 12.205 -1.758 5.499 1.00 0.00 H new ATOM 0 HA GLU A 10 10.923 -4.201 5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.134 -1.367 6.124 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.933 -2.641 6.190 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.906 -2.279 8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.292 -3.885 7.804 1.00 0.00 H new ATOM 159 N PHE A 11 9.760 -2.095 3.172 1.00 0.00 N ATOM 160 CA PHE A 11 8.936 -2.030 1.971 1.00 0.00 C ATOM 161 C PHE A 11 9.413 -3.072 0.960 1.00 0.00 C ATOM 162 O PHE A 11 8.679 -3.999 0.629 1.00 0.00 O ATOM 163 CB PHE A 11 8.964 -0.611 1.367 1.00 0.00 C ATOM 164 CG PHE A 11 7.915 -0.355 0.307 1.00 0.00 C ATOM 165 CD1 PHE A 11 8.040 -0.908 -0.955 1.00 0.00 C ATOM 166 CD2 PHE A 11 6.816 0.459 0.567 1.00 0.00 C ATOM 167 CE1 PHE A 11 7.095 -0.663 -1.934 1.00 0.00 C ATOM 168 CE2 PHE A 11 5.863 0.706 -0.417 1.00 0.00 C ATOM 169 CZ PHE A 11 6.010 0.144 -1.664 1.00 0.00 C ATOM 0 H PHE A 11 10.256 -1.232 3.397 1.00 0.00 H new ATOM 0 HA PHE A 11 7.903 -2.253 2.236 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.834 0.114 2.170 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.949 -0.434 0.935 1.00 0.00 H new ATOM 0 HD1 PHE A 11 8.887 -1.540 -1.178 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.701 0.904 1.544 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.207 -1.105 -2.913 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.012 1.336 -0.203 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.275 0.335 -2.432 1.00 0.00 H new ATOM 179 N ASP A 12 10.667 -2.940 0.531 1.00 0.00 N ATOM 180 CA ASP A 12 11.262 -3.846 -0.467 1.00 0.00 C ATOM 181 C ASP A 12 11.134 -5.313 -0.055 1.00 0.00 C ATOM 182 O ASP A 12 10.881 -6.180 -0.895 1.00 0.00 O ATOM 183 CB ASP A 12 12.750 -3.539 -0.681 1.00 0.00 C ATOM 184 CG ASP A 12 13.018 -2.253 -1.440 1.00 0.00 C ATOM 185 OD1 ASP A 12 12.489 -2.088 -2.561 1.00 0.00 O ATOM 186 OD2 ASP A 12 13.794 -1.413 -0.929 1.00 0.00 O ATOM 0 H ASP A 12 11.300 -2.210 0.858 1.00 0.00 H new ATOM 0 HA ASP A 12 10.709 -3.681 -1.392 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.241 -3.483 0.291 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.206 -4.368 -1.222 1.00 0.00 H new ATOM 191 N SER A 13 11.324 -5.590 1.231 1.00 0.00 N ATOM 192 CA SER A 13 11.275 -6.959 1.732 1.00 0.00 C ATOM 193 C SER A 13 9.881 -7.559 1.563 1.00 0.00 C ATOM 194 O SER A 13 9.739 -8.699 1.117 1.00 0.00 O ATOM 195 CB SER A 13 11.704 -7.003 3.199 1.00 0.00 C ATOM 196 OG SER A 13 13.016 -6.490 3.357 1.00 0.00 O ATOM 0 H SER A 13 11.513 -4.886 1.944 1.00 0.00 H new ATOM 0 HA SER A 13 11.970 -7.559 1.145 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.007 -6.423 3.804 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.664 -8.030 3.563 1.00 0.00 H new ATOM 0 HG SER A 13 12.971 -5.528 3.540 1.00 0.00 H new ATOM 202 N ALA A 14 8.854 -6.790 1.907 1.00 0.00 N ATOM 203 CA ALA A 14 7.483 -7.239 1.738 1.00 0.00 C ATOM 204 C ALA A 14 7.158 -7.400 0.259 1.00 0.00 C ATOM 205 O ALA A 14 6.398 -8.285 -0.133 1.00 0.00 O ATOM 206 CB ALA A 14 6.517 -6.261 2.389 1.00 0.00 C ATOM 0 H ALA A 14 8.948 -5.855 2.304 1.00 0.00 H new ATOM 0 HA ALA A 14 7.374 -8.207 2.226 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.495 -6.614 2.252 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.736 -6.188 3.454 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.627 -5.280 1.928 1.00 0.00 H new ATOM 212 N ILE A 15 7.761 -6.543 -0.554 1.00 0.00 N ATOM 213 CA ILE A 15 7.554 -6.551 -1.996 1.00 0.00 C ATOM 214 C ILE A 15 8.043 -7.849 -2.624 1.00 0.00 C ATOM 215 O ILE A 15 7.415 -8.385 -3.536 1.00 0.00 O ATOM 216 CB ILE A 15 8.294 -5.383 -2.671 1.00 0.00 C ATOM 217 CG1 ILE A 15 7.842 -4.045 -2.118 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.093 -5.396 -4.166 1.00 0.00 C ATOM 219 CD1 ILE A 15 6.344 -3.922 -1.931 1.00 0.00 C ATOM 0 H ILE A 15 8.408 -5.823 -0.232 1.00 0.00 H new ATOM 0 HA ILE A 15 6.480 -6.451 -2.154 1.00 0.00 H new ATOM 0 HB ILE A 15 9.354 -5.516 -2.453 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.331 -3.878 -1.158 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.179 -3.255 -2.789 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.629 -4.558 -4.612 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.475 -6.331 -4.576 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.030 -5.308 -4.391 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.107 -2.936 -1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.845 -4.055 -2.891 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.000 -4.687 -1.235 1.00 0.00 H new ATOM 231 N ALA A 16 9.160 -8.354 -2.112 1.00 0.00 N ATOM 232 CA ALA A 16 9.849 -9.500 -2.706 1.00 0.00 C ATOM 233 C ALA A 16 9.096 -10.811 -2.506 1.00 0.00 C ATOM 234 O ALA A 16 9.595 -11.885 -2.848 1.00 0.00 O ATOM 235 CB ALA A 16 11.248 -9.608 -2.132 1.00 0.00 C ATOM 0 H ALA A 16 9.614 -7.984 -1.277 1.00 0.00 H new ATOM 0 HA ALA A 16 9.898 -9.327 -3.781 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.759 -10.462 -2.576 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.804 -8.697 -2.354 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.189 -9.742 -1.052 1.00 0.00 H new ATOM 241 N GLN A 17 7.900 -10.722 -1.966 1.00 0.00 N ATOM 242 CA GLN A 17 7.071 -11.874 -1.739 1.00 0.00 C ATOM 243 C GLN A 17 6.302 -12.239 -3.007 1.00 0.00 C ATOM 244 O GLN A 17 5.845 -11.362 -3.740 1.00 0.00 O ATOM 245 CB GLN A 17 6.126 -11.565 -0.590 1.00 0.00 C ATOM 246 CG GLN A 17 6.825 -11.496 0.758 1.00 0.00 C ATOM 247 CD GLN A 17 5.898 -11.116 1.899 1.00 0.00 C ATOM 248 OE1 GLN A 17 6.072 -11.573 3.029 1.00 0.00 O ATOM 249 NE2 GLN A 17 4.933 -10.249 1.630 1.00 0.00 N ATOM 0 H GLN A 17 7.478 -9.841 -1.672 1.00 0.00 H new ATOM 0 HA GLN A 17 7.687 -12.734 -1.478 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.628 -10.615 -0.783 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.350 -12.329 -0.551 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.278 -12.464 0.974 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.636 -10.770 0.702 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.819 -9.891 0.682 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.305 -9.939 2.371 1.00 0.00 H new ATOM 258 N ASP A 18 6.155 -13.537 -3.256 1.00 0.00 N ATOM 259 CA ASP A 18 5.510 -14.030 -4.474 1.00 0.00 C ATOM 260 C ASP A 18 3.988 -13.993 -4.369 1.00 0.00 C ATOM 261 O ASP A 18 3.294 -14.833 -4.940 1.00 0.00 O ATOM 262 CB ASP A 18 5.967 -15.459 -4.786 1.00 0.00 C ATOM 263 CG ASP A 18 7.372 -15.523 -5.348 1.00 0.00 C ATOM 264 OD1 ASP A 18 8.330 -15.625 -4.556 1.00 0.00 O ATOM 265 OD2 ASP A 18 7.526 -15.489 -6.589 1.00 0.00 O ATOM 0 H ASP A 18 6.476 -14.273 -2.627 1.00 0.00 H new ATOM 0 HA ASP A 18 5.810 -13.366 -5.284 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.918 -16.057 -3.876 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.276 -15.908 -5.499 1.00 0.00 H new ATOM 270 N LYS A 19 3.478 -13.019 -3.638 1.00 0.00 N ATOM 271 CA LYS A 19 2.044 -12.804 -3.536 1.00 0.00 C ATOM 272 C LYS A 19 1.756 -11.314 -3.617 1.00 0.00 C ATOM 273 O LYS A 19 2.681 -10.510 -3.741 1.00 0.00 O ATOM 274 CB LYS A 19 1.462 -13.399 -2.242 1.00 0.00 C ATOM 275 CG LYS A 19 2.114 -12.905 -0.957 1.00 0.00 C ATOM 276 CD LYS A 19 3.378 -13.683 -0.614 1.00 0.00 C ATOM 277 CE LYS A 19 3.090 -15.158 -0.385 1.00 0.00 C ATOM 278 NZ LYS A 19 4.284 -15.882 0.115 1.00 0.00 N ATOM 0 H LYS A 19 4.040 -12.358 -3.101 1.00 0.00 H new ATOM 0 HA LYS A 19 1.560 -13.319 -4.366 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.397 -13.171 -2.202 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.555 -14.484 -2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.357 -11.847 -1.059 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.403 -12.991 -0.135 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.101 -13.575 -1.422 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.834 -13.259 0.280 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.275 -15.262 0.332 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.754 -15.612 -1.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.047 -16.884 0.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.054 -15.804 -0.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.590 -15.466 1.018 1.00 0.00 H new ATOM 292 N LEU A 20 0.487 -10.950 -3.560 1.00 0.00 N ATOM 293 CA LEU A 20 0.094 -9.558 -3.699 1.00 0.00 C ATOM 294 C LEU A 20 0.425 -8.787 -2.428 1.00 0.00 C ATOM 295 O LEU A 20 -0.027 -9.132 -1.336 1.00 0.00 O ATOM 296 CB LEU A 20 -1.405 -9.466 -4.022 1.00 0.00 C ATOM 297 CG LEU A 20 -1.894 -8.135 -4.615 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.898 -7.029 -3.577 1.00 0.00 C ATOM 299 CD2 LEU A 20 -1.031 -7.735 -5.799 1.00 0.00 C ATOM 0 H LEU A 20 -0.288 -11.598 -3.419 1.00 0.00 H new ATOM 0 HA LEU A 20 0.652 -9.110 -4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.654 -10.264 -4.722 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.965 -9.659 -3.107 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.920 -8.282 -4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.249 -6.103 -4.033 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.560 -7.303 -2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.887 -6.884 -3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.390 -6.791 -6.208 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.003 -7.620 -5.473 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.086 -8.507 -6.567 1.00 0.00 H new ATOM 311 N VAL A 21 1.224 -7.746 -2.579 1.00 0.00 N ATOM 312 CA VAL A 21 1.571 -6.885 -1.465 1.00 0.00 C ATOM 313 C VAL A 21 0.739 -5.612 -1.519 1.00 0.00 C ATOM 314 O VAL A 21 0.905 -4.799 -2.429 1.00 0.00 O ATOM 315 CB VAL A 21 3.062 -6.494 -1.487 1.00 0.00 C ATOM 316 CG1 VAL A 21 3.566 -6.221 -0.079 1.00 0.00 C ATOM 317 CG2 VAL A 21 3.897 -7.560 -2.182 1.00 0.00 C ATOM 0 H VAL A 21 1.646 -7.476 -3.467 1.00 0.00 H new ATOM 0 HA VAL A 21 1.368 -7.441 -0.549 1.00 0.00 H new ATOM 0 HB VAL A 21 3.165 -5.574 -2.062 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.620 -5.947 -0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.994 -5.404 0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.446 -7.117 0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.944 -7.258 -2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.793 -8.507 -1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.553 -7.679 -3.209 1.00 0.00 H new ATOM 327 N VAL A 22 -0.173 -5.452 -0.571 1.00 0.00 N ATOM 328 CA VAL A 22 -0.968 -4.263 -0.482 1.00 0.00 C ATOM 329 C VAL A 22 -0.318 -3.271 0.464 1.00 0.00 C ATOM 330 O VAL A 22 -0.378 -3.431 1.686 1.00 0.00 O ATOM 331 CB VAL A 22 -2.387 -4.584 0.012 1.00 0.00 C ATOM 332 CG1 VAL A 22 -3.317 -4.814 -1.155 1.00 0.00 C ATOM 333 CG2 VAL A 22 -2.398 -5.803 0.921 1.00 0.00 C ATOM 0 H VAL A 22 -0.373 -6.146 0.149 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.035 -3.828 -1.479 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.734 -3.724 0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.317 -5.040 -0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.353 -3.917 -1.774 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.953 -5.651 -1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.418 -6.001 1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.019 -6.667 0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.765 -5.616 1.788 1.00 0.00 H new ATOM 343 N VAL A 23 0.317 -2.256 -0.097 1.00 0.00 N ATOM 344 CA VAL A 23 0.978 -1.263 0.722 1.00 0.00 C ATOM 345 C VAL A 23 0.169 0.014 0.793 1.00 0.00 C ATOM 346 O VAL A 23 -0.170 0.628 -0.223 1.00 0.00 O ATOM 347 CB VAL A 23 2.403 -0.943 0.242 1.00 0.00 C ATOM 348 CG1 VAL A 23 3.050 0.069 1.173 1.00 0.00 C ATOM 349 CG2 VAL A 23 3.234 -2.211 0.174 1.00 0.00 C ATOM 0 H VAL A 23 0.387 -2.101 -1.103 1.00 0.00 H new ATOM 0 HA VAL A 23 1.055 -1.701 1.717 1.00 0.00 H new ATOM 0 HB VAL A 23 2.350 -0.514 -0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.059 0.290 0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.460 0.986 1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.095 -0.342 2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.240 -1.969 -0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.286 -2.665 1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.773 -2.911 -0.523 1.00 0.00 H new ATOM 359 N ALA A 24 -0.129 0.393 2.012 1.00 0.00 N ATOM 360 CA ALA A 24 -0.902 1.582 2.300 1.00 0.00 C ATOM 361 C ALA A 24 0.024 2.750 2.605 1.00 0.00 C ATOM 362 O ALA A 24 0.498 2.894 3.735 1.00 0.00 O ATOM 363 CB ALA A 24 -1.781 1.318 3.508 1.00 0.00 C ATOM 0 H ALA A 24 0.161 -0.121 2.844 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.514 1.830 1.433 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.368 2.209 3.733 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.452 0.486 3.295 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.156 1.069 4.366 1.00 0.00 H new ATOM 369 N PHE A 25 0.296 3.572 1.617 1.00 0.00 N ATOM 370 CA PHE A 25 1.133 4.734 1.829 1.00 0.00 C ATOM 371 C PHE A 25 0.287 5.987 2.007 1.00 0.00 C ATOM 372 O PHE A 25 -0.622 6.257 1.226 1.00 0.00 O ATOM 373 CB PHE A 25 2.101 4.909 0.669 1.00 0.00 C ATOM 374 CG PHE A 25 3.521 4.944 1.115 1.00 0.00 C ATOM 375 CD1 PHE A 25 4.108 6.136 1.497 1.00 0.00 C ATOM 376 CD2 PHE A 25 4.267 3.782 1.165 1.00 0.00 C ATOM 377 CE1 PHE A 25 5.418 6.168 1.916 1.00 0.00 C ATOM 378 CE2 PHE A 25 5.577 3.808 1.584 1.00 0.00 C ATOM 379 CZ PHE A 25 6.153 5.003 1.959 1.00 0.00 C ATOM 0 H PHE A 25 -0.047 3.460 0.663 1.00 0.00 H new ATOM 0 HA PHE A 25 1.707 4.578 2.743 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.966 4.092 -0.040 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.866 5.833 0.140 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.533 7.050 1.466 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.817 2.845 0.872 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.869 7.104 2.211 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.153 2.895 1.619 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.182 5.026 2.287 1.00 0.00 H new ATOM 389 N TYR A 26 0.580 6.742 3.049 1.00 0.00 N ATOM 390 CA TYR A 26 -0.153 7.965 3.342 1.00 0.00 C ATOM 391 C TYR A 26 0.698 8.885 4.203 1.00 0.00 C ATOM 392 O TYR A 26 1.872 8.617 4.413 1.00 0.00 O ATOM 393 CB TYR A 26 -1.474 7.636 4.047 1.00 0.00 C ATOM 394 CG TYR A 26 -1.316 6.767 5.276 1.00 0.00 C ATOM 395 CD1 TYR A 26 -1.060 7.327 6.520 1.00 0.00 C ATOM 396 CD2 TYR A 26 -1.425 5.387 5.186 1.00 0.00 C ATOM 397 CE1 TYR A 26 -0.916 6.534 7.640 1.00 0.00 C ATOM 398 CE2 TYR A 26 -1.285 4.585 6.299 1.00 0.00 C ATOM 399 CZ TYR A 26 -1.026 5.164 7.527 1.00 0.00 C ATOM 400 OH TYR A 26 -0.887 4.379 8.650 1.00 0.00 O ATOM 0 H TYR A 26 1.325 6.530 3.712 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.382 8.475 2.406 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.963 8.567 4.333 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.135 7.133 3.341 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.972 8.399 6.613 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.623 4.932 4.227 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.718 6.984 8.601 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.377 3.512 6.212 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.044 3.882 8.599 1.00 0.00 H new ATOM 410 N ALA A 27 0.111 9.965 4.694 1.00 0.00 N ATOM 411 CA ALA A 27 0.830 10.912 5.535 1.00 0.00 C ATOM 412 C ALA A 27 -0.078 11.425 6.635 1.00 0.00 C ATOM 413 O ALA A 27 -1.248 11.707 6.393 1.00 0.00 O ATOM 414 CB ALA A 27 1.345 12.071 4.701 1.00 0.00 C ATOM 0 H ALA A 27 -0.865 10.209 4.524 1.00 0.00 H new ATOM 0 HA ALA A 27 1.680 10.402 5.988 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.880 12.771 5.342 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.020 11.694 3.932 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.505 12.581 4.229 1.00 0.00 H new ATOM 420 N THR A 28 0.467 11.556 7.838 1.00 0.00 N ATOM 421 CA THR A 28 -0.316 11.978 8.991 1.00 0.00 C ATOM 422 C THR A 28 -0.733 13.447 8.901 1.00 0.00 C ATOM 423 O THR A 28 -1.614 13.891 9.633 1.00 0.00 O ATOM 424 CB THR A 28 0.460 11.731 10.296 1.00 0.00 C ATOM 425 OG1 THR A 28 1.865 11.904 10.065 1.00 0.00 O ATOM 426 CG2 THR A 28 0.195 10.330 10.829 1.00 0.00 C ATOM 0 H THR A 28 1.450 11.375 8.040 1.00 0.00 H new ATOM 0 HA THR A 28 -1.225 11.376 8.994 1.00 0.00 H new ATOM 0 HB THR A 28 0.120 12.452 11.040 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.026 12.788 9.673 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.755 10.180 11.752 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.870 10.212 11.027 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.510 9.594 10.090 1.00 0.00 H new ATOM 434 N TRP A 29 -0.098 14.199 8.007 1.00 0.00 N ATOM 435 CA TRP A 29 -0.488 15.587 7.777 1.00 0.00 C ATOM 436 C TRP A 29 -1.590 15.668 6.727 1.00 0.00 C ATOM 437 O TRP A 29 -2.221 16.708 6.550 1.00 0.00 O ATOM 438 CB TRP A 29 0.715 16.440 7.346 1.00 0.00 C ATOM 439 CG TRP A 29 1.401 15.980 6.088 1.00 0.00 C ATOM 440 CD1 TRP A 29 2.570 15.281 6.007 1.00 0.00 C ATOM 441 CD2 TRP A 29 0.974 16.198 4.732 1.00 0.00 C ATOM 442 NE1 TRP A 29 2.891 15.046 4.694 1.00 0.00 N ATOM 443 CE2 TRP A 29 1.928 15.597 3.893 1.00 0.00 C ATOM 444 CE3 TRP A 29 -0.125 16.839 4.149 1.00 0.00 C ATOM 445 CZ2 TRP A 29 1.818 15.618 2.505 1.00 0.00 C ATOM 446 CZ3 TRP A 29 -0.234 16.857 2.774 1.00 0.00 C ATOM 447 CH2 TRP A 29 0.733 16.249 1.964 1.00 0.00 C ATOM 0 H TRP A 29 0.682 13.875 7.435 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.867 15.984 8.719 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.381 17.468 7.205 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.444 16.450 8.157 1.00 0.00 H new ATOM 0 HD1 TRP A 29 3.158 14.959 6.854 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.715 14.542 4.367 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.875 17.312 4.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.564 15.152 1.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.079 17.348 2.315 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.619 16.279 0.890 1.00 0.00 H new ATOM 458 N CYS A 30 -1.812 14.563 6.034 1.00 0.00 N ATOM 459 CA CYS A 30 -2.786 14.519 4.958 1.00 0.00 C ATOM 460 C CYS A 30 -4.181 14.286 5.526 1.00 0.00 C ATOM 461 O CYS A 30 -4.337 13.655 6.574 1.00 0.00 O ATOM 462 CB CYS A 30 -2.411 13.409 3.971 1.00 0.00 C ATOM 463 SG CYS A 30 -3.537 13.228 2.568 1.00 0.00 S ATOM 0 H CYS A 30 -1.328 13.681 6.199 1.00 0.00 H new ATOM 0 HA CYS A 30 -2.786 15.472 4.430 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.408 13.604 3.591 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.369 12.462 4.510 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.549 11.988 2.179 1.00 0.00 H new ATOM 469 N GLY A 31 -5.187 14.808 4.843 1.00 0.00 N ATOM 470 CA GLY A 31 -6.556 14.635 5.286 1.00 0.00 C ATOM 471 C GLY A 31 -7.110 13.259 4.961 1.00 0.00 C ATOM 472 O GLY A 31 -7.351 12.458 5.865 1.00 0.00 O ATOM 0 H GLY A 31 -5.080 15.351 3.986 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.608 14.798 6.363 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.183 15.394 4.818 1.00 0.00 H new ATOM 476 N PRO A 32 -7.313 12.946 3.668 1.00 0.00 N ATOM 477 CA PRO A 32 -7.915 11.673 3.233 1.00 0.00 C ATOM 478 C PRO A 32 -7.028 10.441 3.465 1.00 0.00 C ATOM 479 O PRO A 32 -7.319 9.361 2.952 1.00 0.00 O ATOM 480 CB PRO A 32 -8.148 11.883 1.735 1.00 0.00 C ATOM 481 CG PRO A 32 -7.170 12.931 1.334 1.00 0.00 C ATOM 482 CD PRO A 32 -7.006 13.827 2.526 1.00 0.00 C ATOM 0 HA PRO A 32 -8.816 11.458 3.808 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.987 10.960 1.178 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.171 12.202 1.536 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.217 12.486 1.048 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.532 13.492 0.472 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.994 14.228 2.590 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.685 14.679 2.483 1.00 0.00 H new ATOM 490 N CYS A 33 -5.962 10.589 4.246 1.00 0.00 N ATOM 491 CA CYS A 33 -5.095 9.460 4.579 1.00 0.00 C ATOM 492 C CYS A 33 -5.874 8.429 5.386 1.00 0.00 C ATOM 493 O CYS A 33 -5.669 7.212 5.272 1.00 0.00 O ATOM 494 CB CYS A 33 -3.888 9.939 5.385 1.00 0.00 C ATOM 495 SG CYS A 33 -4.316 10.767 6.934 1.00 0.00 S ATOM 0 H CYS A 33 -5.677 11.477 4.660 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.744 9.004 3.654 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.250 9.083 5.607 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.302 10.622 4.770 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.588 12.016 6.698 1.00 0.00 H new ATOM 501 N LYS A 34 -6.803 8.940 6.175 1.00 0.00 N ATOM 502 CA LYS A 34 -7.621 8.120 7.040 1.00 0.00 C ATOM 503 C LYS A 34 -8.588 7.266 6.229 1.00 0.00 C ATOM 504 O LYS A 34 -9.239 6.382 6.773 1.00 0.00 O ATOM 505 CB LYS A 34 -8.381 9.007 8.022 1.00 0.00 C ATOM 506 CG LYS A 34 -7.463 9.888 8.860 1.00 0.00 C ATOM 507 CD LYS A 34 -8.233 10.949 9.632 1.00 0.00 C ATOM 508 CE LYS A 34 -8.888 11.956 8.697 1.00 0.00 C ATOM 509 NZ LYS A 34 -9.606 13.024 9.439 1.00 0.00 N ATOM 0 H LYS A 34 -7.009 9.937 6.231 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.971 7.446 7.598 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.077 9.638 7.470 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.977 8.379 8.684 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.904 9.266 9.559 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.734 10.371 8.210 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.997 10.471 10.246 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.557 11.468 10.311 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.127 12.407 8.060 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.587 11.439 8.