USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=29 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 46 GLN : amide:sc= -1.72! K(o=-1.1!,f=-2.5) USER MOD Set 1.2: A 96 LYS NZ :NH3+ -109:sc= 0.654 (180deg=0) USER MOD Set 2.1: A 4 GLN : amide:sc= -2.55 X(o=-2.9,f=-2.6!) USER MOD Set 2.2: A 26 TYR OH : rot 180:sc= -0.44 USER MOD Set 2.3: A 54 LYS NZ :NH3+ 142:sc= 0.0616 (180deg=0) USER MOD Set 3.1: A 17 GLN :FLIP amide:sc= -0.126 F(o=-1.5,f=-0.13) USER MOD Set 3.2: A 53 TYR OH : rot 165:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -165:sc= -0.0674 (180deg=-0.293) USER MOD Single : A 7 THR OG1 : rot -70:sc= 1.12 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -160:sc= 1.14 (180deg=0.597) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0864 USER MOD Single : A 30 CYS SG : rot -160:sc= -3.64! USER MOD Single : A 33 CYS SG : rot -84:sc= 0.817 USER MOD Single : A 34 LYS NZ :NH3+ 169:sc= -0.0072 (180deg=-0.124) USER MOD Single : A 35 MET CE :methyl -161:sc= -0.426 (180deg=-1.09) USER MOD Single : A 39 MET CE :methyl -158:sc= -9.68! (180deg=-10.3!) USER MOD Single : A 42 LYS NZ :NH3+ 172:sc=-0.00681 (180deg=-0.089) USER MOD Single : A 44 SER OG : rot -120:sc= 0 USER MOD Single : A 47 TYR OH : rot -116:sc= -2.6! USER MOD Single : A 49 GLN : amide:sc= -1.85 X(o=-1.9,f=-1.9!) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.073 F(o=-0.93,f=-0.073) USER MOD Single : A 66 LYS NZ :NH3+ 166:sc= 1.23 (180deg=1.14) USER MOD Single : A 67 ASN :FLIP amide:sc= -5.28! C(o=-7.7!,f=-5.3!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 154:sc= -0.501 (180deg=-1.75) USER MOD Single : A 74 THR OG1 : rot 89:sc= 0.516 USER MOD Single : A 79 LYS NZ :NH3+ 175:sc= 1.03 (180deg=0.971) USER MOD Single : A 80 ASN : amide:sc= -0.434 X(o=-0.43,f=-0.64) USER MOD Single : A 82 LYS NZ :NH3+ -165:sc= -0.011 (180deg=-0.247) USER MOD Single : A 86 LYS NZ :NH3+ 157:sc= 0.824 (180deg=0.324) USER MOD Single : A 91 ASN : amide:sc= -2.1! C(o=-2.1!,f=-2.5!) USER MOD Single : A 97 GLN : amide:sc= 0.539 K(o=0.54,f=-0.037) USER MOD Single : A 102 ASN : amide:sc= -0.334 K(o=-0.33,f=-2) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -3.500 -3.901 9.522 1.00 0.00 N ATOM 21 CA VAL A 2 -2.526 -3.737 8.465 1.00 0.00 C ATOM 22 C VAL A 2 -1.165 -3.392 9.066 1.00 0.00 C ATOM 23 O VAL A 2 -1.036 -2.441 9.837 1.00 0.00 O ATOM 24 CB VAL A 2 -3.003 -2.658 7.477 1.00 0.00 C ATOM 25 CG1 VAL A 2 -1.924 -2.315 6.467 1.00 0.00 C ATOM 26 CG2 VAL A 2 -4.263 -3.136 6.782 1.00 0.00 C ATOM 0 HA VAL A 2 -2.420 -4.670 7.912 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.222 -1.746 8.033 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.294 -1.550 5.785 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.043 -1.940 6.989 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.658 -3.208 5.901 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.604 -2.374 6.081 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.052 -4.058 6.241 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.040 -3.320 7.524 1.00 0.00 H new ATOM 36 N THR A 3 -0.165 -4.183 8.714 1.00 0.00 N ATOM 37 CA THR A 3 1.134 -4.158 9.379 1.00 0.00 C ATOM 38 C THR A 3 1.951 -2.914 9.030 1.00 0.00 C ATOM 39 O THR A 3 1.897 -2.398 7.914 1.00 0.00 O ATOM 40 CB THR A 3 1.931 -5.427 9.029 1.00 0.00 C ATOM 41 OG1 THR A 3 1.091 -6.578 9.202 1.00 0.00 O ATOM 42 CG2 THR A 3 3.167 -5.568 9.906 1.00 0.00 C ATOM 0 H THR A 3 -0.228 -4.864 7.957 1.00 0.00 H new ATOM 0 HA THR A 3 0.943 -4.125 10.452 1.00 0.00 H new ATOM 0 HB THR A 3 2.258 -5.349 7.992 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.595 -7.388 8.978 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.706 -6.475 9.632 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.815 -4.703 9.763 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.866 -5.627 10.952 1.00 0.00 H new ATOM 50 N GLN A 4 2.700 -2.440 10.014 1.00 0.00 N ATOM 51 CA GLN A 4 3.481 -1.223 9.892 1.00 0.00 C ATOM 52 C GLN A 4 4.897 -1.521 9.403 1.00 0.00 C ATOM 53 O GLN A 4 5.510 -2.508 9.809 1.00 0.00 O ATOM 54 CB GLN A 4 3.535 -0.532 11.254 1.00 0.00 C ATOM 55 CG GLN A 4 4.196 0.838 11.227 1.00 0.00 C ATOM 56 CD GLN A 4 3.560 1.784 10.228 1.00 0.00 C ATOM 57 OE1 GLN A 4 4.226 2.654 9.667 1.00 0.00 O ATOM 58 NE2 GLN A 4 2.268 1.627 9.998 1.00 0.00 N ATOM 0 H GLN A 4 2.782 -2.893 10.924 1.00 0.00 H new ATOM 0 HA GLN A 4 3.006 -0.572 9.158 1.00 0.00 H new ATOM 0 HB2 GLN A 4 2.520 -0.427 11.637 1.00 0.00 H new ATOM 0 HB3 GLN A 4 4.075 -1.171 11.953 1.00 0.00 H new ATOM 0 HG2 GLN A 4 4.143 1.280 12.222 1.00 0.00 H new ATOM 0 HG3 GLN A 4 5.253 0.721 10.986 1.00 0.00 H new ATOM 0 HE21 GLN A 4 1.749 0.894 10.482 1.00 0.00 H new ATOM 0 HE22 GLN A 4 1.790 2.238 9.336 1.00 0.00 H new ATOM 67 N PHE A 5 5.398 -0.673 8.514 1.00 0.00 N ATOM 68 CA PHE A 5 6.781 -0.761 8.058 1.00 0.00 C ATOM 69 C PHE A 5 7.711 -0.026 9.011 1.00 0.00 C ATOM 70 O PHE A 5 7.265 0.684 9.913 1.00 0.00 O ATOM 71 CB PHE A 5 6.943 -0.150 6.673 1.00 0.00 C ATOM 72 CG PHE A 5 6.499 -1.024 5.533 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.646 -2.403 5.586 1.00 0.00 C ATOM 74 CD2 PHE A 5 5.946 -0.459 4.398 1.00 0.00 C ATOM 75 CE1 PHE A 5 6.250 -3.195 4.529 1.00 0.00 C ATOM 76 CE2 PHE A 5 5.551 -1.248 3.336 1.00 0.00 C ATOM 77 CZ PHE A 5 5.703 -2.615 3.402 1.00 0.00 C ATOM 0 H PHE A 5 4.865 0.087 8.092 1.00 0.00 H new ATOM 0 HA PHE A 5 7.039 -1.820 8.025 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.379 0.782 6.636 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.992 0.106 6.527 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.075 -2.861 6.465 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.822 0.612 4.342 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.368 -4.267 4.583 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.123 -0.794 2.455 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.394 -3.233 2.572 1.00 0.00 H new ATOM 87 N LYS A 6 9.010 -0.203 8.804 1.00 0.00 N ATOM 88 CA LYS A 6 10.006 0.483 9.610 1.00 0.00 C ATOM 89 C LYS A 6 10.916 1.326 8.731 1.00 0.00 C ATOM 90 O LYS A 6 11.299 2.430 9.105 1.00 0.00 O ATOM 91 CB LYS A 6 10.844 -0.519 10.406 1.00 0.00 C ATOM 92 CG LYS A 6 10.007 -1.540 11.144 1.00 0.00 C ATOM 93 CD LYS A 6 10.864 -2.497 11.956 1.00 0.00 C ATOM 94 CE LYS A 6 10.010 -3.463 12.764 1.00 0.00 C ATOM 95 NZ LYS A 6 9.145 -2.759 13.748 1.00 0.00 N ATOM 0 H LYS A 6 9.396 -0.815 8.085 1.00 0.00 H new ATOM 0 HA LYS A 6 9.481 1.135 10.308 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.522 -1.036 9.727 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.462 0.022 11.123 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.309 -1.027 11.806 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.410 -2.105 10.428 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.517 -3.059 11.288 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.508 -1.930 12.628 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.387 -4.048 12.087 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.657 -4.166 13.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.778 -3.443 14.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.701 -2.032 14.