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.036 13.687 8.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.350 12.598 10.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.935 13.536 10.047 1.00 0.00 H new ATOM 523 N MET A 35 -8.672 7.521 4.920 1.00 0.00 N ATOM 524 CA MET A 35 -9.506 6.705 4.048 1.00 0.00 C ATOM 525 C MET A 35 -8.762 5.412 3.755 1.00 0.00 C ATOM 526 O MET A 35 -9.352 4.337 3.626 1.00 0.00 O ATOM 527 CB MET A 35 -9.800 7.442 2.740 1.00 0.00 C ATOM 528 CG MET A 35 -11.218 7.246 2.207 1.00 0.00 C ATOM 529 SD MET A 35 -11.702 5.513 2.060 1.00 0.00 S ATOM 530 CE MET A 35 -13.098 5.643 0.946 1.00 0.00 C ATOM 0 H MET A 35 -8.177 8.278 4.450 1.00 0.00 H new ATOM 0 HA MET A 35 -10.457 6.496 4.539 1.00 0.00 H new ATOM 0 HB2 MET A 35 -9.626 8.507 2.891 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.091 7.108 1.982 1.00 0.00 H new ATOM 0 HG2 MET A 35 -11.919 7.756 2.868 1.00 0.00 H new ATOM 0 HG3 MET A 35 -11.299 7.721 1.229 1.00 0.00 H new ATOM 0 HE1 MET A 35 -13.735 4.765 1.056 1.00 0.00 H new ATOM 0 HE2 MET A 35 -13.671 6.539 1.184 1.00 0.00 H new ATOM 0 HE3 MET A 35 -12.739 5.704 -0.081 1.00 0.00 H new ATOM 540 N ILE A 36 -7.441 5.529 3.692 1.00 0.00 N ATOM 541 CA ILE A 36 -6.582 4.399 3.404 1.00 0.00 C ATOM 542 C ILE A 36 -6.445 3.504 4.618 1.00 0.00 C ATOM 543 O ILE A 36 -6.198 2.306 4.488 1.00 0.00 O ATOM 544 CB ILE A 36 -5.199 4.876 2.890 1.00 0.00 C ATOM 545 CG1 ILE A 36 -5.170 4.798 1.368 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.051 4.078 3.485 1.00 0.00 C ATOM 547 CD1 ILE A 36 -6.352 5.472 0.724 1.00 0.00 C ATOM 0 H ILE A 36 -6.942 6.407 3.839 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.043 3.810 2.611 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.062 5.908 3.212 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.252 5.259 1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.144 3.752 1.063 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.106 4.452 3.092 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.060 4.182 4.570 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.163 3.027 3.220 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.275 5.383 -0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.272 4.995 1.063 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.366 6.526 1.002 1.00 0.00 H new ATOM 559 N ALA A 37 -6.648 4.077 5.794 1.00 0.00 N ATOM 560 CA ALA A 37 -6.644 3.284 7.013 1.00 0.00 C ATOM 561 C ALA A 37 -7.665 2.128 6.942 1.00 0.00 C ATOM 562 O ALA A 37 -7.263 0.961 6.882 1.00 0.00 O ATOM 563 CB ALA A 37 -6.857 4.161 8.247 1.00 0.00 C ATOM 0 H ALA A 37 -6.815 5.074 5.930 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.658 2.830 7.108 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.849 3.538 9.142 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.057 4.899 8.311 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.817 4.672 8.169 1.00 0.00 H new ATOM 569 N PRO A 38 -8.992 2.400 6.877 1.00 0.00 N ATOM 570 CA PRO A 38 -9.994 1.348 6.994 1.00 0.00 C ATOM 571 C PRO A 38 -10.252 0.614 5.682 1.00 0.00 C ATOM 572 O PRO A 38 -10.473 -0.590 5.693 1.00 0.00 O ATOM 573 CB PRO A 38 -11.258 2.095 7.450 1.00 0.00 C ATOM 574 CG PRO A 38 -10.898 3.550 7.459 1.00 0.00 C ATOM 575 CD PRO A 38 -9.646 3.679 6.644 1.00 0.00 C ATOM 0 HA PRO A 38 -9.668 0.570 7.684 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.090 1.903 6.773 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.571 1.764 8.440 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.702 4.152 7.035 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.737 3.904 8.477 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.863 3.839 5.588 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.031 4.516 6.973 1.00 0.00 H new ATOM 583 N MET A 39 -10.203 1.321 4.550 1.00 0.00 N ATOM 584 CA MET A 39 -10.537 0.710 3.270 1.00 0.00 C ATOM 585 C MET A 39 -9.533 -0.385 2.940 1.00 0.00 C ATOM 586 O MET A 39 -9.886 -1.459 2.460 1.00 0.00 O ATOM 587 CB MET A 39 -10.529 1.780 2.178 1.00 0.00 C ATOM 588 CG MET A 39 -10.501 1.208 0.780 1.00 0.00 C ATOM 589 SD MET A 39 -9.476 2.172 -0.342 1.00 0.00 S ATOM 590 CE MET A 39 -7.998 2.395 0.653 1.00 0.00 C ATOM 0 H MET A 39 -9.938 2.305 4.497 1.00 0.00 H new ATOM 0 HA MET A 39 -11.531 0.266 3.329 1.00 0.00 H new ATOM 0 HB2 MET A 39 -11.413 2.408 2.288 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.661 2.424 2.317 1.00 0.00 H new ATOM 0 HG2 MET A 39 -10.128 0.184 0.818 1.00 0.00 H new ATOM 0 HG3 MET A 39 -11.518 1.163 0.389 1.00 0.00 H new ATOM 0 HE1 MET A 39 -7.205 2.817 0.036 1.00 0.00 H new ATOM 0 HE2 MET A 39 -8.214 3.072 1.479 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.676 1.431 1.048 1.00 0.00 H new ATOM 600 N ILE A 40 -8.283 -0.102 3.238 1.00 0.00 N ATOM 601 CA ILE A 40 -7.199 -1.025 2.985 1.00 0.00 C ATOM 602 C ILE A 40 -7.250 -2.195 3.955 1.00 0.00 C ATOM 603 O ILE A 40 -6.989 -3.339 3.573 1.00 0.00 O ATOM 604 CB ILE A 40 -5.866 -0.264 3.075 1.00 0.00 C ATOM 605 CG1 ILE A 40 -5.238 -0.130 1.697 1.00 0.00 C ATOM 606 CG2 ILE A 40 -4.888 -0.910 4.047 1.00 0.00 C ATOM 607 CD1 ILE A 40 -4.328 1.065 1.586 1.00 0.00 C ATOM 0 H ILE A 40 -7.990 0.777 3.664 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.295 -1.443 1.983 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.091 0.729 3.465 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.673 -1.034 1.470 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.027 -0.051 0.949 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.964 -0.332 4.071 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.328 -0.933 5.044 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.671 -1.928 3.722 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.908 1.110 0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.896 1.974 1.783 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.521 0.976 2.313 1.00 0.00 H new ATOM 619 N GLU A 41 -7.604 -1.915 5.203 1.00 0.00 N ATOM 620 CA GLU A 41 -7.806 -2.985 6.171 1.00 0.00 C ATOM 621 C GLU A 41 -9.001 -3.857 5.767 1.00 0.00 C ATOM 622 O GLU A 41 -9.030 -5.056 6.049 1.00 0.00 O ATOM 623 CB GLU A 41 -7.996 -2.417 7.582 1.00 0.00 C ATOM 624 CG GLU A 41 -6.732 -1.784 8.142 1.00 0.00 C ATOM 625 CD GLU A 41 -6.837 -1.443 9.610 1.00 0.00 C ATOM 626 OE1 GLU A 41 -7.516 -0.456 9.952 1.00 0.00 O ATOM 627 OE2 GLU A 41 -6.226 -2.158 10.436 1.00 0.00 O ATOM 0 H GLU A 41 -7.755 -0.973 5.564 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.914 -3.611 6.180 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.792 -1.672 7.564 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.322 -3.216 8.248 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.895 -2.466 7.993 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.508 -0.877 7.580 1.00 0.00 H new ATOM 634 N LYS A 42 -9.970 -3.252 5.083 1.00 0.00 N ATOM 635 CA LYS A 42 -11.136 -3.978 4.588 1.00 0.00 C ATOM 636 C LYS A 42 -10.750 -4.980 3.500 1.00 0.00 C ATOM 637 O LYS A 42 -11.272 -6.101 3.469 1.00 0.00 O ATOM 638 CB LYS A 42 -12.196 -3.006 4.050 1.00 0.00 C ATOM 639 CG LYS A 42 -12.921 -2.211 5.129 1.00 0.00 C ATOM 640 CD LYS A 42 -13.619 -3.108 6.140 1.00 0.00 C ATOM 641 CE LYS A 42 -14.653 -4.012 5.484 1.00 0.00 C ATOM 642 NZ LYS A 42 -15.747 -3.242 4.837 1.00 0.00 N ATOM 0 H LYS A 42 -9.970 -2.257 4.859 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.556 -4.530 5.429 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.718 -2.310 3.361 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.931 -3.569 3.475 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.206 -1.572 5.647 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.655 -1.555 4.662 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.878 -3.719 6.654 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.105 -2.492 6.897 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.163 -4.639 4.739 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.076 -4.680 6.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.493 -3.895 4.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.144 -2.564 5.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.370 -2.727 4.016 1.00 0.00 H new ATOM 656 N PHE A 43 -9.836 -4.577 2.616 1.00 0.00 N ATOM 657 CA PHE A 43 -9.389 -5.439 1.517 1.00 0.00 C ATOM 658 C PHE A 43 -8.937 -6.801 2.033 1.00 0.00 C ATOM 659 O PHE A 43 -9.541 -7.827 1.717 1.00 0.00 O ATOM 660 CB PHE A 43 -8.235 -4.796 0.734 1.00 0.00 C ATOM 661 CG PHE A 43 -8.575 -3.479 0.108 1.00 0.00 C ATOM 662 CD1 PHE A 43 -9.873 -3.183 -0.262 1.00 0.00 C ATOM 663 CD2 PHE A 43 -7.586 -2.539 -0.110 1.00 0.00 C ATOM 664 CE1 PHE A 43 -10.180 -1.972 -0.840 1.00 0.00 C ATOM 665 CE2 PHE A 43 -7.888 -1.326 -0.688 1.00 0.00 C ATOM 666 CZ PHE A 43 -9.186 -1.044 -1.053 1.00 0.00 C ATOM 0 H PHE A 43 -9.390 -3.660 2.638 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.243 -5.569 0.853 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -7.388 -4.658 1.406 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.913 -5.484 -0.047 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.655 -3.909 -0.096 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.568 -2.757 0.175 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -11.198 -1.751 -1.126 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.109 -0.597 -0.855 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.424 -0.093 -1.507 1.00 0.00 H new ATOM 676 N SER A 44 -7.892 -6.810 2.850 1.00 0.00 N ATOM 677 CA SER A 44 -7.301 -8.059 3.292 1.00 0.00 C ATOM 678 C SER A 44 -8.141 -8.716 4.384 1.00 0.00 C ATOM 679 O SER A 44 -7.920 -9.873 4.736 1.00 0.00 O ATOM 680 CB SER A 44 -5.868 -7.843 3.754 1.00 0.00 C ATOM 681 OG SER A 44 -5.799 -6.860 4.778 1.00 0.00 O ATOM 0 H SER A 44 -7.441 -5.971 3.216 1.00 0.00 H new ATOM 0 HA SER A 44 -7.282 -8.740 2.442 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.456 -8.783 4.121 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.253 -7.534 2.908 1.00 0.00 H new ATOM 0 HG SER A 44 -5.016 -7.030 5.343 1.00 0.00 H new ATOM 687 N GLU A 45 -9.082 -7.967 4.948 1.00 0.00 N ATOM 688 CA GLU A 45 -10.067 -8.559 5.840 1.00 0.00 C ATOM 689 C GLU A 45 -10.852 -9.628 5.088 1.00 0.00 C ATOM 690 O GLU A 45 -11.144 -10.699 5.627 1.00 0.00 O ATOM 691 CB GLU A 45 -11.018 -7.495 6.391 1.00 0.00 C ATOM 692 CG GLU A 45 -12.128 -8.067 7.257 1.00 0.00 C ATOM 693 CD GLU A 45 -12.988 -6.996 7.887 1.00 0.00 C ATOM 694 OE1 GLU A 45 -12.661 -6.551 9.009 1.00 0.00 O ATOM 695 OE2 GLU A 45 -13.997 -6.602 7.275 1.00 0.00 O ATOM 0 H GLU A 45 -9.182 -6.962 4.805 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.547 -9.013 6.684 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.446 -6.775 6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.462 -6.949 5.559 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.755 -8.721 6.651 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.690 -8.683 8.042 1.00 0.00 H new ATOM 702 N GLN A 46 -11.166 -9.337 3.830 1.00 0.00 N ATOM 703 CA GLN A 46 -11.870 -10.280 2.985 1.00 0.00 C ATOM 704 C GLN A 46 -10.893 -11.287 2.402 1.00 0.00 C ATOM 705 O GLN A 46 -11.165 -12.486 2.370 1.00 0.00 O ATOM 706 CB GLN A 46 -12.615 -9.545 1.869 1.00 0.00 C ATOM 707 CG GLN A 46 -13.711 -8.624 2.382 1.00 0.00 C ATOM 708 CD GLN A 46 -14.812 -9.379 3.103 1.00 0.00 C ATOM 709 OE1 GLN A 46 -15.806 -9.780 2.497 1.00 0.00 O ATOM 710 NE2 GLN A 46 -14.643 -9.579 4.399 1.00 0.00 N ATOM 0 H GLN A 46 -10.941 -8.451 3.377 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.603 -10.815 3.590 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.901 -8.960 1.289 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.053 -10.277 1.191 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.276 -7.888 3.058 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -14.140 -8.073 1.545 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -13.805 -9.230 4.864 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -15.351 -10.082 4.934 1.00 0.00 H new ATOM 719 N TYR A 47 -9.742 -10.796 1.963 1.00 0.00 N ATOM 720 CA TYR A 47 -8.722 -11.657 1.391 1.00 0.00 C ATOM 721 C TYR A 47 -7.350 -11.410 2.017 1.00 0.00 C ATOM 722 O TYR A 47 -6.564 -10.595 1.542 1.00 0.00 O ATOM 723 CB TYR A 47 -8.675 -11.480 -0.125 1.00 0.00 C ATOM 724 CG TYR A 47 -8.786 -10.050 -0.600 1.00 0.00 C ATOM 725 CD1 TYR A 47 -7.702 -9.183 -0.557 1.00 0.00 C ATOM 726 CD2 TYR A 47 -9.984 -9.577 -1.113 1.00 0.00 C ATOM 727 CE1 TYR A 47 -7.812 -7.886 -1.007 1.00 0.00 C ATOM 728 CE2 TYR A 47 -10.102 -8.281 -1.562 1.00 0.00 C ATOM 729 CZ TYR A 47 -9.015 -7.442 -1.507 1.00 0.00 C ATOM 730 OH TYR A 47 -9.131 -6.152 -1.950 1.00 0.00 O ATOM 0 H TYR A 47 -9.494 -9.807 1.993 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.990 -12.689 1.615 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.740 -11.900 -0.497 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.484 -12.060 -0.570 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.758 -9.531 -0.165 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.838 -10.236 -1.161 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.961 -7.222 -0.968 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.043 -7.926 -1.955 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.700 -5.644 -1.334 1.00 0.00 H new ATOM 740 N PRO A 48 -7.031 -12.128 3.095 1.00 0.00 N ATOM 741 CA PRO A 48 -5.747 -11.991 3.777 1.00 0.00 C ATOM 742 C PRO A 48 -4.607 -12.638 2.995 1.00 0.00 C ATOM 743 O PRO A 48 -3.461 -12.640 3.440 1.00 0.00 O ATOM 744 CB PRO A 48 -5.976 -12.694 5.107 1.00 0.00 C ATOM 745 CG PRO A 48 -7.001 -13.731 4.805 1.00 0.00 C ATOM 746 CD PRO A 48 -7.895 -13.132 3.750 1.00 0.00 C ATOM 0 HA PRO A 48 -5.446 -10.949 3.889 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -5.056 -13.142 5.483 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -6.327 -11.998 5.869 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.535 -14.649 4.447 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.570 -13.990 5.698 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -8.242 -13.885 3.043 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -8.782 -12.674 4.188 1.00 0.00 H new ATOM 754 N GLN A 49 -4.937 -13.202 1.833 1.00 0.00 N ATOM 755 CA GLN A 49 -3.938 -13.804 0.952 1.00 0.00 C ATOM 756 C GLN A 49 -2.968 -12.752 0.416 1.00 0.00 C ATOM 757 O GLN A 49 -1.925 -13.080 -0.150 1.00 0.00 O ATOM 758 CB GLN A 49 -4.610 -14.549 -0.198 1.00 0.00 C ATOM 759 CG GLN A 49 -5.586 -13.697 -0.947 1.00 0.00 C ATOM 760 CD GLN A 49 -4.958 -12.914 -2.085 1.00 0.00 C ATOM 761 OE1 GLN A 49 -3.972 -13.344 -2.683 1.00 0.00 O ATOM 762 NE2 GLN A 49 -5.534 -11.765 -2.400 1.00 0.00 N ATOM 0 H GLN A 49 -5.892 -13.254 1.480 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.365 -14.521 1.540 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.846 -14.910 -0.887 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.126 -15.425 0.195 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.378 -14.331 -1.346 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.055 -13.000 -0.253 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.350 -11.444 -1.879 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.162 -11.200 -3.164 1.00 0.00 H new ATOM 771 N ALA A 50 -3.319 -11.491 0.612 1.00 0.00 N ATOM 772 CA ALA A 50 -2.438 -10.389 0.273 1.00 0.00 C ATOM 773 C ALA A 50 -1.763 -9.899 1.538 1.00 0.00 C ATOM 774 O ALA A 50 -2.359 -9.944 2.617 1.00 0.00 O ATOM 775 CB ALA A 50 -3.221 -9.253 -0.373 1.00 0.00 C ATOM 0 H ALA A 50 -4.215 -11.206 1.007 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.689 -10.732 -0.441 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.542 -8.437 -0.619 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.701 -9.613 -1.283 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.982 -8.895 0.321 1.00 0.00 H new ATOM 781 N ASP A 51 -0.534 -9.432 1.427 1.00 0.00 N ATOM 782 CA ASP A 51 0.187 -9.005 2.610 1.00 0.00 C ATOM 783 C ASP A 51 -0.038 -7.537 2.877 1.00 0.00 C ATOM 784 O ASP A 51 0.288 -6.678 2.059 1.00 0.00 O ATOM 785 CB ASP A 51 1.681 -9.305 2.520 1.00 0.00 C ATOM 786 CG ASP A 51 2.014 -10.711 2.972 1.00 0.00 C ATOM 787 OD1 ASP A 51 2.187 -10.918 4.194 1.00 0.00 O ATOM 788 OD2 ASP A 51 2.110 -11.611 2.121 1.00 0.00 O ATOM 0 H ASP A 51 -0.023 -9.340 0.549 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.211 -9.582 3.445 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.015 -9.168 1.492 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.230 -8.590 3.132 1.00 0.00 H new ATOM 793 N PHE A 52 -0.586 -7.272 4.047 1.00 0.00 N ATOM 794 CA PHE A 52 -1.037 -5.946 4.421 1.00 0.00 C ATOM 795 C PHE A 52 0.045 -5.153 5.133 1.00 0.00 C ATOM 796 O PHE A 52 0.479 -5.515 6.228 1.00 0.00 O ATOM 797 CB PHE A 52 -2.279 -6.063 5.309 1.00 0.00 C ATOM 798 CG PHE A 52 -2.278 -7.264 6.222 1.00 0.00 C ATOM 799 CD1 PHE A 52 -1.575 -7.252 7.417 1.00 0.00 C ATOM 800 CD2 PHE A 52 -2.991 -8.404 5.883 1.00 0.00 C ATOM 801 CE1 PHE A 52 -1.581 -8.351 8.253 1.00 0.00 C ATOM 802 CE2 PHE A 52 -3.001 -9.506 6.715 1.00 0.00 C ATOM 803 CZ PHE A 52 -2.294 -9.479 7.901 1.00 0.00 C ATOM 0 H PHE A 52 -0.732 -7.976 4.770 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.282 -5.404 3.508 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.365 -5.161 5.915 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.163 -6.105 4.673 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.016 -6.372 7.698 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.545 -8.430 4.957 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.029 -8.328 9.181 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.561 -10.387 6.439 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.299 -10.340 8.553 1.00 0.00 H new ATOM 813 N TYR A 53 0.474 -4.062 4.515 1.00 0.00 N ATOM 814 CA TYR A 53 1.448 -3.181 5.136 1.00 0.00 C ATOM 815 C TYR A 53 1.128 -1.725 4.853 1.00 0.00 C ATOM 816 O TYR A 53 0.466 -1.405 3.873 1.00 0.00 O ATOM 817 CB TYR A 53 2.866 -3.509 4.673 1.00 0.00 C ATOM 818 CG TYR A 53 3.331 -4.904 5.029 1.00 0.00 C ATOM 819 CD1 TYR A 53 3.748 -5.212 6.317 1.00 0.00 C ATOM 820 CD2 TYR A 53 3.360 -5.909 4.071 1.00 0.00 C ATOM 821 CE1 TYR A 53 4.181 -6.483 6.640 1.00 0.00 C ATOM 822 CE2 TYR A 53 3.790 -7.183 4.387 1.00 0.00 C ATOM 823 CZ TYR A 53 4.198 -7.464 5.672 1.00 0.00 C ATOM 824 OH TYR A 53 4.626 -8.732 5.990 1.00 0.00 O ATOM 0 H TYR A 53 0.164 -3.768 3.589 1.00 0.00 H new ATOM 0 HA TYR A 53 1.393 -3.343 6.212 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.920 -3.386 3.591 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.555 -2.786 5.111 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.734 -4.446 7.078 1.00 0.00 H new ATOM 0 HD2 TYR A 53 3.041 -5.691 3.062 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.505 -6.707 7.646 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.806 -7.954 3.631 1.00 0.00 H new ATOM 0 HH TYR A 53 4.575 -9.303 5.195 1.00 0.00 H new ATOM 834 N LYS A 54 1.592 -0.851 5.734 1.00 0.00 N ATOM 835 CA LYS A 54 1.232 0.555 5.687 1.00 0.00 C ATOM 836 C LYS A 54 2.367 1.426 6.225 1.00 0.00 C ATOM 837 O LYS A 54 3.157 0.970 7.050 1.00 0.00 O ATOM 838 CB LYS A 54 -0.041 0.750 6.509 1.00 0.00 C ATOM 839 CG LYS A 54 0.108 0.386 7.977 1.00 0.00 C ATOM 840 CD LYS A 54 -1.240 0.258 8.679 1.00 0.00 C ATOM 841 CE LYS A 54 -2.070 1.526 8.576 1.00 0.00 C ATOM 842 NZ LYS A 54 -3.358 1.408 9.311 1.00 0.00 N ATOM 0 H LYS A 54 2.224 -1.096 6.496 1.00 0.00 H new ATOM 0 HA LYS A 54 1.056 0.858 4.655 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.354 1.791 6.434 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.838 0.146 6.075 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.651 -0.555 8.063 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.706 1.146 8.479 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.796 -0.573 8.244 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.078 0.018 9.730 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.501 2.366 8.974 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.269 1.745 7.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.894 2.294 9.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.913 0.623 8.