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.350 -2.308 13.251 1.00 0.00 H new ATOM 109 N THR A 7 11.265 0.791 7.568 1.00 0.00 N ATOM 110 CA THR A 7 12.096 1.507 6.599 1.00 0.00 C ATOM 111 C THR A 7 11.732 1.099 5.178 1.00 0.00 C ATOM 112 O THR A 7 10.829 0.282 4.975 1.00 0.00 O ATOM 113 CB THR A 7 13.611 1.259 6.790 1.00 0.00 C ATOM 114 OG1 THR A 7 13.903 -0.138 6.680 1.00 0.00 O ATOM 115 CG2 THR A 7 14.112 1.787 8.125 1.00 0.00 C ATOM 0 H THR A 7 10.985 -0.143 7.268 1.00 0.00 H new ATOM 0 HA THR A 7 11.897 2.565 6.769 1.00 0.00 H new ATOM 0 HB THR A 7 14.130 1.804 6.001 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.543 -0.610 7.460 1.00 0.00 H new ATOM 0 HG21 THR A 7 15.180 1.591 8.216 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.934 2.861 8.182 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.581 1.288 8.936 1.00 0.00 H new ATOM 123 N ALA A 8 12.429 1.665 4.201 1.00 0.00 N ATOM 124 CA ALA A 8 12.244 1.275 2.811 1.00 0.00 C ATOM 125 C ALA A 8 12.617 -0.187 2.612 1.00 0.00 C ATOM 126 O ALA A 8 12.085 -0.854 1.725 1.00 0.00 O ATOM 127 CB ALA A 8 13.066 2.153 1.890 1.00 0.00 C ATOM 0 H ALA A 8 13.127 2.395 4.346 1.00 0.00 H new ATOM 0 HA ALA A 8 11.191 1.405 2.562 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.911 1.842 0.857 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.757 3.192 2.006 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.122 2.058 2.143 1.00 0.00 H new ATOM 133 N SER A 9 13.527 -0.683 3.445 1.00 0.00 N ATOM 134 CA SER A 9 13.914 -2.085 3.400 1.00 0.00 C ATOM 135 C SER A 9 12.701 -2.968 3.659 1.00 0.00 C ATOM 136 O SER A 9 12.477 -3.950 2.954 1.00 0.00 O ATOM 137 CB SER A 9 15.007 -2.371 4.427 1.00 0.00 C ATOM 138 OG SER A 9 16.166 -1.598 4.161 1.00 0.00 O ATOM 0 H SER A 9 14.008 -0.134 4.157 1.00 0.00 H new ATOM 0 HA SER A 9 14.308 -2.308 2.408 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.638 -2.148 5.428 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.260 -3.431 4.409 1.00 0.00 H new ATOM 0 HG SER A 9 16.852 -1.796 4.832 1.00 0.00 H new ATOM 144 N GLU A 10 11.921 -2.604 4.671 1.00 0.00 N ATOM 145 CA GLU A 10 10.670 -3.273 4.959 1.00 0.00 C ATOM 146 C GLU A 10 9.722 -3.224 3.766 1.00 0.00 C ATOM 147 O GLU A 10 9.085 -4.227 3.441 1.00 0.00 O ATOM 148 CB GLU A 10 10.023 -2.633 6.177 1.00 0.00 C ATOM 149 CG GLU A 10 10.611 -3.110 7.487 1.00 0.00 C ATOM 150 CD GLU A 10 12.097 -2.870 7.608 1.00 0.00 C ATOM 151 OE1 GLU A 10 12.485 -1.764 8.021 1.00 0.00 O ATOM 152 OE2 GLU A 10 12.881 -3.786 7.290 1.00 0.00 O ATOM 0 H GLU A 10 12.142 -1.839 5.309 1.00 0.00 H new ATOM 0 HA GLU A 10 10.880 -4.322 5.166 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.132 -1.550 6.111 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.954 -2.847 6.167 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.102 -2.606 8.309 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.414 -4.176 7.597 1.00 0.00 H new ATOM 159 N PHE A 11 9.635 -2.063 3.107 1.00 0.00 N ATOM 160 CA PHE A 11 8.777 -1.933 1.935 1.00 0.00 C ATOM 161 C PHE A 11 9.245 -2.917 0.870 1.00 0.00 C ATOM 162 O PHE A 11 8.486 -3.772 0.423 1.00 0.00 O ATOM 163 CB PHE A 11 8.795 -0.486 1.399 1.00 0.00 C ATOM 164 CG PHE A 11 7.758 -0.182 0.334 1.00 0.00 C ATOM 165 CD1 PHE A 11 7.892 -0.686 -0.950 1.00 0.00 C ATOM 166 CD2 PHE A 11 6.659 0.628 0.612 1.00 0.00 C ATOM 167 CE1 PHE A 11 6.958 -0.399 -1.930 1.00 0.00 C ATOM 168 CE2 PHE A 11 5.720 0.919 -0.373 1.00 0.00 C ATOM 169 CZ PHE A 11 5.874 0.401 -1.640 1.00 0.00 C ATOM 0 H PHE A 11 10.141 -1.215 3.363 1.00 0.00 H new ATOM 0 HA PHE A 11 7.748 -2.163 2.210 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.645 0.197 2.235 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.784 -0.278 0.991 1.00 0.00 H new ATOM 0 HD1 PHE A 11 8.738 -1.312 -1.190 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.534 1.035 1.604 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.079 -0.803 -2.924 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.873 1.549 -0.145 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.145 0.622 -2.406 1.00 0.00 H new ATOM 179 N ASP A 12 10.523 -2.820 0.535 1.00 0.00 N ATOM 180 CA ASP A 12 11.147 -3.653 -0.498 1.00 0.00 C ATOM 181 C ASP A 12 11.021 -5.143 -0.175 1.00 0.00 C ATOM 182 O ASP A 12 10.790 -5.961 -1.064 1.00 0.00 O ATOM 183 CB ASP A 12 12.625 -3.271 -0.631 1.00 0.00 C ATOM 184 CG ASP A 12 13.330 -3.997 -1.759 1.00 0.00 C ATOM 185 OD1 ASP A 12 13.871 -5.099 -1.525 1.00 0.00 O ATOM 186 OD2 ASP A 12 13.369 -3.454 -2.884 1.00 0.00 O ATOM 0 H ASP A 12 11.165 -2.159 0.971 1.00 0.00 H new ATOM 0 HA ASP A 12 10.628 -3.475 -1.440 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.702 -2.196 -0.795 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.136 -3.488 0.307 1.00 0.00 H new ATOM 191 N SER A 13 11.170 -5.490 1.099 1.00 0.00 N ATOM 192 CA SER A 13 11.064 -6.878 1.528 1.00 0.00 C ATOM 193 C SER A 13 9.671 -7.426 1.231 1.00 0.00 C ATOM 194 O SER A 13 9.529 -8.518 0.674 1.00 0.00 O ATOM 195 CB SER A 13 11.377 -7.003 3.023 1.00 0.00 C ATOM 196 OG SER A 13 11.381 -8.361 3.436 1.00 0.00 O ATOM 0 H SER A 13 11.364 -4.829 1.851 1.00 0.00 H new ATOM 0 HA SER A 13 11.793 -7.465 0.970 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.348 -6.554 3.233 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.638 -6.447 3.600 1.00 0.00 H new ATOM 0 HG SER A 13 11.585 -8.411 4.393 1.00 0.00 H new ATOM 202 N ALA A 14 8.646 -6.657 1.588 1.00 0.00 N ATOM 203 CA ALA A 14 7.274 -7.049 1.325 1.00 0.00 C ATOM 204 C ALA A 14 7.025 -7.134 -0.175 1.00 0.00 C ATOM 205 O ALA A 14 6.239 -7.957 -0.643 1.00 0.00 O ATOM 206 CB ALA A 14 6.303 -6.074 1.981 1.00 0.00 C ATOM 0 H ALA A 14 8.745 -5.759 2.061 1.00 0.00 H new ATOM 0 HA ALA A 14 7.106 -8.036 1.756 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.279 -6.385 1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.468 -6.066 3.058 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.467 -5.073 1.582 1.00 0.00 H new ATOM 212 N ILE A 15 7.723 -6.290 -0.924 1.00 0.00 N ATOM 213 CA ILE A 15 7.617 -6.270 -2.376 1.00 0.00 C ATOM 214 C ILE A 15 8.134 -7.567 -2.985 1.00 0.00 C ATOM 215 O ILE A 15 7.538 -8.109 -3.913 1.00 0.00 O ATOM 216 CB ILE A 15 8.421 -5.103 -2.982 1.00 0.00 C ATOM 217 CG1 ILE A 15 7.976 -3.764 -2.419 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.306 -5.075 -4.488 1.00 0.00 C ATOM 219 CD1 ILE A 15 6.476 -3.622 -2.257 1.00 0.00 C ATOM 0 H ILE A 15 8.375 -5.604 -0.544 1.00 0.00 H new ATOM 0 HA ILE A 15 6.559 -6.148 -2.607 1.00 0.00 H new ATOM 0 HB ILE A 15 9.463 -5.270 -2.709 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.450 -3.616 -1.449 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.336 -2.970 -3.074 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.885 -4.240 -4.882 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.690 -6.008 -4.900 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.260 -4.957 -4.771 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.246 -2.638 -1.850 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.993 -3.735 -3.227 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.109 -4.391 -1.577 1.00 0.00 H new ATOM 231 N ALA A 16 9.231 -8.072 -2.434 1.00 0.00 N ATOM 232 CA ALA A 16 9.918 -9.227 -3.002 1.00 0.00 C ATOM 233 C ALA A 16 9.170 -10.528 -2.745 1.00 0.00 C ATOM 234 O ALA A 16 9.624 -11.605 -3.132 1.00 0.00 O ATOM 235 CB ALA A 16 11.335 -9.312 -2.457 1.00 0.00 C ATOM 0 H ALA A 16 9.666 -7.698 -1.591 1.00 0.00 H new ATOM 0 HA ALA A 16 9.954 -9.087 -4.082 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.839 -10.177 -2.887 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.881 -8.406 -2.720 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.302 -9.413 -1.372 1.00 0.00 H new ATOM 241 N GLN A 17 8.022 -10.424 -2.107 1.00 0.00 N ATOM 242 CA GLN A 17 7.197 -11.570 -1.816 1.00 0.00 C ATOM 243 C GLN A 17 6.503 -12.069 -3.078 1.00 0.00 C ATOM 244 O GLN A 17 6.030 -11.271 -3.888 1.00 0.00 O ATOM 245 CB GLN A 17 6.164 -11.178 -0.772 1.00 0.00 C ATOM 246 CG GLN A 17 6.757 -10.926 0.604 1.00 0.00 C ATOM 247 CD GLN A 17 5.732 -10.466 1.624 1.00 0.00 C ATOM 248 OE1 GLN A 17 4.750 -9.694 1.189 1.00 0.00 O flip ATOM 249 NE2 GLN A 17 5.838 -10.782 2.807 1.00 0.00 N flip ATOM 0 H GLN A 17 7.637 -9.539 -1.777 1.00 0.00 H new ATOM 0 HA GLN A 17 7.823 -12.377 -1.434 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.645 -10.279 -1.105 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.417 -11.968 -0.698 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.230 -11.841 0.961 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.541 -10.173 0.522 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.608 -11.379 3.108 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.156 -10.447 3.487 1.00 0.00 H new ATOM 258 N ASP A 18 6.430 -13.387 -3.236 1.00 0.00 N ATOM 259 CA ASP A 18 5.764 -13.992 -4.392 1.00 0.00 C ATOM 260 C ASP A 18 4.255 -14.038 -4.185 1.00 0.00 C ATOM 261 O ASP A 18 3.592 -15.019 -4.524 1.00 0.00 O ATOM 262 CB ASP A 18 6.297 -15.404 -4.654 1.00 0.00 C ATOM 