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.168 1.225 10.317 1.00 0.00 H new ATOM 856 N LEU A 55 2.462 2.667 5.749 1.00 0.00 N ATOM 857 CA LEU A 55 3.490 3.582 6.219 1.00 0.00 C ATOM 858 C LEU A 55 3.099 5.032 5.928 1.00 0.00 C ATOM 859 O LEU A 55 2.412 5.316 4.944 1.00 0.00 O ATOM 860 CB LEU A 55 4.828 3.225 5.556 1.00 0.00 C ATOM 861 CG LEU A 55 6.033 4.078 5.966 1.00 0.00 C ATOM 862 CD1 LEU A 55 7.320 3.286 5.818 1.00 0.00 C ATOM 863 CD2 LEU A 55 6.095 5.319 5.111 1.00 0.00 C ATOM 0 H LEU A 55 1.840 3.057 5.041 1.00 0.00 H new ATOM 0 HA LEU A 55 3.594 3.483 7.300 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.054 2.182 5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.706 3.300 4.475 1.00 0.00 H new ATOM 0 HG LEU A 55 5.918 4.365 7.011 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.166 3.907 6.113 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.279 2.402 6.455 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.441 2.979 4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.954 5.922 5.407 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.195 5.035 4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.182 5.899 5.244 1.00 0.00 H new ATOM 875 N ASP A 56 3.531 5.938 6.798 1.00 0.00 N ATOM 876 CA ASP A 56 3.317 7.362 6.613 1.00 0.00 C ATOM 877 C ASP A 56 4.583 8.050 6.094 1.00 0.00 C ATOM 878 O ASP A 56 5.634 8.022 6.735 1.00 0.00 O ATOM 879 CB ASP A 56 2.868 8.006 7.927 1.00 0.00 C ATOM 880 CG ASP A 56 3.698 7.575 9.123 1.00 0.00 C ATOM 881 OD1 ASP A 56 3.588 6.399 9.537 1.00 0.00 O ATOM 882 OD2 ASP A 56 4.450 8.412 9.664 1.00 0.00 O ATOM 0 H ASP A 56 4.039 5.702 7.650 1.00 0.00 H new ATOM 0 HA ASP A 56 2.532 7.490 5.867 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.921 9.090 7.829 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.823 7.753 8.109 1.00 0.00 H new ATOM 887 N VAL A 57 4.463 8.677 4.924 1.00 0.00 N ATOM 888 CA VAL A 57 5.572 9.377 4.286 1.00 0.00 C ATOM 889 C VAL A 57 5.975 10.604 5.103 1.00 0.00 C ATOM 890 O VAL A 57 7.072 11.143 4.947 1.00 0.00 O ATOM 891 CB VAL A 57 5.186 9.785 2.853 1.00 0.00 C ATOM 892 CG1 VAL A 57 3.889 10.534 2.889 1.00 0.00 C ATOM 893 CG2 VAL A 57 6.271 10.616 2.180 1.00 0.00 C ATOM 0 H VAL A 57 3.593 8.713 4.393 1.00 0.00 H new ATOM 0 HA VAL A 57 6.428 8.704 4.239 1.00 0.00 H new ATOM 0 HB VAL A 57 5.073 8.879 2.257 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.609 10.826 1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.112 9.896 3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.001 11.425 3.506 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.954 10.880 1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.443 11.525 2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.194 10.038 2.130 1.00 0.00 H new ATOM 903 N ASP A 58 5.079 11.013 5.999 1.00 0.00 N ATOM 904 CA ASP A 58 5.334 12.126 6.903 1.00 0.00 C ATOM 905 C ASP A 58 6.659 11.901 7.616 1.00 0.00 C ATOM 906 O ASP A 58 7.525 12.778 7.646 1.00 0.00 O ATOM 907 CB ASP A 58 4.199 12.227 7.926 1.00 0.00 C ATOM 908 CG ASP A 58 4.207 13.523 8.721 1.00 0.00 C ATOM 909 OD1 ASP A 58 5.286 13.964 9.164 1.00 0.00 O ATOM 910 OD2 ASP A 58 3.118 14.107 8.911 1.00 0.00 O ATOM 0 H ASP A 58 4.161 10.583 6.116 1.00 0.00 H new ATOM 0 HA ASP A 58 5.384 13.056 6.336 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.245 12.135 7.407 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.268 11.387 8.617 1.00 0.00 H new ATOM 915 N GLU A 59 6.818 10.703 8.160 1.00 0.00 N ATOM 916 CA GLU A 59 8.056 10.329 8.822 1.00 0.00 C ATOM 917 C GLU A 59 9.043 9.674 7.854 1.00 0.00 C ATOM 918 O GLU A 59 10.233 9.985 7.880 1.00 0.00 O ATOM 919 CB GLU A 59 7.766 9.391 9.991 1.00 0.00 C ATOM 920 CG GLU A 59 7.113 10.084 11.175 1.00 0.00 C ATOM 921 CD GLU A 59 8.050 11.045 11.879 1.00 0.00 C ATOM 922 OE1 GLU A 59 8.786 10.605 12.783 1.00 0.00 O ATOM 923 OE2 GLU A 59 8.055 12.246 11.536 1.00 0.00 O ATOM 0 H GLU A 59 6.104 9.974 8.155 1.00 0.00 H new ATOM 0 HA GLU A 59 8.518 11.242 9.197 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.117 8.585 9.648 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.699 8.931 10.318 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.232 10.627 10.833 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.768 9.333 11.886 1.00 0.00 H new ATOM 930 N LEU A 60 8.566 8.779 6.992 1.00 0.00 N ATOM 931 CA LEU A 60 9.470 8.066 6.090 1.00 0.00 C ATOM 932 C LEU A 60 9.373 8.590 4.653 1.00 0.00 C ATOM 933 O LEU A 60 8.841 7.922 3.753 1.00 0.00 O ATOM 934 CB LEU A 60 9.208 6.556 6.124 1.00 0.00 C ATOM 935 CG LEU A 60 9.513 5.838 7.450 1.00 0.00 C ATOM 936 CD1 LEU A 60 10.861 6.271 8.006 1.00 0.00 C ATOM 937 CD2 LEU A 60 8.405 6.069 8.469 1.00 0.00 C ATOM 0 H LEU A 60 7.581 8.533 6.898 1.00 0.00 H new ATOM 0 HA LEU A 60 10.484 8.251 6.445 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.160 6.386 5.876 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.801 6.089 5.338 1.00 0.00 H new ATOM 0 HG LEU A 60 9.560 4.768 7.245 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.053 5.749 8.943 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.645 6.029 7.289 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.852 7.346 8.185 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.649 5.549 9.396 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.309 7.137 8.666 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.463 5.686 8.075 1.00 0.00 H new ATOM 949 N GLY A 61 9.932 9.775 4.442 1.00 0.00 N ATOM 950 CA GLY A 61 9.874 10.418 3.142 1.00 0.00 C ATOM 951 C GLY A 61 10.716 9.717 2.092 1.00 0.00 C ATOM 952 O GLY A 61 10.269 9.517 0.959 1.00 0.00 O ATOM 0 H GLY A 61 10.430 10.307 5.156 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.838 10.451 2.806 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.210 11.450 3.239 1.00 0.00 H new ATOM 956 N ASP A 62 11.931 9.325 2.465 1.00 0.00 N ATOM 957 CA ASP A 62 12.844 8.676 1.524 1.00 0.00 C ATOM 958 C ASP A 62 12.325 7.304 1.128 1.00 0.00 C ATOM 959 O ASP A 62 12.699 6.760 0.091 1.00 0.00 O ATOM 960 CB ASP A 62 14.257 8.554 2.106 1.00 0.00 C ATOM 961 CG ASP A 62 14.355 7.540 3.229 1.00 0.00 C ATOM 962 OD1 ASP A 62 14.625 6.353 2.946 1.00 0.00 O ATOM 963 OD2 ASP A 62 14.175 7.928 4.402 1.00 0.00 O ATOM 0 H ASP A 62 12.306 9.444 3.406 1.00 0.00 H new ATOM 0 HA ASP A 62 12.895 9.305 0.635 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.948 8.274 1.311 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.576 9.528 2.476 1.00 0.00 H new ATOM 968 N VAL A 63 11.456 6.755 1.952 1.00 0.00 N ATOM 969 CA VAL A 63 10.814 5.496 1.637 1.00 0.00 C ATOM 970 C VAL A 63 9.843 5.696 0.490 1.00 0.00 C ATOM 971 O VAL A 63 9.909 4.993 -0.508 1.00 0.00 O ATOM 972 CB VAL A 63 10.064 4.914 2.844 1.00 0.00 C ATOM 973 CG1 VAL A 63 9.320 3.644 2.458 1.00 0.00 C ATOM 974 CG2 VAL A 63 11.022 4.625 3.985 1.00 0.00 C ATOM 0 H VAL A 63 11.178 7.161 2.845 1.00 0.00 H new ATOM 0 HA VAL A 63 11.594 4.788 1.356 1.00 0.00 H new ATOM 0 HB VAL A 63 9.339 5.657 3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.796 3.250 3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.599 3.869 1.672 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.031 2.902 2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.469 4.213 4.829 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.772 3.905 3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 63 11.514 5.549 4.289 1.00 0.00 H new ATOM 984 N ALA A 64 8.959 6.682 0.630 1.00 0.00 N ATOM 985 CA ALA A 64 7.987 6.998 -0.409 1.00 0.00 C ATOM 986 C ALA A 64 8.660 7.173 -1.762 1.00 0.00 C ATOM 987 O ALA A 64 8.158 6.704 -2.784 1.00 0.00 O ATOM 988 CB ALA A 64 7.233 8.262 -0.053 1.00 0.00 C ATOM 0 H ALA A 64 8.898 7.276 1.457 1.00 0.00 H new ATOM 0 HA ALA A 64 7.290 6.163 -0.476 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.510 8.487 -0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.710 8.120 0.893 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.935 9.090 0.042 1.00 0.00 H new ATOM 994 N GLN A 65 9.812 7.823 -1.747 1.00 0.00 N ATOM 995 CA GLN A 65 10.540 8.124 -2.975 1.00 0.00 C ATOM 996 C GLN A 65 11.072 6.842 -3.594 1.00 0.00 C ATOM 997 O GLN A 65 11.115 6.685 -4.813 1.00 0.00 O ATOM 998 CB GLN A 65 11.685 9.093 -2.673 1.00 0.00 C ATOM 999 CG GLN A 65 13.033 8.435 -2.427 1.00 0.00 C ATOM 1000 CD GLN A 65 14.180 9.421 -2.455 1.00 0.00 C ATOM 1001 OE1 GLN A 65 14.763 9.677 -3.509 1.00 0.00 O ATOM 1002 NE2 GLN A 65 14.521 9.977 -1.305 1.00 0.00 N ATOM 0 H GLN A 65 10.267 8.155 -0.896 1.00 0.00 H new ATOM 0 HA GLN A 65 9.863 8.594 -3.688 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.783 9.788 -3.507 1.00 0.00 H new ATOM 0 HB3 GLN A 65 11.420 9.683 -1.796 1.00 0.00 H new ATOM 0 HG2 GLN A 65 13.016 7.932 -1.460 1.00 0.00 H new ATOM 0 HG3 GLN A 65 13.201 7.668 -3.183 1.00 0.00 H new ATOM 0 HE21 GLN A 65 14.013 9.739 -0.453 1.00 0.00 H new ATOM 0 HE22 GLN A 65 15.292 10.644 -1.270 1.00 0.00 H new ATOM 1011 N LYS A 66 11.470 5.939 -2.722 1.00 0.00 N ATOM 1012 CA LYS A 66 11.932 4.620 -3.106 1.00 0.00 C ATOM 1013 C LYS A 66 10.831 3.853 -3.851 1.00 0.00 C ATOM 1014 O LYS A 66 11.107 3.031 -4.726 1.00 0.00 O ATOM 1015 CB LYS A 66 12.384 3.877 -1.832 1.00 0.00 C ATOM 1016 CG LYS A 66 11.861 2.460 -1.688 1.00 0.00 C ATOM 1017 CD LYS A 66 12.585 1.460 -2.579 1.00 0.00 C ATOM 1018 CE LYS A 66 14.064 1.377 -2.254 1.00 0.00 C ATOM 1019 NZ LYS A 66 14.705 0.211 -2.915 1.00 0.00 N ATOM 0 H LYS A 66 11.482 6.102 -1.715 1.00 0.00 H new ATOM 0 HA LYS A 66 12.775 4.701 -3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.473 3.848 -1.815 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.067 4.454 -0.963 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.958 2.148 -0.648 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.798 2.446 -1.927 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.132 0.475 -2.462 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.459 1.747 -3.623 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.559 2.294 -2.573 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.196 1.302 -1.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.706 0.424 -3.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.637 -0.621 -2.