263 CG ASP A 18 7.599 -15.406 -5.424 1.00 0.00 C ATOM 264 OD1 ASP A 18 8.672 -15.271 -4.797 1.00 0.00 O ATOM 265 OD2 ASP A 18 7.558 -15.558 -6.663 1.00 0.00 O ATOM 0 H ASP A 18 6.824 -14.060 -2.579 1.00 0.00 H new ATOM 0 HA ASP A 18 5.980 -13.371 -5.261 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.442 -15.915 -3.702 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.551 -15.972 -5.210 1.00 0.00 H new ATOM 270 N LYS A 19 3.727 -12.968 -3.623 1.00 0.00 N ATOM 271 CA LYS A 19 2.308 -12.851 -3.347 1.00 0.00 C ATOM 272 C LYS A 19 1.929 -11.382 -3.338 1.00 0.00 C ATOM 273 O LYS A 19 2.801 -10.519 -3.242 1.00 0.00 O ATOM 274 CB LYS A 19 1.962 -13.522 -2.013 1.00 0.00 C ATOM 275 CG LYS A 19 2.808 -13.048 -0.842 1.00 0.00 C ATOM 276 CD LYS A 19 3.353 -14.227 -0.053 1.00 0.00 C ATOM 277 CE LYS A 19 4.116 -13.785 1.185 1.00 0.00 C ATOM 278 NZ LYS A 19 3.215 -13.269 2.249 1.00 0.00 N ATOM 0 H LYS A 19 4.272 -12.152 -3.344 1.00 0.00 H new ATOM 0 HA LYS A 19 1.738 -13.361 -4.124 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.912 -13.337 -1.787 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.080 -14.600 -2.120 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.634 -12.438 -1.208 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.209 -12.414 -0.189 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.529 -14.876 0.243 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.010 -14.817 -0.692 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.690 -14.626 1.574 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.832 -13.010 0.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.761 -12.681 2.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.461 -12.697 1.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.792 -14.068 2.763 1.00 0.00 H new ATOM 292 N LEU A 20 0.640 -11.104 -3.446 1.00 0.00 N ATOM 293 CA LEU A 20 0.171 -9.740 -3.607 1.00 0.00 C ATOM 294 C LEU A 20 0.380 -8.939 -2.334 1.00 0.00 C ATOM 295 O LEU A 20 -0.235 -9.213 -1.304 1.00 0.00 O ATOM 296 CB LEU A 20 -1.312 -9.725 -4.006 1.00 0.00 C ATOM 297 CG LEU A 20 -1.819 -8.429 -4.655 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.928 -7.302 -3.641 1.00 0.00 C ATOM 299 CD2 LEU A 20 -0.903 -8.018 -5.791 1.00 0.00 C ATOM 0 H LEU A 20 -0.100 -11.806 -3.425 1.00 0.00 H new ATOM 0 HA LEU A 20 0.754 -9.275 -4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.491 -10.549 -4.697 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.910 -9.921 -3.116 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.817 -8.624 -5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.290 -6.401 -4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.625 -7.588 -2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.948 -7.108 -3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.274 -7.098 -6.243 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.103 -7.853 -5.406 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.879 -8.807 -6.543 1.00 0.00 H new ATOM 311 N VAL A 21 1.252 -7.956 -2.418 1.00 0.00 N ATOM 312 CA VAL A 21 1.448 -7.024 -1.331 1.00 0.00 C ATOM 313 C VAL A 21 0.906 -5.651 -1.718 1.00 0.00 C ATOM 314 O VAL A 21 1.343 -5.052 -2.698 1.00 0.00 O ATOM 315 CB VAL A 21 2.938 -6.918 -0.931 1.00 0.00 C ATOM 316 CG1 VAL A 21 3.815 -6.596 -2.133 1.00 0.00 C ATOM 317 CG2 VAL A 21 3.126 -5.879 0.162 1.00 0.00 C ATOM 0 H VAL A 21 1.839 -7.783 -3.234 1.00 0.00 H new ATOM 0 HA VAL A 21 0.901 -7.398 -0.466 1.00 0.00 H new ATOM 0 HB VAL A 21 3.248 -7.889 -0.545 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.856 -6.529 -1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.713 -7.384 -2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.505 -5.645 -2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.181 -5.819 0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.787 -4.907 -0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.545 -6.164 1.039 1.00 0.00 H new ATOM 327 N VAL A 22 -0.080 -5.181 -0.974 1.00 0.00 N ATOM 328 CA VAL A 22 -0.624 -3.862 -1.185 1.00 0.00 C ATOM 329 C VAL A 22 -0.245 -2.958 -0.029 1.00 0.00 C ATOM 330 O VAL A 22 -0.564 -3.229 1.131 1.00 0.00 O ATOM 331 CB VAL A 22 -2.153 -3.904 -1.389 1.00 0.00 C ATOM 332 CG1 VAL A 22 -2.792 -4.993 -0.557 1.00 0.00 C ATOM 333 CG2 VAL A 22 -2.800 -2.553 -1.107 1.00 0.00 C ATOM 0 H VAL A 22 -0.519 -5.702 -0.215 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.195 -3.455 -2.101 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.327 -4.138 -2.439 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.869 -4.994 -0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.379 -5.960 -0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.589 -4.811 0.498 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.876 -2.626 -1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.601 -2.262 -0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.386 -1.803 -1.781 1.00 0.00 H new ATOM 343 N VAL A 23 0.469 -1.902 -0.356 1.00 0.00 N ATOM 344 CA VAL A 23 0.990 -1.009 0.649 1.00 0.00 C ATOM 345 C VAL A 23 0.167 0.257 0.737 1.00 0.00 C ATOM 346 O VAL A 23 -0.083 0.934 -0.263 1.00 0.00 O ATOM 347 CB VAL A 23 2.462 -0.644 0.389 1.00 0.00 C ATOM 348 CG1 VAL A 23 2.976 0.285 1.479 1.00 0.00 C ATOM 349 CG2 VAL A 23 3.307 -1.904 0.312 1.00 0.00 C ATOM 0 H VAL A 23 0.701 -1.643 -1.315 1.00 0.00 H new ATOM 0 HA VAL A 23 0.930 -1.543 1.597 1.00 0.00 H new ATOM 0 HB VAL A 23 2.534 -0.122 -0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.019 0.535 1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.380 1.198 1.490 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.898 -0.211 2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.347 -1.634 0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.235 -2.449 1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.946 -2.535 -0.501 1.00 0.00 H new ATOM 359 N ALA A 24 -0.251 0.551 1.944 1.00 0.00 N ATOM 360 CA ALA A 24 -0.988 1.757 2.246 1.00 0.00 C ATOM 361 C ALA A 24 -0.013 2.881 2.559 1.00 0.00 C ATOM 362 O ALA A 24 0.481 2.988 3.683 1.00 0.00 O ATOM 363 CB ALA A 24 -1.878 1.510 3.449 1.00 0.00 C ATOM 0 H ALA A 24 -0.088 -0.046 2.755 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.600 2.037 1.389 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.436 2.417 3.681 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.575 0.702 3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.263 1.233 4.306 1.00 0.00 H new ATOM 369 N PHE A 25 0.281 3.705 1.580 1.00 0.00 N ATOM 370 CA PHE A 25 1.255 4.757 1.768 1.00 0.00 C ATOM 371 C PHE A 25 0.574 6.116 1.853 1.00 0.00 C ATOM 372 O PHE A 25 0.046 6.623 0.868 1.00 0.00 O ATOM 373 CB PHE A 25 2.267 4.734 0.634 1.00 0.00 C ATOM 374 CG PHE A 25 3.667 4.909 1.117 1.00 0.00 C ATOM 375 CD1 PHE A 25 4.199 6.170 1.278 1.00 0.00 C ATOM 376 CD2 PHE A 25 4.446 3.808 1.415 1.00 0.00 C ATOM 377 CE1 PHE A 25 5.490 6.334 1.726 1.00 0.00 C ATOM 378 CE2 PHE A 25 5.737 3.966 1.864 1.00 0.00 C ATOM 379 CZ PHE A 25 6.260 5.232 2.017 1.00 0.00 C ATOM 0 H PHE A 25 -0.137 3.669 0.650 1.00 0.00 H new ATOM 0 HA PHE A 25 1.777 4.585 2.709 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.186 3.788 0.098 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.029 5.525 -0.077 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.597 7.038 1.051 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.038 2.815 1.295 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.898 7.326 1.849 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.339 3.100 2.096 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.274 5.359 2.365 1.00 0.00 H new ATOM 389 N TYR A 26 0.591 6.703 3.035 1.00 0.00 N ATOM 390 CA TYR A 26 -0.084 7.971 3.271 1.00 0.00 C ATOM 391 C TYR A 26 0.705 8.805 4.266 1.00 0.00 C ATOM 392 O TYR A 26 1.828 8.460 4.606 1.00 0.00 O ATOM 393 CB TYR A 26 -1.512 7.725 3.778 1.00 0.00 C ATOM 394 CG TYR A 26 -1.599 6.792 4.967 1.00 0.00 C ATOM 395 CD1 TYR A 26 -1.588 5.416 4.791 1.00 0.00 C ATOM 396 CD2 TYR A 26 -1.694 7.286 6.262 1.00 0.00 C ATOM 397 CE1 TYR A 26 -1.669 4.559 5.865 1.00 0.00 C ATOM 398 CE2 TYR A 26 -1.775 6.432 7.343 1.00 0.00 C