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.222 0.013 -3.814 1.00 0.00 H new ATOM 1033 N ASN A 67 9.584 4.171 -3.533 1.00 0.00 N ATOM 1034 CA ASN A 67 8.452 3.398 -4.001 1.00 0.00 C ATOM 1035 C ASN A 67 7.750 4.091 -5.141 1.00 0.00 C ATOM 1036 O ASN A 67 6.898 3.495 -5.800 1.00 0.00 O ATOM 1037 CB ASN A 67 7.457 3.258 -2.879 1.00 0.00 C ATOM 1038 CG ASN A 67 8.073 2.807 -1.592 1.00 0.00 C ATOM 1039 OD1 ASN A 67 8.928 1.931 -1.558 1.00 0.00 O ATOM 1040 ND2 ASN A 67 7.668 3.454 -0.526 1.00 0.00 N ATOM 0 H ASN A 67 9.334 4.967 -2.947 1.00 0.00 H new ATOM 0 HA ASN A 67 8.823 2.429 -4.336 1.00 0.00 H new ATOM 0 HB2 ASN A 67 6.962 4.216 -2.720 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.686 2.546 -3.174 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.069 3.236 0.386 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.952 4.176 -0.609 1.00 0.00 H new ATOM 1047 N GLU A 68 8.095 5.362 -5.330 1.00 0.00 N ATOM 1048 CA GLU A 68 7.487 6.211 -6.344 1.00 0.00 C ATOM 1049 C GLU A 68 6.130 6.750 -5.871 1.00 0.00 C ATOM 1050 O GLU A 68 5.298 7.181 -6.671 1.00 0.00 O ATOM 1051 CB GLU A 68 7.338 5.461 -7.671 1.00 0.00 C ATOM 1052 CG GLU A 68 6.980 6.344 -8.860 1.00 0.00 C ATOM 1053 CD GLU A 68 8.085 7.317 -9.217 1.00 0.00 C ATOM 1054 OE1 GLU A 68 8.363 8.240 -8.421 1.00 0.00 O ATOM 1055 OE2 GLU A 68 8.692 7.160 -10.298 1.00 0.00 O ATOM 0 H GLU A 68 8.811 5.833 -4.777 1.00 0.00 H new ATOM 0 HA GLU A 68 8.150 7.060 -6.507 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.272 4.943 -7.888 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.569 4.697 -7.557 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.763 5.714 -9.723 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.070 6.900 -8.634 1.00 0.00 H new ATOM 1062 N VAL A 69 5.906 6.735 -4.565 1.00 0.00 N ATOM 1063 CA VAL A 69 4.724 7.375 -4.014 1.00 0.00 C ATOM 1064 C VAL A 69 5.067 8.789 -3.563 1.00 0.00 C ATOM 1065 O VAL A 69 5.952 8.996 -2.737 1.00 0.00 O ATOM 1066 CB VAL A 69 4.043 6.567 -2.864 1.00 0.00 C ATOM 1067 CG1 VAL A 69 5.034 5.782 -2.018 1.00 0.00 C ATOM 1068 CG2 VAL A 69 3.215 7.487 -1.977 1.00 0.00 C ATOM 0 H VAL A 69 6.517 6.294 -3.878 1.00 0.00 H new ATOM 0 HA VAL A 69 3.985 7.411 -4.815 1.00 0.00 H new ATOM 0 HB VAL A 69 3.390 5.840 -3.347 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.498 5.243 -1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.568 5.071 -2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.747 6.469 -1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.749 6.904 -1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.861 8.248 -1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.441 7.969 -2.575 1.00 0.00 H new ATOM 1078 N SER A 70 4.396 9.763 -4.154 1.00 0.00 N ATOM 1079 CA SER A 70 4.636 11.160 -3.834 1.00 0.00 C ATOM 1080 C SER A 70 3.315 11.897 -3.648 1.00 0.00 C ATOM 1081 O SER A 70 3.281 13.121 -3.518 1.00 0.00 O ATOM 1082 CB SER A 70 5.470 11.805 -4.941 1.00 0.00 C ATOM 1083 OG SER A 70 6.670 11.073 -5.149 1.00 0.00 O ATOM 0 H SER A 70 3.677 9.611 -4.862 1.00 0.00 H new ATOM 0 HA SER A 70 5.190 11.224 -2.897 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.893 11.840 -5.865 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.707 12.835 -4.673 1.00 0.00 H new ATOM 0 HG SER A 70 7.193 11.497 -5.861 1.00 0.00 H new ATOM 1089 N ALA A 71 2.232 11.136 -3.636 1.00 0.00 N ATOM 1090 CA ALA A 71 0.907 11.679 -3.401 1.00 0.00 C ATOM 1091 C ALA A 71 0.281 10.985 -2.202 1.00 0.00 C ATOM 1092 O ALA A 71 0.633 9.848 -1.886 1.00 0.00 O ATOM 1093 CB ALA A 71 0.034 11.512 -4.634 1.00 0.00 C ATOM 0 H ALA A 71 2.248 10.128 -3.789 1.00 0.00 H new ATOM 0 HA ALA A 71 0.990 12.746 -3.192 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.955 11.925 -4.438 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.487 12.038 -5.474 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.056 10.453 -4.875 1.00 0.00 H new ATOM 1099 N MET A 72 -0.630 11.662 -1.526 1.00 0.00 N ATOM 1100 CA MET A 72 -1.237 11.107 -0.328 1.00 0.00 C ATOM 1101 C MET A 72 -2.757 11.200 -0.395 1.00 0.00 C ATOM 1102 O MET A 72 -3.305 12.253 -0.720 1.00 0.00 O ATOM 1103 CB MET A 72 -0.734 11.829 0.930 1.00 0.00 C ATOM 1104 CG MET A 72 0.778 11.808 1.106 1.00 0.00 C ATOM 1105 SD MET A 72 1.625 13.020 0.072 1.00 0.00 S ATOM 1106 CE MET A 72 3.334 12.652 0.455 1.00 0.00 C ATOM 0 H MET A 72 -0.964 12.591 -1.783 1.00 0.00 H new ATOM 0 HA MET A 72 -0.948 10.058 -0.272 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.069 12.866 0.897 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.196 11.372 1.805 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.019 11.999 2.152 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.152 10.812 0.869 1.00 0.00 H new ATOM 0 HE1 MET A 72 3.986 13.308 -0.122 1.00 0.00 H new ATOM 0 HE2 MET A 72 3.510 12.809 1.519 1.00 0.00 H new ATOM 0 HE3 MET A 72 3.548 11.614 0.201 1.00 0.00 H new ATOM 1116 N PRO A 73 -3.465 10.093 -0.118 1.00 0.00 N ATOM 1117 CA PRO A 73 -2.851 8.792 0.134 1.00 0.00 C ATOM 1118 C PRO A 73 -2.589 8.009 -1.160 1.00 0.00 C ATOM 1119 O PRO A 73 -3.106 8.359 -2.224 1.00 0.00 O ATOM 1120 CB PRO A 73 -3.889 8.090 1.006 1.00 0.00 C ATOM 1121 CG PRO A 73 -5.210 8.697 0.644 1.00 0.00 C ATOM 1122 CD PRO A 73 -4.933 10.036 0.000 1.00 0.00 C ATOM 0 HA PRO A 73 -1.870 8.875 0.603 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.890 7.015 0.823 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.671 8.233 2.064 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.756 8.048 -0.041 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.832 8.819 1.531 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.413 10.114 -0.976 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.314 10.856 0.609 1.00 0.00 H new ATOM 1130 N THR A 74 -1.779 6.961 -1.059 1.00 0.00 N ATOM 1131 CA THR A 74 -1.396 6.149 -2.207 1.00 0.00 C ATOM 1132 C THR A 74 -1.330 4.674 -1.837 1.00 0.00 C ATOM 1133 O THR A 74 -0.701 4.286 -0.857 1.00 0.00 O ATOM 1134 CB THR A 74 -0.023 6.596 -2.765 1.00 0.00 C ATOM 1135 OG1 THR A 74 -0.149 7.857 -3.432 1.00 0.00 O ATOM 1136 CG2 THR A 74 0.573 5.564 -3.721 1.00 0.00 C ATOM 0 H THR A 74 -1.369 6.651 -0.178 1.00 0.00 H new ATOM 0 HA THR A 74 -2.159 6.290 -2.973 1.00 0.00 H new ATOM 0 HB THR A 74 0.655 6.693 -1.917 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.024 8.583 -2.786 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.536 5.921 -4.087 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.712 4.619 -3.196 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.103 5.415 -4.563 1.00 0.00 H new ATOM 1144 N LEU A 75 -1.998 3.864 -2.628 1.00 0.00 N ATOM 1145 CA LEU A 75 -1.926 2.428 -2.492 1.00 0.00 C ATOM 1146 C LEU A 75 -0.920 1.885 -3.493 1.00 0.00 C ATOM 1147 O LEU A 75 -1.047 2.130 -4.695 1.00 0.00 O ATOM 1148 CB LEU A 75 -3.280 1.794 -2.782 1.00 0.00 C ATOM 1149 CG LEU A 75 -4.433 2.221 -1.879 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -5.289 3.298 -2.544 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -5.270 1.011 -1.531 1.00 0.00 C ATOM 0 H LEU A 75 -2.606 4.183 -3.383 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.626 2.189 -1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.551 2.021 -3.813 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.173 0.712 -2.712 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.023 2.651 -0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.102 3.581 -1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.673 4.172 -2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.703 2.910 -3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.095 1.313 -0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.667 0.568 -2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.652 0.278 -1.012 1.00 0.00 H new ATOM 1163 N LEU A 76 0.076 1.168 -3.017 1.00 0.00 N ATOM 1164 CA LEU A 76 1.046 0.571 -3.911 1.00 0.00 C ATOM 1165 C LEU A 76 0.986 -0.946 -3.835 1.00 0.00 C ATOM 1166 O LEU A 76 1.283 -1.547 -2.803 1.00 0.00 O ATOM 1167 CB LEU A 76 2.453 1.085 -3.608 1.00 0.00 C ATOM 1168 CG LEU A 76 3.028 2.021 -4.677 1.00 0.00 C ATOM 1169 CD1 LEU A 76 4.401 2.532 -4.278 1.00 0.00 C ATOM 1170 CD2 LEU A 76 3.095 1.309 -6.019 1.00 0.00 C ATOM 0 H LEU A 76 0.235 0.985 -2.026 1.00 0.00 H new ATOM 0 HA LEU A 76 0.797 0.865 -4.931 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.437 1.610 -2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.121 0.232 -3.492 1.00 0.00 H new ATOM 0 HG LEU A 76 2.364 2.881 -4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.783 3.193 -5.056 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.326 3.081 -3.339 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.081 1.689 -4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.505 1.985 -6.769 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.735 0.431 -5.933 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.093 1.000 -6.318 1.00 0.00 H new ATOM 1182 N LEU A 77 0.571 -1.549 -4.937 1.00 0.00 N ATOM 1183 CA LEU A 77 0.436 -2.991 -5.034 1.00 0.00 C ATOM 1184 C LEU A 77 1.660 -3.558 -5.739 1.00 0.00 C ATOM 1185 O LEU A 77 2.014 -3.104 -6.831 1.00 0.00 O ATOM 1186 CB LEU A 77 -0.821 -3.364 -5.840 1.00 0.00 C ATOM 1187 CG LEU A 77 -2.194 -3.210 -5.158 1.00 0.00 C ATOM 1188 CD1 LEU A 77 -2.282 -1.959 -4.296 1.00 0.00 C ATOM 1189 CD2 LEU A 77 -3.270 -3.164 -6.225 1.00 0.00 C ATOM 0 H LEU A 77 0.318 -1.051 -5.790 1.00 0.00 H new ATOM 0 HA LEU A 77 0.348 -3.404 -4.029 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.829 -2.757 -6.745 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.719 -4.403 -6.154 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.335 -4.066 -4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.270 -1.900 -3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.523 -2.001 -3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.116 -1.078 -4.916 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.246 -3.055 -5.753 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.090 -2.317 -6.887 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.248 -4.087 -6.804 1.00 0.00 H new ATOM 1201 N PHE A 78 2.304 -4.538 -5.132 1.00 0.00 N ATOM 1202 CA PHE A 78 3.469 -5.167 -5.741 1.00 0.00 C ATOM 1203 C PHE A 78 3.321 -6.677 -5.779 1.00 0.00 C ATOM 1204 O PHE A 78 2.519 -7.246 -5.038 1.00 0.00 O ATOM 1205 CB PHE A 78 4.745 -4.819 -4.978 1.00 0.00 C ATOM 1206 CG PHE A 78 5.258 -3.422 -5.207 1.00 0.00 C ATOM 1207 CD1 PHE A 78 4.675 -2.334 -4.585 1.00 0.00 C ATOM 1208 CD2 PHE A 78 6.344 -3.204 -6.040 1.00 0.00 C ATOM 1209 CE1 PHE A 78 5.166 -1.060 -4.790 1.00 0.00 C ATOM 1210 CE2 PHE A 78 6.836 -1.933 -6.251 1.00 0.00 C ATOM 1211 CZ PHE A 78 6.244 -0.859 -5.625 1.00 0.00 C ATOM 0 H PHE A 78 2.044 -4.917 -4.221 1.00 0.00 H new ATOM 0 HA PHE A 78 3.539 -4.784 -6.759 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.562 -4.953 -3.912 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.524 -5.527 -5.259 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.827 -2.482 -3.932 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.813 -4.043 -6.532 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.704 -0.219 -4.295 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.682 -1.781 -6.905 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.624 0.139 -5.788 1.00 0.00 H new ATOM 1221 N LYS A 79 4.076 -7.321 -6.663 1.00 0.00 N ATOM 1222 CA LYS A 79 4.226 -8.764 -6.612 1.00 0.00 C ATOM 1223 C LYS A 79 5.649 -9.159 -7.009 1.00 0.00 C ATOM 1224 O LYS A 79 6.206 -8.606 -7.955 1.00 0.00 O ATOM 1225 CB LYS A 79 3.203 -9.455 -7.518 1.00 0.00 C ATOM 1226 CG LYS A 79 3.032 -10.934 -7.209 1.00 0.00 C ATOM 1227 CD LYS A 79 1.970 -11.575 -8.085 1.00 0.00 C ATOM 1228 CE LYS A 79 1.703 -13.012 -7.667 1.00 0.00 C ATOM 1229 NZ LYS A 79 0.726 -13.676 -8.563 1.00 0.00 N ATOM 0 H LYS A 79 4.589 -6.866 -7.418 1.00 0.00 H new ATOM 0 HA LYS A 79 4.042 -9.092 -5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.240 -8.955 -7.415 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.512 -9.341 -8.557 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.982 -11.448 -7.355 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.761 -11.057 -6.160 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.047 -10.998 -8.022 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.291 -11.551 -9.126 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.639 -13.571 -7.672 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.327 -13.029 -6.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.392 -14.556 -8.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.082 -13.042 -8.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.182 -13.897 -9.471 1.00 0.00 H new ATOM 1243 N ASN A 80 6.230 -10.088 -6.243 1.00 0.00 N ATOM 1244 CA ASN A 80 7.570 -10.653 -6.497 1.00 0.00 C ATOM 1245 C ASN A 80 8.645 -9.583 -6.740 1.00 0.00 C ATOM 1246 O ASN A 80 9.507 -9.733 -7.607 1.00 0.00 O ATOM 1247 CB ASN A 80 7.556 -11.691 -7.647 1.00 0.00 C ATOM 1248 CG ASN A 80 7.211 -11.123 -9.019 1.00 0.00 C ATOM 1249 OD1 ASN A 80 8.080 -10.638 -9.744 1.00 0.00 O ATOM 1250 ND2 ASN A 80 5.949 -11.222 -9.405 1.00 0.00 N ATOM 0 H ASN A 80 5.780 -10.478 -5.415 1.00 0.00 H new ATOM 0 HA ASN A 80 7.844 -11.170 -5.577 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.536 -12.164 -7.702 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.837 -12.473 -7.402 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.671 -10.891 -10.329 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.255 -11.629 -8.779 1.00 0.00 H new ATOM 1257 N GLY A 81 8.610 -8.508 -5.957 1.00 0.00 N ATOM 1258 CA GLY A 81 9.654 -7.500 -6.046 1.00 0.00 C ATOM 1259 C GLY A 81 9.408 -6.506 -7.159 1.00 0.00 C ATOM 1260 O GLY A 81 10.213 -5.601 -7.383 1.00 0.00 O ATOM 0 H GLY A 81 7.883 -8.317 -5.267 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.722 -6.968 -5.097 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.614 -7.990 -6.207 1.00 0.00 H new ATOM 1264 N LYS A 82 8.294 -6.676 -7.849 1.00 0.00 N ATOM 1265 CA LYS A 82 7.915 -5.797 -8.939 1.00 0.00 C ATOM 1266 C LYS A 82 6.552 -5.222 -8.611 1.00 0.00 C ATOM 1267 O LYS A 82 5.857 -5.771 -7.769 1.00 0.00 O ATOM 1268 CB LYS A 82 7.846 -6.569 -10.262 1.00 0.00 C ATOM 1269 CG LYS A 82 8.947 -7.605 -10.447 1.00 0.00 C ATOM 1270 CD LYS A 82 10.332 -6.980 -10.465 1.00 0.00 C ATOM 1271 CE LYS A 82 11.410 -8.039 -10.612 1.00 0.00 C ATOM 1272 NZ LYS A 82 11.445 -8.977 -9.455 1.00 0.00 N ATOM 0 H LYS A 82 7.628 -7.427 -7.669 1.00 0.00 H new ATOM 0 HA LYS A 82 8.656 -5.006 -9.053 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.880 -7.069 -10.326 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.892 -5.857 -11.086 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.892 -8.338 -9.642 1.00 0.00 H new ATOM 0 HG3 LYS A 82 8.782 -8.144 -11.380 1.00 0.00 H new ATOM 0 HD2 LYS A 82 10.402 -6.269 -11.288 1.00 0.00 H new ATOM 0 HD3 LYS A 82 10.493 -6.419 -9.544 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.239 -8.603 -11.529 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.381 -7.554 -10.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 12.360 -8.893 -8.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.677 -8.742 -8.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.322 -9.952 -9.795 1.00 0.00 H new ATOM 1286 N GLU A 83 6.164 -4.129 -9.240 1.00 0.00 N ATOM 1287 CA GLU A 83 4.850 -3.557 -8.998 1.00 0.00 C ATOM 1288 C GLU A 83 3.768 -4.485 -9.564 1.00 0.00 C ATOM 1289 O GLU A 83 4.065 -5.586 -10.032 1.00 0.00 O ATOM 1290 CB GLU A 83 4.771 -2.161 -9.641 1.00 0.00 C ATOM 1291 CG GLU A 83 3.559 -1.341 -9.212 1.00 0.00 C ATOM 1292 CD GLU A 83 3.595 0.081 -9.721 1.00 0.00 C ATOM 1293 OE1 GLU A 83 3.109 0.328 -10.843 1.00 0.00 O ATOM 1294 OE2 GLU A 83 4.094 0.960 -8.995 1.00 0.00 O ATOM 0 H GLU A 83 6.733 -3.622 -9.917 1.00 0.00 H new ATOM 0 HA GLU A 83 4.684 -3.454 -7.926 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.676 -1.607 -9.392 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.754 -2.273 -10.725 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.653 -1.827 -9.573 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.502 -1.330 -8.124 1.00 0.00 H new ATOM 1301 N VAL A 84 2.519 -4.079 -9.400 1.00 0.00 N ATOM 1302 CA VAL A 84 1.402 -4.612 -10.168 1.00 0.00 C ATOM 1303 C VAL A 84 0.343 -3.532 -10.341 1.00 0.00 C ATOM 1304 O VAL A 84 -0.395 -3.526 -11.327 1.00 0.00 O ATOM 1305 CB VAL A 84 0.754 -5.869 -9.550 1.00 0.00 C ATOM 1306 CG1 VAL A 84 1.499 -7.133 -9.946 1.00 0.00 C ATOM 1307 CG2 VAL A 84 0.695 -5.746 -8.049 1.00 0.00 C ATOM 0 H VAL A 84 2.248 -3.364 -8.725 1.00 0.00 H new ATOM 0 HA VAL A 84 1.814 -4.920 -11.129 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.261 -5.944 -9.940 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.015 -7.998 -9.493 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.487 -7.238 -11.031 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.530 -7.071 -9.599 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.235 -6.640 -7.628 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.705 -5.636 -7.653 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.102 -4.872 -7.779 1.00 0.00 H new ATOM 1317 N ALA A 85 0.280 -2.605 -9.383 1.00 0.00 N ATOM 1318 CA ALA A 85 -0.647 -1.486 -9.466 1.00 0.00 C ATOM 1319 C ALA A 85 -0.276 -0.377 -8.491 1.00 0.00 C ATOM 1320 O ALA A 85 0.341 -0.621 -7.458 1.00 0.00 O ATOM 1321 CB ALA A 85 -2.071 -1.955 -9.220 1.00 0.00 C ATOM 0 H ALA A 85 0.861 -2.611 -8.544 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.580 -1.076 -10.474 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.750 -1.105 -9.286 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.344 -2.697 -9.970 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.141 -2.400 -8.227 1.00 0.00 H new ATOM 1327 N LYS A 86 -0.650 0.845 -8.842 1.00 0.00 N ATOM 1328 CA LYS A 86 -0.417 2.008 -7.997 1.00 0.00 C ATOM 1329 C LYS A 86 -1.606 2.957 -8.106 1.00 0.00 C ATOM 1330 O LYS A 86 -1.922 3.434 -9.194 1.00 0.00 O ATOM 1331 CB LYS A 86 0.871 2.727 -8.416 1.00 0.00 C ATOM 1332 CG LYS A 86 1.159 3.985 -7.606 1.00 0.00 C ATOM 1333 CD LYS A 86 2.117 4.942 -8.313 1.00 0.00 C ATOM 1334 CE LYS A 86 3.549 4.421 -8.390 1.00 0.00 C ATOM 1335 NZ LYS A 86 3.762 3.479 -9.522 1.00 0.00 N ATOM 0 H LYS A 86 -1.123 1.058 -9.720 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.306 1.681 -6.963 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.711 2.039 -8.314 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.802 2.992 -9.471 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.221 4.502 -7.402 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.582 3.701 -6.642 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.752 5.129 -9.323 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.114 5.899 -7.791 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.232 5.264 -8.492 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.799 3.920 -7.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.152 2.585 -9.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.855 3.295 -9.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.429 3.898 -10.202 1.00 0.00 H new ATOM 1349 N VAL A 87 -2.266 3.227 -6.989 1.00 0.00 N ATOM 1350 CA VAL A 87 -3.482 4.032 -7.004 1.00 0.00 C ATOM 1351 C VAL A 87 -3.417 5.137 -5.959 1.00 0.00 C ATOM 1352 O VAL A 87 -3.143 4.882 -4.790 1.00 0.00 O ATOM 1353 CB VAL A 87 -4.739 3.172 -6.748 1.00 0.00 C ATOM 1354 CG1 VAL A 87 -5.996 4.027 -6.811 1.00 0.00 C ATOM 1355 CG2 VAL A 87 -4.823 2.024 -7.745 1.00 0.00 C ATOM 0 H VAL A 87 -1.983 2.903 -6.064 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.554 4.473 -7.998 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.661 2.748 -5.747 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.870 3.402 -6.628 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.943 4.808 -6.053 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.076 4.484 -7.797 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.716 1.433 -7.545 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.873 2.424 -8.758 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.940 1.392 -7.648 1.00 0.00 H new ATOM 1365 N VAL A 88 -3.681 6.361 -6.383 1.00 0.00 N ATOM 1366 CA VAL A 88 -3.637 7.506 -5.486 1.00 0.00 C ATOM 1367 C VAL A 88 -5.045 7.896 -5.026 1.00 0.00 C ATOM 1368 O VAL A 88 -5.451 9.055 -5.130 1.00 0.00 O ATOM 1369 CB VAL A 88 -2.942 8.715 -6.156 1.00 0.00 C ATOM 1370 CG1 VAL A 88 -1.463 8.431 -6.362 1.00 0.00 C ATOM 1371 CG2 VAL A 88 -3.597 9.056 -7.488 1.00 0.00 C ATOM 0 H VAL A 88 -3.929 6.589 -7.346 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.054 7.215 -4.612 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.050 9.572 -5.491 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.990 9.292 -6.834 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.991 8.241 -5.398 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.346 7.556 -7.002 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.088 9.909 -7.936 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.527 8.199 -8.158 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.646 9.304 -7.325 1.00 0.00 H new ATOM 1381 N GLY A 89 -5.787 6.929 -4.503 1.00 0.00 N ATOM 1382 CA GLY A 89 -7.149 7.201 -4.096 1.00 0.00 C ATOM 1383 C GLY A 89 -7.866 5.983 -3.552 1.00 0.00 C ATOM 1384 O GLY A 89 -7.937 4.945 -4.213 1.00 0.00 O ATOM 0 H GLY A 89 -5.473 5.970 -4.355 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.145 7.981 -3.335 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.705 7.591 -4.949 1.00 0.00 H new ATOM 1388 N ALA A 90 -8.383 6.118 -2.342 1.00 0.00 N ATOM 1389 CA ALA A 90 -9.171 5.082 -1.701 1.00 0.00 C ATOM 1390 C ALA A 90 -10.482 4.829 -2.426 1.00 0.00 C ATOM 1391 O ALA A 90 -11.433 5.600 -2.299 1.00 0.00 O ATOM 1392 CB ALA A 90 -9.461 5.485 -0.276 1.00 0.00 C ATOM 0 H ALA A 90 -8.266 6.957 -1.774 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.591 4.159 -1.730 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.053 4.709 0.208 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.523 5.615 0.263 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.017 6.423 -0.269 1.00 0.00 H new ATOM 1398 N ASN A 91 -10.532 3.758 -3.190 1.00 0.00 N ATOM 1399 CA ASN A 91 -11.763 3.359 -3.840 1.00 0.00 C ATOM 1400 C ASN A 91 -12.198 1.984 -3.344 1.00 0.00 C ATOM 1401 O ASN A 91 -11.826 0.971 -3.930 1.00 0.00 O ATOM 1402 CB ASN A 91 -11.569 3.342 -5.350 1.00 0.00 C ATOM 1403 CG ASN A 91 -12.596 4.193 -6.078 1.00 0.00 C ATOM 1404 OD1 ASN A 91 -12.331 4.719 -7.158 1.00 0.00 O ATOM 1405 ND2 ASN A 91 -13.780 4.333 -5.497 1.00 0.00 N ATOM 0 H ASN A 91 -9.736 3.149 -3.376 1.00 0.00 H new ATOM 0 HA ASN A 91 -12.544 4.078 -3.594 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.568 3.702 -5.589 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.632 