ATOM 399 CZ TYR A 26 -1.763 5.069 7.138 1.00 0.00 C ATOM 400 OH TYR A 26 -1.828 4.211 8.209 1.00 0.00 O ATOM 0 H TYR A 26 1.067 6.321 3.852 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.144 8.521 2.332 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.959 8.682 4.048 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.108 7.313 2.964 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.515 5.010 3.793 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.705 8.354 6.425 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.659 3.490 5.708 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.847 6.830 8.345 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.890 4.728 9.039 1.00 0.00 H new ATOM 410 N ALA A 27 0.131 9.909 4.711 1.00 0.00 N ATOM 411 CA ALA A 27 0.796 10.780 5.666 1.00 0.00 C ATOM 412 C ALA A 27 -0.177 11.216 6.743 1.00 0.00 C ATOM 413 O ALA A 27 -1.316 11.573 6.448 1.00 0.00 O ATOM 414 CB ALA A 27 1.372 11.993 4.957 1.00 0.00 C ATOM 0 H ALA A 27 -0.796 10.225 4.426 1.00 0.00 H new ATOM 0 HA ALA A 27 1.611 10.228 6.134 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.867 12.638 5.683 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.094 11.668 4.208 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.568 12.546 4.470 1.00 0.00 H new ATOM 420 N THR A 28 0.285 11.194 7.986 1.00 0.00 N ATOM 421 CA THR A 28 -0.551 11.507 9.137 1.00 0.00 C ATOM 422 C THR A 28 -1.109 12.929 9.095 1.00 0.00 C ATOM 423 O THR A 28 -2.142 13.211 9.702 1.00 0.00 O ATOM 424 CB THR A 28 0.237 11.305 10.440 1.00 0.00 C ATOM 425 OG1 THR A 28 1.624 11.587 10.213 1.00 0.00 O ATOM 426 CG2 THR A 28 0.076 9.886 10.963 1.00 0.00 C ATOM 0 H THR A 28 1.248 10.959 8.225 1.00 0.00 H new ATOM 0 HA THR A 28 -1.398 10.822 9.101 1.00 0.00 H new ATOM 0 HB THR A 28 -0.158 11.990 11.190 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.124 11.459 11.046 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.644 9.772 11.886 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.978 9.688 11.159 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.446 9.180 10.219 1.00 0.00 H new ATOM 434 N TRP A 29 -0.436 13.823 8.380 1.00 0.00 N ATOM 435 CA TRP A 29 -0.893 15.204 8.277 1.00 0.00 C ATOM 436 C TRP A 29 -1.861 15.382 7.108 1.00 0.00 C ATOM 437 O TRP A 29 -2.507 16.424 6.975 1.00 0.00 O ATOM 438 CB TRP A 29 0.300 16.164 8.135 1.00 0.00 C ATOM 439 CG TRP A 29 1.155 15.931 6.917 1.00 0.00 C ATOM 440 CD1 TRP A 29 2.353 15.275 6.869 1.00 0.00 C ATOM 441 CD2 TRP A 29 0.884 16.365 5.577 1.00 0.00 C ATOM 442 NE1 TRP A 29 2.839 15.276 5.583 1.00 0.00 N ATOM 443 CE2 TRP A 29 1.955 15.936 4.773 1.00 0.00 C ATOM 444 CE3 TRP A 29 -0.162 17.073 4.979 1.00 0.00 C ATOM 445 CZ2 TRP A 29 2.006 16.192 3.406 1.00 0.00 C ATOM 446 CZ3 TRP A 29 -0.111 17.325 3.624 1.00 0.00 C ATOM 447 CH2 TRP A 29 0.967 16.886 2.849 1.00 0.00 C ATOM 0 H TRP A 29 0.421 13.619 7.867 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.426 15.445 9.197 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -0.076 17.187 8.108 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.926 16.078 9.023 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.846 14.822 7.717 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.717 14.853 5.281 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.998 17.418 5.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.838 15.854 2.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.916 17.870 3.154 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.980 17.099 1.790 1.00 0.00 H new ATOM 458 N CYS A 30 -1.963 14.360 6.268 1.00 0.00 N ATOM 459 CA CYS A 30 -2.776 14.437 5.061 1.00 0.00 C ATOM 460 C CYS A 30 -4.261 14.283 5.389 1.00 0.00 C ATOM 461 O CYS A 30 -4.617 13.743 6.437 1.00 0.00 O ATOM 462 CB CYS A 30 -2.334 13.361 4.064 1.00 0.00 C ATOM 463 SG CYS A 30 -3.321 13.275 2.551 1.00 0.00 S ATOM 0 H CYS A 30 -1.491 13.465 6.401 1.00 0.00 H new ATOM 0 HA CYS A 30 -2.632 15.419 4.611 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.294 13.543 3.792 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.369 12.391 4.559 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.156 12.114 1.991 1.00 0.00 H new ATOM 469 N GLY A 31 -5.117 14.760 4.499 1.00 0.00 N ATOM 470 CA GLY A 31 -6.547 14.687 4.730 1.00 0.00 C ATOM 471 C GLY A 31 -7.104 13.277 4.602 1.00 0.00 C ATOM 472 O GLY A 31 -7.366 12.621 5.614 1.00 0.00 O ATOM 0 H GLY A 31 -4.848 15.198 3.618 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.767 15.069 5.727 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.057 15.338 4.020 1.00 0.00 H new ATOM 476 N PRO A 32 -7.275 12.771 3.365 1.00 0.00 N ATOM 477 CA PRO A 32 -7.932 11.483 3.107 1.00 0.00 C ATOM 478 C PRO A 32 -7.070 10.270 3.460 1.00 0.00 C ATOM 479 O PRO A 32 -7.379 9.146 3.063 1.00 0.00 O ATOM 480 CB PRO A 32 -8.209 11.506 1.594 1.00 0.00 C ATOM 481 CG PRO A 32 -7.861 12.885 1.133 1.00 0.00 C ATOM 482 CD PRO A 32 -6.859 13.413 2.115 1.00 0.00 C ATOM 0 HA PRO A 32 -8.823 11.377 3.726 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.609 10.758 1.076 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.254 11.277 1.385 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.446 12.866 0.125 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.746 13.520 1.101 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.839 13.143 1.840 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.893 14.500 2.186 1.00 0.00 H new ATOM 490 N CYS A 33 -6.000 10.492 4.215 1.00 0.00 N ATOM 491 CA CYS A 33 -5.133 9.404 4.656 1.00 0.00 C ATOM 492 C CYS A 33 -5.932 8.408 5.487 1.00 0.00 C ATOM 493 O CYS A 33 -5.730 7.187 5.418 1.00 0.00 O ATOM 494 CB CYS A 33 -3.971 9.958 5.481 1.00 0.00 C ATOM 495 SG CYS A 33 -4.477 10.853 6.973 1.00 0.00 S ATOM 0 H CYS A 33 -5.711 11.416 4.535 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.732 8.896 3.779 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.320 9.133 5.770 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.381 10.626 4.853 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.758 12.085 6.666 1.00 0.00 H new ATOM 501 N LYS A 34 -6.880 8.946 6.239 1.00 0.00 N ATOM 502 CA LYS A 34 -7.722 8.150 7.105 1.00 0.00 C ATOM 503 C LYS A 34 -8.692 7.295 6.304 1.00 0.00 C ATOM 504 O LYS A 34 -9.388 6.466 6.874 1.00 0.00 O ATOM 505 CB LYS A 34 -8.498 9.040 8.072 1.00 0.00 C ATOM 506 CG LYS A 34 -7.610 9.881 8.974 1.00 0.00 C ATOM 507 CD LYS A 34 -8.425 10.812 9.859 1.00 0.00 C ATOM 508 CE LYS A 34 -9.293 10.045 10.847 1.00 0.00 C ATOM 509 NZ LYS A 34 -8.482 9.289 11.839 1.00 0.00 N ATOM 0 H LYS A 34 -7.083 9.945 6.263 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.069 7.489 7.674 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.150 9.701 7.500 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.141 8.415 8.691 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.002 9.226 9.598 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.924 10.468 8.364 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.753 11.474 10.405 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.057 11.444 9.235 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.947 10.742 11.371 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.935 9.353 10.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.101 8.937 12.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.019 8.485 11.