2.315 -5.710 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -14.506 4.891 -5.946 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -13.965 3.882 -4.601 1.00 0.00 H new ATOM 1412 N PRO A 92 -12.997 1.946 -2.259 1.00 0.00 N ATOM 1413 CA PRO A 92 -13.422 0.710 -1.585 1.00 0.00 C ATOM 1414 C PRO A 92 -13.609 -0.504 -2.498 1.00 0.00 C ATOM 1415 O PRO A 92 -12.856 -1.473 -2.410 1.00 0.00 O ATOM 1416 CB PRO A 92 -14.749 1.130 -0.969 1.00 0.00 C ATOM 1417 CG PRO A 92 -14.543 2.557 -0.587 1.00 0.00 C ATOM 1418 CD PRO A 92 -13.537 3.129 -1.561 1.00 0.00 C ATOM 0 HA PRO A 92 -12.663 0.362 -0.885 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.569 1.023 -1.679 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -14.996 0.518 -0.102 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -15.482 3.109 -0.632 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -14.177 2.634 0.437 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -14.007 3.823 -2.258 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -12.751 3.680 -1.044 1.00 0.00 H new ATOM 1426 N ALA A 93 -14.589 -0.445 -3.386 1.00 0.00 N ATOM 1427 CA ALA A 93 -14.941 -1.602 -4.196 1.00 0.00 C ATOM 1428 C ALA A 93 -13.984 -1.798 -5.364 1.00 0.00 C ATOM 1429 O ALA A 93 -13.538 -2.916 -5.627 1.00 0.00 O ATOM 1430 CB ALA A 93 -16.372 -1.482 -4.694 1.00 0.00 C ATOM 0 H ALA A 93 -15.152 0.386 -3.564 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.857 -2.483 -3.560 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.621 -2.354 -5.298 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -17.050 -1.425 -3.842 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.472 -0.581 -5.299 1.00 0.00 H new ATOM 1436 N ALA A 94 -13.655 -0.715 -6.052 1.00 0.00 N ATOM 1437 CA ALA A 94 -12.819 -0.795 -7.245 1.00 0.00 C ATOM 1438 C ALA A 94 -11.398 -1.217 -6.908 1.00 0.00 C ATOM 1439 O ALA A 94 -10.720 -1.844 -7.721 1.00 0.00 O ATOM 1440 CB ALA A 94 -12.809 0.536 -7.978 1.00 0.00 C ATOM 0 H ALA A 94 -13.953 0.229 -5.807 1.00 0.00 H new ATOM 0 HA ALA A 94 -13.249 -1.557 -7.895 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -12.181 0.458 -8.865 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.825 0.796 -8.275 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -12.414 1.310 -7.321 1.00 0.00 H new ATOM 1446 N ILE A 95 -10.941 -0.883 -5.713 1.00 0.00 N ATOM 1447 CA ILE A 95 -9.591 -1.237 -5.321 1.00 0.00 C ATOM 1448 C ILE A 95 -9.574 -2.627 -4.703 1.00 0.00 C ATOM 1449 O ILE A 95 -8.617 -3.370 -4.873 1.00 0.00 O ATOM 1450 CB ILE A 95 -8.953 -0.211 -4.363 1.00 0.00 C ATOM 1451 CG1 ILE A 95 -8.966 1.186 -4.989 1.00 0.00 C ATOM 1452 CG2 ILE A 95 -7.528 -0.613 -4.020 1.00 0.00 C ATOM 1453 CD1 ILE A 95 -8.318 1.250 -6.355 1.00 0.00 C ATOM 0 H ILE A 95 -11.476 -0.375 -5.009 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.985 -1.232 -6.227 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.541 -0.191 -3.445 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.998 1.528 -5.070 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.453 1.878 -4.321 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.095 0.124 -3.343 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.532 -1.591 -3.538 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.934 -0.661 -4.933 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.366 2.271 -6.733 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.276 0.940 -6.278 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -8.845 0.585 -7.039 1.00 0.00 H new ATOM 1465 N LYS A 96 -10.648 -2.992 -4.013 1.00 0.00 N ATOM 1466 CA LYS A 96 -10.812 -4.368 -3.557 1.00 0.00 C ATOM 1467 C LYS A 96 -10.865 -5.301 -4.762 1.00 0.00 C ATOM 1468 O LYS A 96 -10.409 -6.447 -4.710 1.00 0.00 O ATOM 1469 CB LYS A 96 -12.060 -4.501 -2.667 1.00 0.00 C ATOM 1470 CG LYS A 96 -12.668 -5.893 -2.608 1.00 0.00 C ATOM 1471 CD LYS A 96 -13.881 -6.014 -3.517 1.00 0.00 C ATOM 1472 CE LYS A 96 -14.608 -7.331 -3.302 1.00 0.00 C ATOM 1473 NZ LYS A 96 -15.159 -7.443 -1.925 1.00 0.00 N ATOM 0 H LYS A 96 -11.410 -2.364 -3.759 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.956 -4.654 -2.945 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.799 -4.193 -1.655 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.819 -3.806 -3.026 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -11.920 -6.630 -2.899 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.957 -6.121 -1.582 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -14.563 -5.185 -3.328 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.566 -5.936 -4.558 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -15.418 -7.420 -4.025 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.923 -8.158 -3.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.900 -8.173 -1.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.398 -7.705 -1.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.565 -6.530 -1.638 1.00 0.00 H new ATOM 1487 N GLN A 97 -11.410 -4.793 -5.856 1.00 0.00 N ATOM 1488 CA GLN A 97 -11.365 -5.502 -7.121 1.00 0.00 C ATOM 1489 C GLN A 97 -9.948 -5.485 -7.683 1.00 0.00 C ATOM 1490 O GLN A 97 -9.511 -6.443 -8.319 1.00 0.00 O ATOM 1491 CB GLN A 97 -12.338 -4.880 -8.125 1.00 0.00 C ATOM 1492 CG GLN A 97 -12.330 -5.585 -9.471 1.00 0.00 C ATOM 1493 CD GLN A 97 -13.103 -4.842 -10.536 1.00 0.00 C ATOM 1494 OE1 GLN A 97 -14.062 -4.129 -10.245 1.00 0.00 O ATOM 1495 NE2 GLN A 97 -12.694 -5.017 -11.780 1.00 0.00 N ATOM 0 H GLN A 97 -11.888 -3.893 -5.892 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.664 -6.535 -6.947 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -13.346 -4.909 -7.712 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.082 -3.830 -8.269 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -11.299 -5.712 -9.801 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -12.753 -6.583 -9.354 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.893 -5.618 -11.974 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.179 -4.551 -12.547 1.00 0.00 H new ATOM 1504 N ALA A 98 -9.222 -4.405 -7.420 1.00 0.00 N ATOM 1505 CA ALA A 98 -7.866 -4.264 -7.913 1.00 0.00 C ATOM 1506 C ALA A 98 -6.965 -5.292 -7.261 1.00 0.00 C ATOM 1507 O ALA A 98 -6.280 -6.043 -7.940 1.00 0.00 O ATOM 1508 CB ALA A 98 -7.340 -2.863 -7.662 1.00 0.00 C ATOM 0 H ALA A 98 -9.554 -3.615 -6.867 1.00 0.00 H new ATOM 0 HA ALA A 98 -7.873 -4.433 -8.990 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.321 -2.784 -8.041 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.975 -2.139 -8.173 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.346 -2.659 -6.591 1.00 0.00 H new ATOM 1514 N ILE A 99 -6.994 -5.339 -5.942 1.00 0.00 N ATOM 1515 CA ILE A 99 -6.149 -6.256 -5.187 1.00 0.00 C ATOM 1516 C ILE A 99 -6.333 -7.688 -5.685 1.00 0.00 C ATOM 1517 O ILE A 99 -5.376 -8.453 -5.773 1.00 0.00 O ATOM 1518 CB ILE A 99 -6.436 -6.213 -3.668 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -6.635 -4.778 -3.175 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -5.289 -6.873 -2.930 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -5.647 -3.801 -3.743 1.00 0.00 C ATOM 0 H ILE A 99 -7.596 -4.751 -5.365 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.121 -5.930 -5.347 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.362 -6.753 -3.471 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.643 -4.452 -3.431 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -6.562 -4.764 -2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.483 -6.847 -1.858 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.194 -7.909 -3.257 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.363 -6.339 -3.144 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.851 -2.806 -3.348 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.637 -4.102 -3.465 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.735 -3.785 -4.829 1.00 0.00 H new ATOM 1533 N ALA A 100 -7.567 -8.026 -6.046 1.00 0.00 N ATOM 1534 CA ALA A 100 -7.875 -9.354 -6.571 1.00 0.00 C ATOM 1535 C ALA A 100 -7.389 -9.502 -8.015 1.00 0.00 C ATOM 1536 O ALA A 100 -7.024 -10.594 -8.451 1.00 0.00 O ATOM 1537 CB ALA A 100 -9.369 -9.623 -6.483 1.00 0.00 C ATOM 0 H ALA A 100 -8.370 -7.400 -5.985 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.349 -10.090 -5.962 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.584 -10.616 -6.878 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.688 -9.570 -5.442 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.908 -8.876 -7.066 1.00 0.00 H new ATOM 1543 N ALA A 101 -7.389 -8.394 -8.747 1.00 0.00 N ATOM 1544 CA ALA A 101 -6.952 -8.380 -10.140 1.00 0.00 C ATOM 1545 C ALA A 101 -5.439 -8.520 -10.252 1.00 0.00 C ATOM 1546 O ALA A 101 -4.928 -9.179 -11.160 1.00 0.00 O ATOM 1547 CB ALA A 101 -7.397 -7.091 -10.818 1.00 0.00 C ATOM 0 H ALA A 101 -7.690 -7.485 -8.396 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.412 -9.233 -10.639 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.065 -7.093 -11.856 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.484 -7.019 -10.785 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.961 -6.238 -10.299 1.00 0.00 H new ATOM 1553 N ASN A 102 -4.731 -7.898 -9.324 1.00 0.00 N ATOM 1554 CA ASN A 102 -3.273 -7.860 -9.366 1.00 0.00 C ATOM 1555 C ASN A 102 -2.669 -9.082 -8.688 1.00 0.00 C ATOM 1556 O ASN A 102 -1.511 -9.423 -8.928 1.00 0.00 O ATOM 1557 CB ASN A 102 -2.754 -6.582 -8.705 1.00 0.00 C ATOM 1558 CG ASN A 102 -3.266 -5.328 -9.385 1.00 0.00 C ATOM 1559 OD1 ASN A 102 -2.730 -4.894 -10.399 1.00 0.00 O ATOM 1560 ND2 ASN A 102 -4.285 -4.720 -8.804 1.00 0.00 N ATOM 0 H ASN A 102 -5.141 -7.410 -8.528 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.969 -7.868 -10.413 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -3.054 -6.571 -7.657 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.664 -6.583 -8.725 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -4.655 -3.855 -9.198 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -4.702 -5.116 -7.961 1.00 0.00 H new ATOM 1567 N ALA A 103 -3.458 -9.732 -7.841 1.00 0.00 N ATOM 1568 CA ALA A 103 -3.005 -10.917 -7.122 1.00 0.00 C ATOM 1569 C ALA A 103 -2.765 -12.079 -8.077 1.00 0.00 C ATOM 1570 O ALA A 103 -3.748 -12.593 -8.650 1.00 0.00 O ATOM 1571 CB ALA A 103 -4.018 -11.310 -6.056 1.00 0.00 C ATOM 1572 OXT ALA A 103 -1.600 -12.490 -8.236 1.00 0.00 O ATOM 0 H ALA A 103 -4.418 -9.457 -7.635 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.059 -10.676 -6.637 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.665 -12.196 -5.528 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -4.138 -10.490 -5.348 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.977 -11.526 -6.527 1.00 0.00 H new