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.759 9.916 12.246 1.00 0.00 H new ATOM 523 N MET A 35 -8.764 7.496 4.990 1.00 0.00 N ATOM 524 CA MET A 35 -9.627 6.654 4.181 1.00 0.00 C ATOM 525 C MET A 35 -8.884 5.385 3.820 1.00 0.00 C ATOM 526 O MET A 35 -9.482 4.326 3.646 1.00 0.00 O ATOM 527 CB MET A 35 -10.103 7.352 2.908 1.00 0.00 C ATOM 528 CG MET A 35 -11.260 6.611 2.255 1.00 0.00 C ATOM 529 SD MET A 35 -11.870 7.388 0.750 1.00 0.00 S ATOM 530 CE MET A 35 -12.966 6.092 0.170 1.00 0.00 C ATOM 0 H MET A 35 -8.250 8.214 4.479 1.00 0.00 H new ATOM 0 HA MET A 35 -10.515 6.426 4.771 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.412 8.370 3.146 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.275 7.426 2.203 1.00 0.00 H new ATOM 0 HG2 MET A 35 -10.943 5.594 2.024 1.00 0.00 H new ATOM 0 HG3 MET A 35 -12.079 6.535 2.970 1.00 0.00 H new ATOM 0 HE1 MET A 35 -13.170 6.236 -0.891 1.00 0.00 H new ATOM 0 HE2 MET A 35 -12.493 5.121 0.320 1.00 0.00 H new ATOM 0 HE3 MET A 35 -13.902 6.130 0.728 1.00 0.00 H new ATOM 540 N ILE A 36 -7.566 5.494 3.733 1.00 0.00 N ATOM 541 CA ILE A 36 -6.739 4.352 3.396 1.00 0.00 C ATOM 542 C ILE A 36 -6.576 3.449 4.599 1.00 0.00 C ATOM 543 O ILE A 36 -6.399 2.240 4.458 1.00 0.00 O ATOM 544 CB ILE A 36 -5.368 4.801 2.839 1.00 0.00 C ATOM 545 CG1 ILE A 36 -5.433 4.875 1.320 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.244 3.878 3.272 1.00 0.00 C ATOM 547 CD1 ILE A 36 -6.575 5.722 0.822 1.00 0.00 C ATOM 0 H ILE A 36 -7.051 6.360 3.891 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.238 3.785 2.610 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.149 5.787 3.248 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.495 5.280 0.941 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.532 3.867 0.916 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.301 4.233 2.857 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.180 3.868 4.360 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.442 2.869 2.911 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.569 5.736 -0.268 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.518 5.304 1.174 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.465 6.739 1.199 1.00 0.00 H new ATOM 559 N ALA A 37 -6.702 4.033 5.780 1.00 0.00 N ATOM 560 CA ALA A 37 -6.680 3.256 7.008 1.00 0.00 C ATOM 561 C ALA A 37 -7.731 2.124 6.975 1.00 0.00 C ATOM 562 O ALA A 37 -7.357 0.947 6.945 1.00 0.00 O ATOM 563 CB ALA A 37 -6.850 4.167 8.224 1.00 0.00 C ATOM 0 H ALA A 37 -6.820 5.037 5.914 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.705 2.775 7.094 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.831 3.567 9.134 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.037 4.893 8.251 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.803 4.691 8.155 1.00 0.00 H new ATOM 569 N PRO A 38 -9.054 2.423 6.934 1.00 0.00 N ATOM 570 CA PRO A 38 -10.068 1.375 6.994 1.00 0.00 C ATOM 571 C PRO A 38 -10.350 0.701 5.652 1.00 0.00 C ATOM 572 O PRO A 38 -10.692 -0.476 5.626 1.00 0.00 O ATOM 573 CB PRO A 38 -11.301 2.120 7.487 1.00 0.00 C ATOM 574 CG PRO A 38 -11.153 3.484 6.917 1.00 0.00 C ATOM 575 CD PRO A 38 -9.671 3.753 6.844 1.00 0.00 C ATOM 0 HA PRO A 38 -9.747 0.553 7.633 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.219 1.642 7.144 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.342 2.145 8.576 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.608 3.544 5.928 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.652 4.223 7.543 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.403 4.253 5.913 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.344 4.399 7.659 1.00 0.00 H new ATOM 583 N MET A 39 -10.206 1.418 4.537 1.00 0.00 N ATOM 584 CA MET A 39 -10.533 0.837 3.240 1.00 0.00 C ATOM 585 C MET A 39 -9.549 -0.272 2.907 1.00 0.00 C ATOM 586 O MET A 39 -9.937 -1.342 2.442 1.00 0.00 O ATOM 587 CB MET A 39 -10.509 1.906 2.142 1.00 0.00 C ATOM 588 CG MET A 39 -10.435 1.325 0.744 1.00 0.00 C ATOM 589 SD MET A 39 -9.427 2.322 -0.359 1.00 0.00 S ATOM 590 CE MET A 39 -7.881 2.385 0.552 1.00 0.00 C ATOM 0 H MET A 39 -9.872 2.381 4.507 1.00 0.00 H new ATOM 0 HA MET A 39 -11.539 0.422 3.292 1.00 0.00 H new ATOM 0 HB2 MET A 39 -11.404 2.523 2.225 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.653 2.562 2.301 1.00 0.00 H new ATOM 0 HG2 MET A 39 -10.025 0.316 0.794 1.00 0.00 H new ATOM 0 HG3 MET A 39 -11.442 1.240 0.335 1.00 0.00 H new ATOM 0 HE1 MET A 39 -7.302 3.249 0.226 1.00 0.00 H new ATOM 0 HE2 MET A 39 -8.090 2.470 1.618 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.311 1.475 0.365 1.00 0.00 H new ATOM 600 N ILE A 40 -8.283 -0.012 3.176 1.00 0.00 N ATOM 601 CA ILE A 40 -7.232 -0.970 2.896 1.00 0.00 C ATOM 602 C ILE A 40 -7.280 -2.114 3.890 1.00 0.00 C ATOM 603 O ILE A 40 -7.047 -3.270 3.533 1.00 0.00 O ATOM 604 CB ILE A 40 -5.861 -0.271 2.906 1.00 0.00 C ATOM 605 CG1 ILE A 40 -5.243 -0.334 1.515 1.00 0.00 C ATOM 606 CG2 ILE A 40 -4.910 -0.866 3.940 1.00 0.00 C ATOM 607 CD1 ILE A 40 -4.181 0.704 1.285 1.00 0.00 C ATOM 0 H ILE A 40 -7.957 0.861 3.591 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.388 -1.389 1.902 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.023 0.769 3.190 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.812 -1.324 1.362 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.029 -0.210 0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.958 -0.337 3.905 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.345 -0.766 4.934 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.747 -1.921 3.720 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.784 0.601 0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.611 1.698 1.406 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.376 0.567 2.007 1.00 0.00 H new ATOM 619 N GLU A 41 -7.596 -1.789 5.137 1.00 0.00 N ATOM 620 CA GLU A 41 -7.805 -2.819 6.140 1.00 0.00 C ATOM 621 C GLU A 41 -8.953 -3.737 5.705 1.00 0.00 C ATOM 622 O GLU A 41 -8.894 -4.954 5.886 1.00 0.00 O ATOM 623 CB GLU A 41 -8.113 -2.191 7.501 1.00 0.00 C ATOM 624 CG GLU A 41 -8.186 -3.204 8.632 1.00 0.00 C ATOM 625 CD GLU A 41 -8.670 -2.599 9.930 1.00 0.00 C ATOM 626 OE1 GLU A 41 -7.838 -2.065 10.692 1.00 0.00 O ATOM 627 OE2 GLU A 41 -9.887 -2.667 10.201 1.00 0.00 O ATOM 0 H GLU A 41 -7.711 -0.833 5.473 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.893 -3.408 6.236 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.346 -1.453 7.734 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.061 -1.657 7.440 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.854 -4.016 8.344 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.200 -3.642 8.786 1.00 0.00 H new ATOM 634 N LYS A 42 -9.985 -3.136 5.109 1.00 0.00 N ATOM 635 CA LYS A 42 -11.145 -3.876 4.613 1.00 0.00 C ATOM 636 C LYS A 42 -10.781 -4.811 3.463 1.00 0.00 C ATOM 637 O LYS A 42 -11.408 -5.864 3.298 1.00 0.00 O ATOM 638 CB LYS A 42 -12.252 -2.923 4.164 1.00 0.00 C ATOM 639 CG LYS A 42 -13.080 -2.360 5.305 1.00 0.00 C ATOM 640 CD LYS A 42 -14.226 -1.510 4.784 1.00 0.00 C ATOM 641 CE LYS A 42 -15.102 -1.000 5.915 1.00 0.00 C ATOM 642 NZ LYS A 42 -14.368 -0.074 6.815 1.00 0.00 N ATOM 0 H LYS A 42 -10.039 -2.129 4.958 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.505 -4.482 5.444 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.805 -2.097 3.611 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.912 -3.448 3.474 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.475 -3.177 5.909 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.445 -1.760 5.957 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.827 -0.665 4.222 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.830 -2.097 4.092 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.970 -0.489 5.499 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.477 -1.845 6.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.033 0.355 7.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.639 -0.602 7.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.917 0.674 6.251 1.00 0.00 H new ATOM 656 N PHE A 43 -9.788 -4.429 2.664 1.00 0.00 N ATOM 657 CA PHE A 43 -9.324 -5.287 1.572 1.00 0.00 C ATOM 658 C PHE A 43 -8.925 -6.658 2.110 1.00 0.00 C ATOM 659 O PHE A 43 -9.540 -7.670 1.771 1.00 0.00 O ATOM 660 CB PHE A 43 -8.134 -4.671 0.822 1.00 0.00 C ATOM 661 CG PHE A 43 -8.440 -3.373 0.135 1.00 0.00 C ATOM 662 CD1 PHE A 43 -9.740 -3.022 -0.187 1.00 0.00 C ATOM 663 CD2 PHE A 43 -7.416 -2.507 -0.201 1.00 0.00 C ATOM 664 CE1 PHE A 43 -10.012 -1.833 -0.827 1.00 0.00 C ATOM 665 CE2 PHE A 43 -7.682 -1.316 -0.841 1.00 0.00 C ATOM 666 CZ PHE A 43 -8.981 -0.979 -1.155 1.00 0.00 C ATOM 0 H PHE A 43 -9.292 -3.541 2.748 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.152 -5.389 0.870 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -7.319 -4.511 1.528 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.778 -5.386 0.080 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.551 -3.689 0.067 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.396 -2.767 0.041 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -11.031 -1.570 -1.071 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.873 -0.647 -1.096 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.191 -0.046 -1.658 1.00 0.00 H new ATOM 676 N SER A 44 -7.917 -6.694 2.974 1.00 0.00 N ATOM 677 CA SER A 44 -7.435 -7.957 3.505 1.00 0.00 C ATOM 678 C SER A 44 -8.418 -8.522 4.529 1.00 0.00 C ATOM 679 O SER A 44 -8.321 -9.681 4.926 1.00 0.00 O ATOM 680 CB SER A 44 -6.054 -7.785 4.114 1.00 0.00 C ATOM 681 OG SER A 44 -5.213 -7.035 3.252 1.00 0.00 O ATOM 0 H SER A 44 -7.424 -5.870 3.317 1.00 0.00 H new ATOM 0 HA SER A 44 -7.358 -8.670 2.684 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.137 -7.282 5.077 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.610 -8.763 4.302 1.00 0.00 H new ATOM 0 HG SER A 44 -4.433 -7.574 3.005 1.00 0.00 H new ATOM 687 N GLU A 45 -9.348 -7.684 4.974 1.00 0.00 N ATOM 688 CA GLU A 45 -10.459 -8.139 5.799 1.00 0.00 C ATOM 689 C GLU A 45 -11.271 -9.171 5.021 1.00 0.00 C ATOM 690 O GLU A 45 -11.816 -10.120 5.589 1.00 0.00 O ATOM 691 CB GLU A 45 -11.336 -6.947 6.186 1.00 0.00 C ATOM 692 CG GLU A 45 -12.504 -7.289 7.094 1.00 0.00 C ATOM 693 CD GLU A 45 -13.395 -6.091 7.346 1.00 0.00 C ATOM 694 OE1 GLU A 45 -13.026 -5.232 8.175 1.00 0.00 O ATOM 695 OE2 GLU A 45 -14.465 -5.999 6.709 1.00 0.00 O ATOM 0 H GLU A 45 -9.353 -6.683 4.776 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.079 -8.599 6.711 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.714 -6.201 6.681 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.723 -6.487 5.277 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.091 -8.089 6.644 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.126 -7.666 8.044 1.00 0.00 H new ATOM 702 N GLN A 46 -11.331 -8.980 3.708 1.00 0.00 N ATOM 703 CA GLN A 46 -11.973 -9.928 2.822 1.00 0.00 C ATOM 704 C GLN A 46 -10.988 -11.012 2.416 1.00 0.00 C ATOM 705 O GLN A 46 -11.295 -12.200 2.470 1.00 0.00 O ATOM 706 CB GLN A 46 -12.498 -9.220 1.568 1.00 0.00 C ATOM 707 CG GLN A 46 -13.660 -8.278 1.827 1.00 0.00 C ATOM 708 CD GLN A 46 -15.011 -8.975 1.802 1.00 0.00 C ATOM 709 OE1 GLN A 46 -16.017 -8.369 1.439 1.00 0.00 O ATOM 710 NE2 GLN A 46 -15.049 -10.247 2.175 1.00 0.00 N ATOM 0 H GLN A 46 -10.937 -8.167 3.235 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.812 -10.380 3.352 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.683 -8.657 1.114 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -12.809 -9.972 0.843 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.523 -7.800 2.797 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.652 -7.487 1.077 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -14.194 -10.718 2.470 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -15.934 -10.755 2.167 1.00 0.00 H new ATOM 719 N TYR A 47 -9.802 -10.591 2.006 1.00 0.00 N ATOM 720 CA TYR A 47 -8.794 -11.515 1.521 1.00 0.00 C ATOM 721 C TYR A 47 -7.447 -11.315 2.215 1.00 0.00 C ATOM 722 O TYR A 47 -6.573 -10.605 1.721 1.00 0.00 O ATOM 723 CB TYR A 47 -8.649 -11.366 0.008 1.00 0.00 C ATOM 724 CG TYR A 47 -8.755 -9.942 -0.495 1.00 0.00 C ATOM 725 CD1 TYR A 47 -7.673 -9.068 -0.447 1.00 0.00 C ATOM 726 CD2 TYR A 47 -9.953 -9.474 -1.016 1.00 0.00 C ATOM 727 CE1 TYR A 47 -7.790 -7.770 -0.907 1.00 0.00 C ATOM 728 CE2 TYR A 47 -10.074 -8.181 -1.475 1.00 0.00 C ATOM 729 CZ TYR A 47 -8.993 -7.336 -1.419 1.00 0.00 C ATOM 730 OH TYR A 47 -9.117 -6.046 -1.864 1.00 0.00 O ATOM 0 H TYR A 47 -9.515 -9.612 2.000 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.123 -12.527 1.758 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.684 -11.774 -0.294 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.416 -11.968 -0.479 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.730 -9.408 -0.045 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.806 -10.135 -1.062 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.944 -7.100 -0.865 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.014 -7.833 -1.877 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.770 -5.570 -1.310 1.00 0.00 H new ATOM 740 N PRO A 48 -7.249 -11.962 3.372 1.00 0.00 N ATOM 741 CA PRO A 48 -5.990 -11.878 4.114 1.00 0.00 C ATOM 742 C PRO A 48 -4.862 -12.646 3.428 1.00 0.00 C ATOM 743 O PRO A 48 -3.733 -12.686 3.923 1.00 0.00 O ATOM 744 CB PRO A 48 -6.334 -12.498 5.466 1.00 0.00 C ATOM 745 CG PRO A 48 -7.442 -13.446 5.169 1.00 0.00 C ATOM 746 CD PRO A 48 -8.238 -12.813 4.062 1.00 0.00 C ATOM 0 HA PRO A 48 -5.623 -10.855 4.189 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -5.475 -13.013 5.897 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -6.643 -11.738 6.184 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.054 -14.418 4.865 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.061 -13.612 6.050 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -8.660 -13.562 3.392 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -9.071 -12.227 4.451 1.00 0.00 H new ATOM 754 N GLN A 49 -5.183 -13.274 2.295 1.00 0.00 N ATOM 755 CA GLN A 49 -4.184 -13.953 1.473 1.00 0.00 C ATOM 756 C GLN A 49 -3.219 -12.951 0.846 1.00 0.00 C ATOM 757 O GLN A 49 -2.167 -13.323 0.327 1.00 0.00 O ATOM 758 CB GLN A 49 -4.851 -14.801 0.393 1.00 0.00 C ATOM 759 CG GLN A 49 -5.792 -14.013 -0.461 1.00 0.00 C ATOM 760 CD GLN A 49 -5.115 -13.327 -1.634 1.00 0.00 C ATOM 761 OE1 GLN A 49 -4.116 -13.812 -2.162 1.00 0.00 O ATOM 762 NE2 GLN A 49 -5.661 -12.201 -2.057 1.00 0.00 N ATOM 0 H GLN A 49 -6.133 -13.325 1.926 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.613 -14.615 2.123 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.083 -15.249 -0.238 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.394 -15.620 0.864 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.570 -14.677 -0.838 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.285 -13.261 0.154 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.490 -11.830 -1.593 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.254 -11.702 -2.848 1.00 0.00 H new ATOM 771 N ALA A 50 -3.586 -11.679 0.905 1.00 0.00 N ATOM 772 CA ALA A 50 -2.732 -10.614 0.413 1.00 0.00 C ATOM 773 C ALA A 50 -2.020 -9.978 1.585 1.00 0.00 C ATOM 774 O ALA A 50 -2.496 -10.054 2.719 1.00 0.00 O ATOM 775 CB ALA A 50 -3.547 -9.563 -0.325 1.00 0.00 C ATOM 0 H ALA A 50 -4.475 -11.361 1.291 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.007 -11.033 -0.285 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.885 -8.775 -0.684 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.055 -10.025 -1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.287 -9.135 0.352 1.00 0.00 H new ATOM 781 N ASP A 51 -0.888 -9.358 1.328 1.00 0.00 N ATOM 782 CA ASP A 51 -0.108 -8.790 2.402 1.00 0.00 C ATOM 783 C ASP A 51 -0.478 -7.348 2.643 1.00 0.00 C ATOM 784 O ASP A 51 -0.469 -6.519 1.733 1.00 0.00 O ATOM 785 CB ASP A 51 1.391 -8.927 2.156 1.00 0.00 C ATOM 786 CG ASP A 51 1.875 -10.336 2.404 1.00 0.00 C ATOM 787 OD1 ASP A 51 1.755 -11.186 1.499 1.00 0.00 O ATOM 788 OD2 ASP A 51 2.375 -10.602 3.512 1.00 0.00 O ATOM 0 H ASP A 51 -0.492 -9.236 0.396 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.346 -9.360 3.300 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.618 -8.640 1.129 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.930 -8.238 2.806 1.00 0.00 H new ATOM 793 N PHE A 52 -0.801 -7.076 3.889 1.00 0.00 N ATOM 794 CA PHE A 52 -1.269 -5.775 4.309 1.00 0.00 C ATOM 795 C PHE A 52 -0.155 -5.007 5.003 1.00 0.00 C ATOM 796 O PHE A 52 0.302 -5.393 6.079 1.00 0.00 O ATOM 797 CB PHE A 52 -2.460 -5.952 5.258 1.00 0.00 C ATOM 798 CG PHE A 52 -2.400 -7.221 6.076 1.00 0.00 C ATOM 799 CD1 PHE A 52 -1.636 -7.292 7.231 1.00 0.00 C ATOM 800 CD2 PHE A 52 -3.104 -8.348 5.681 1.00 0.00 C ATOM 801 CE1 PHE A 52 -1.576 -8.457 7.971 1.00 0.00 C ATOM 802 CE2 PHE A 52 -3.048 -9.516 6.417 1.00 0.00 C ATOM 803 CZ PHE A 52 -2.283 -9.571 7.564 1.00 0.00 C ATOM 0 H PHE A 52 -0.745 -7.759 4.645 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.581 -5.205 3.434 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.506 -5.097 5.933 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.381 -5.949 4.675 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.080 -6.425 7.556 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.705 -8.313 4.785 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.976 -8.496 8.868 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.602 -10.385 6.095 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.237 -10.482 8.142 1.00 0.00 H new ATOM 813 N TYR A 53 0.283 -3.920 4.394 1.00 0.00 N ATOM 814 CA TYR A 53 1.286 -3.070 5.017 1.00 0.00 C ATOM 815 C TYR A 53 0.975 -1.605 4.790 1.00 0.00 C ATOM 816 O TYR A 53 0.333 -1.246 3.809 1.00 0.00 O ATOM 817 CB TYR A 53 2.687 -3.383 4.489 1.00 0.00 C ATOM 818 CG TYR A 53 3.201 -4.771 4.807 1.00 0.00 C ATOM 819 CD1 TYR A 53 3.777 -5.054 6.037 1.00 0.00 C ATOM 820 CD2 TYR A 53 3.137 -5.787 3.863 1.00 0.00 C ATOM 821 CE1 TYR A 53 4.273 -6.312 6.319 1.00 0.00 C ATOM 822 CE2 TYR A 53 3.627 -7.050 4.138 1.00 0.00 C ATOM 823 CZ TYR A 53 4.196 -7.307 5.367 1.00 0.00 C ATOM 824 OH TYR A 53 4.696 -8.559 5.644 1.00 0.00 O ATOM 0 H TYR A 53 -0.035 -3.605 3.477 1.00 0.00 H new ATOM 0 HA TYR A 53 1.261 -3.277 6.087 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.688 -3.252 3.407 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.384 -2.652 4.899 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.839 -4.278 6.786 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.697 -5.587 2.897 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.719 -6.516 7.281 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.564 -7.831 3.394 1.00 0.00 H new ATOM 0 HH TYR A 53 4.362 -9.199 4.981 1.00 0.00 H new ATOM 834 N LYS A 54 1.428 -0.765 5.713 1.00 0.00 N ATOM 835 CA LYS A 54 1.150 0.657 5.648 1.00 0.00 C ATOM 836 C LYS A 54 2.293 1.463 6.262 1.00 0.00 C ATOM 837 O LYS A 54 3.027 0.955 7.113 1.00 0.00 O ATOM 838 CB LYS A 54 -0.182 0.941 6.349 1.00 0.00 C ATOM 839 CG LYS A 54 -0.174 0.798 7.864 1.00 0.00 C ATOM 840 CD LYS A 54 -1.588 0.939 8.418 1.00 0.00 C ATOM 841 CE LYS A 54 -1.627 0.865 9.938 1.00 0.00 C ATOM 842 NZ LYS A 54 -1.091 2.096 10.581 1.00 0.00 N ATOM 0 H LYS A 54 1.990 -1.049 6.515 1.00 0.00 H new ATOM 0 HA LYS A 54 1.069 0.965 4.606 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.494 1.955 6.100 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.936 0.267 5.943 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.237 -0.172 8.142 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.473 1.557 8.304 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.009 1.890 8.093 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.218 0.152 8.003 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.655 0.706 10.265 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.049 0.003 10.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.655 2.320 11.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.101 1.940 10.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.142 2.889 9.910 1.00 0.00 H new ATOM 856 N LEU A 55 2.454 2.707 5.811 1.00 0.00 N ATOM 857 CA LEU A 55 3.532 3.561 6.276 1.00 0.00 C ATOM 858 C LEU A 55 3.181 5.027 6.011 1.00 0.00 C ATOM 859 O LEU A 55 2.512 5.345 5.024 1.00 0.00 O ATOM 860 CB LEU A 55 4.837 3.152 5.566 1.00 0.00 C ATOM 861 CG LEU A 55 6.103 3.943 5.923 1.00 0.00 C ATOM 862 CD1 LEU A 55 7.342 3.129 5.585 1.00 0.00 C ATOM 863 CD2 LEU A 55 6.135 5.248 5.164 1.00 0.00 C ATOM 0 H LEU A 55 1.844 3.142 5.119 1.00 0.00 H new ATOM 0 HA LEU A 55 3.673 3.444 7.350 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.024 2.100 5.780 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.678 3.235 4.491 1.00 0.00 H new ATOM 0 HG LEU A 55 6.090 4.151 6.993 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.234 3.700 5.842 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.331 2.198 6.151 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.350 2.905 4.518 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.038 5.799 5.426 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.131 5.046 4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.259 5.842 5.424 1.00 0.00 H new ATOM 875 N ASP A 56 3.626 5.907 6.902 1.00 0.00 N ATOM 876 CA ASP A 56 3.386 7.336 6.773 1.00 0.00 C ATOM 877 C ASP A 56 4.606 8.050 6.200 1.00 0.00 C ATOM 878 O ASP A 56 5.704 7.948 6.749 1.00 0.00 O ATOM 879 CB ASP A 56 3.058 7.930 8.140 1.00 0.00 C ATOM 880 CG ASP A 56 1.702 7.505 8.655 1.00 0.00 C ATOM 881 OD1 ASP A 56 0.707 8.181 8.336 1.00 0.00 O ATOM 882 OD2 ASP A 56 1.629 6.494 9.390 1.00 0.00 O ATOM 0 H ASP A 56 4.161 5.649 7.731 1.00 0.00 H new ATOM 0 HA ASP A 56 2.547 7.476 6.092 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.824 7.628 8.855 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.092 9.018 8.076 1.00 0.00 H new ATOM 887 N VAL A 57 4.411 8.793 5.107 1.00 0.00 N ATOM 888 CA VAL A 57 5.501 9.551 4.490 1.00 0.00 C ATOM 889 C VAL A 57 5.969 10.640 5.448 1.00 0.00 C ATOM 890 O VAL A 57 7.096 11.119 5.361 1.00 0.00 O ATOM 891 CB VAL A 57 5.098 10.196 3.132 1.00 0.00 C ATOM 892 CG1 VAL A 57 4.005 9.396 2.445 1.00 0.00 C ATOM 893 CG2 VAL A 57 4.678 11.649 3.293 1.00 0.00 C ATOM 0 H VAL A 57 3.512 8.885 4.633 1.00 0.00 H new ATOM 0 HA VAL A 57 6.306 8.845 4.285 1.00 0.00 H new ATOM 0 HB VAL A 57 5.985 10.179 2.499 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.745 9.872 1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.360 8.383 2.256 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.124 9.358 3.086 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.405 12.059 2.320 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.822 11.708 3.965 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.506 12.223 3.709 1.00 0.00 H new ATOM 903 N ASP A 58 5.079 11.015 6.368 1.00 0.00 N ATOM 904 CA ASP A 58 5.398 11.976 7.415 1.00 0.00 C ATOM 905 C ASP A 58 6.561 11.455 8.243 1.00 0.00 C ATOM 906 O ASP A 58 7.422 12.216 8.685 1.00 0.00 O ATOM 907 CB ASP A 58 4.176 12.208 8.311 1.00 0.00 C ATOM 908 CG ASP A 58 4.464 13.126 9.487 1.00 0.00 C ATOM 909 OD1 ASP A 58 4.868 12.626 10.556 1.00 0.00 O ATOM 910 OD2 ASP A 58 4.272 14.351 9.356 1.00 0.00 O ATOM 0 H ASP A 58 4.123 10.661 6.405 1.00 0.00 H new ATOM 0 HA ASP A 58 5.678 12.925 6.957 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.371 12.635 7.713 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.820 11.248 8.686 1.00 0.00 H new ATOM 915 N GLU A 59 6.587 10.144 8.429 1.00 0.00 N ATOM 916 CA GLU A 59 7.653 9.508 9.181 1.00 0.00 C ATOM 917 C GLU A 59 8.825 9.142 8.267 1.00 0.00 C ATOM 918 O GLU A 59 9.985 9.372 8.614 1.00 0.00 O ATOM 919 CB GLU A 59 7.126 8.254 9.887 1.00 0.00 C ATOM 920 CG GLU A 59 8.122 7.623 10.847 1.00 0.00 C ATOM 921 CD GLU A 59 8.453 8.528 12.016 1.00 0.00 C ATOM 922 OE1 GLU A 59 9.390 9.346 11.899 1.00 0.00 O ATOM 923 OE2 GLU A 59 7.775 8.430 13.059 1.00 0.00 O ATOM 0 H GLU A 59 5.881 9.502 8.069 1.00 0.00 H new ATOM 0 HA GLU A 59 8.010 10.216 9.929 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.220 8.512 10.436 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.844 7.517 9.135 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.715 6.684 11.222 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.038 7.381 10.308 1.00 0.00 H new ATOM 930 N LEU A 60 8.530 8.591 7.091 1.00 0.00 N ATOM 931 CA LEU A 60 9.590 8.136 6.193 1.00 0.00 C ATOM 932 C LEU A 60 9.390 8.629 4.753 1.00 0.00 C ATOM 933 O LEU A 60 8.769 7.956 3.917 1.00 0.00 O ATOM 934 CB LEU A 60 9.667 6.613 6.242 1.00 0.00 C ATOM 935 CG LEU A 60 9.943 6.033 7.631 1.00 0.00 C ATOM 936 CD1 LEU A 60 9.685 4.540 7.646 1.00 0.00 C ATOM 937 CD2 LEU A 60 11.372 6.324 8.060 1.00 0.00 C ATOM 0 H LEU A 60 7.582 8.450 6.742 1.00 0.00 H new ATOM 0 HA LEU A 60 10.532 8.564 6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.727 6.203 5.872 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.451 6.280 5.561 1.00 0.00 H new ATOM 0 HG LEU A 60 9.265 6.510 8.339 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.887 4.146 8.642 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.645 4.348 7.384 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.338 4.051 6.923 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.548 5.903 9.050 1.00 0.00 H new ATOM 0 HD22 LEU A 60 12.064 5.876 7.347 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.530 7.402 8.091 1.00 0.00 H new ATOM 949 N GLY A 61 9.950 9.800 4.465 1.00 0.00 N ATOM 950 CA GLY A 61 9.795 10.414 3.158 1.00 0.00 C ATOM 951 C GLY A 61 10.692 9.800 2.097 1.00 0.00 C ATOM 952 O GLY A 61 10.308 9.714 0.931 1.00 0.00 O ATOM 0 H GLY A 61 10.514 10.340 5.121 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.756 10.323 2.842 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.013 11.479 3.236 1.00 0.00 H new ATOM 956 N ASP A 62 11.885 9.366 2.491 1.00 0.00 N ATOM 957 CA ASP A 62 12.815 8.751 1.543 1.00 0.00 C ATOM 958 C ASP A 62 12.280 7.413 1.087 1.00 0.00 C ATOM 959 O ASP A 62 12.522 6.981 -0.040 1.00 0.00 O ATOM 960 CB ASP A 62 14.211 8.585 2.147 1.00 0.00 C ATOM 961 CG ASP A 62 14.918 9.907 2.364 1.00 0.00 C ATOM 962 OD1 ASP A 62 15.566 10.403 1.420 1.00 0.00 O ATOM 963 OD2 ASP A 62 14.834 10.460 3.482 1.00 0.00 O ATOM 0 H ASP A 62 12.230 9.426 3.449 1.00 0.00 H new ATOM 0 HA ASP A 62 12.904 9.416 0.684 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.130 8.061 3.099 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.814 7.959 1.489 1.00 0.00 H new ATOM 968 N VAL A 63 11.534 6.773 1.967 1.00 0.00 N ATOM 969 CA VAL A 63 10.831 5.555 1.622 1.00 0.00 C ATOM 970 C VAL A 63 9.813 5.851 0.537 1.00 0.00 C ATOM 971 O VAL A 63 9.784 5.173 -0.480 1.00 0.00 O ATOM 972 CB VAL A 63 10.118 4.951 2.838 1.00 0.00 C ATOM 973 CG1 VAL A 63 9.342 3.703 2.446 1.00 0.00 C ATOM 974 CG2 VAL A 63 11.111 4.622 3.937 1.00 0.00 C ATOM 0 H VAL A 63 11.400 7.079 2.931 1.00 0.00 H new ATOM 0 HA VAL A 63 11.564 4.831 1.266 1.00 0.00 H new ATOM 0 HB VAL A 63 9.415 5.694 3.215 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.845 3.293 3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.596 3.960 1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.028 2.961 2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.582 4.195 4.789 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.840 3.903 3.565 1.00 0.00 H new ATOM 0 HG23 VAL A 63 11.625 5.532 4.248 1.00 0.00 H new ATOM 984 N ALA A 64 8.994 6.884 0.752 1.00 0.00 N ATOM 985 CA ALA A 64 8.028 7.327 -0.249 1.00 0.00 C ATOM 986 C ALA A 64 8.667 7.436 -1.629 1.00 0.00 C ATOM 987 O ALA A 64 8.098 7.003 -2.631 1.00 0.00 O ATOM 988 CB ALA A 64 7.436 8.669 0.147 1.00 0.00 C ATOM 0 H ALA A 64 8.983 7.429 1.614 1.00 0.00 H new ATOM 0 HA ALA A 64 7.236 6.580 -0.296 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.718 8.987 -0.609 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.933 8.575 1.109 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.232 9.409 0.225 1.00 0.00 H new ATOM 994 N GLN A 65 9.870 7.979 -1.663 1.00 0.00 N ATOM 995 CA GLN A 65 10.570 8.201 -2.925 1.00 0.00 C ATOM 996 C GLN A 65 11.045 6.881 -3.514 1.00 0.00 C ATOM 997 O GLN A 65 11.046 6.695 -4.729 1.00 0.00 O ATOM 998 CB GLN A 65 11.753 9.148 -2.723 1.00 0.00 C ATOM 999 CG GLN A 65 11.365 10.486 -2.117 1.00 0.00 C ATOM 1000 CD GLN A 65 10.355 11.251 -2.954 1.00 0.00 C ATOM 1001 OE1 GLN A 65 10.411 11.085 -4.267 1.00 0.00 O flip ATOM 1002 NE2 GLN A 65 9.533 11.993 -2.420 1.00 0.00 N flip ATOM 0 H GLN A 65 10.386 8.276 -0.835 1.00 0.00 H new ATOM 0 HA GLN A 65 9.873 8.661 -3.625 1.00 0.00 H new ATOM 0 HB2 GLN A 65 12.487 8.666 -2.078 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.237 9.321 -3.684 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.952 10.321 -1.122 1.00 0.00 H new ATOM 0 HG3 GLN A 65 12.261 11.095 -1.993 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.521 12.095 -1.405 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.863 12.507 -2.992 1.00 0.00 H new ATOM 1011 N LYS A 66 11.425 5.963 -2.637 1.00 0.00 N ATOM 1012 CA LYS A 66 11.853 4.641 -3.028 1.00 0.00 C ATOM 1013 C LYS A 66 10.732 3.888 -3.757 1.00 0.00 C ATOM 1014 O LYS A 66 10.989 3.019 -4.592 1.00 0.00 O ATOM 1015 CB LYS A 66 12.298 3.900 -1.757 1.00 0.00 C ATOM 1016 CG LYS A 66 11.948 2.429 -1.718 1.00 0.00 C ATOM 1017 CD LYS A 66 12.883 1.580 -2.565 1.00 0.00 C ATOM 1018 CE LYS A 66 12.522 0.105 -2.472 1.00 0.00 C ATOM 1019 NZ LYS A 66 13.448 -0.746 -3.262 1.00 0.00 N ATOM 0 H LYS A 66 11.443 6.122 -1.630 1.00 0.00 H new ATOM 0 HA LYS A 66 12.684 4.705 -3.730 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.378 4.004 -1.654 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.847 4.388 -0.893 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.981 2.079 -0.686 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.924 2.294 -2.068 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.832 1.905 -3.604 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.911 1.727 -2.235 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.543 -0.208 -1.428 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.502 -0.042 -2.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.322 -1.742 -2.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.242 -0.635 -4.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.430 -0.458 -3.075 1.00 0.00 H new ATOM 1033 N ASN A 67 9.489 4.249 -3.462 1.00 0.00 N ATOM 1034 CA ASN A 67 8.346 3.498 -3.942 1.00 0.00 C ATOM 1035 C ASN A 67 7.651 4.223 -5.068 1.00 0.00 C ATOM 1036 O ASN A 67 6.778 3.655 -5.721 1.00 0.00 O ATOM 1037 CB ASN A 67 7.353 3.320 -2.820 1.00 0.00 C ATOM 1038 CG ASN A 67 8.003 2.970 -1.512 1.00 0.00 C ATOM 1039 OD1 ASN A 67 7.554 3.628 -0.469 1.00 0.00 O flip ATOM 1040 ND2 ASN A 67 8.925 2.163 -1.443 1.00 0.00 N flip ATOM 0 H ASN A 67 9.251 5.060 -2.891 1.00 0.00 H new ATOM 0 HA ASN A 67 8.707 2.534 -4.301 1.00 0.00 H new ATOM 0 HB2 ASN A 67 6.780 4.239 -2.700 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.645 2.536 -3.089 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.240 1.675 -2.282 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.377 1.980 -0.547 1.00 0.00 H new ATOM 1047 N GLU A 68 8.042 5.482 -5.268 1.00 0.00 N ATOM 1048 CA GLU A 68 7.446 6.356 -6.274 1.00 0.00 C ATOM 1049 C GLU A 68 6.134 6.948 -5.783 1.00 0.00 C ATOM 1050 O GLU A 68 5.260 7.288 -6.584 1.00 0.00 O ATOM 1051 CB GLU A 68 7.179 5.627 -7.592 1.00 0.00 C ATOM 1052 CG GLU A 68 8.403 5.004 -8.239 1.00 0.00 C ATOM 1053 CD GLU A 68 8.074 4.388 -9.580 1.00 0.00 C ATOM 1054 OE1 GLU A 68 7.587 3.236 -9.613 1.00 0.00 O ATOM 1055 OE2 GLU A 68 8.291 5.057 -10.611 1.00 0.00 O ATOM 0 H GLU A 68 8.787 5.926 -4.731 1.00 0.00 H new ATOM 0 HA GLU A 68 8.173 7.149 -6.448 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.442 4.844 -7.414 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.733 6.330 -8.295 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.174 5.764 -8.367 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.815 4.241 -7.579 1.00 0.00 H new ATOM 1062 N VAL A 69 5.986 7.077 -4.478 1.00 0.00 N ATOM 1063 CA VAL A 69 4.780 7.665 -3.927 1.00 0.00 C ATOM 1064 C VAL A 69 5.032 9.090 -3.440 1.00 0.00 C ATOM 1065 O VAL A 69 5.766 9.325 -2.480 1.00 0.00 O ATOM 1066 CB VAL A 69 4.139 6.788 -2.814 1.00 0.00 C ATOM 1067 CG1 VAL A 69 5.175 6.157 -1.898 1.00 0.00 C ATOM 1068 CG2 VAL A 69 3.146 7.600 -1.997 1.00 0.00 C ATOM 0 H VAL A 69 6.677 6.786 -3.787 1.00 0.00 H new ATOM 0 HA VAL A 69 4.055 7.710 -4.740 1.00 0.00 H new ATOM 0 HB VAL A 69 3.615 5.976 -3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.673 5.556 -1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.839 5.521 -2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.757 6.941 -1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.709 6.968 -1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.660 8.441 -1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.357 7.973 -2.650 1.00 0.00 H new ATOM 1078 N SER A 70 4.446 10.037 -4.158 1.00 0.00 N ATOM 1079 CA SER A 70 4.510 11.440 -3.793 1.00 0.00 C ATOM 1080 C SER A 70 3.119 11.933 -3.420 1.00 0.00 C ATOM 1081 O SER A 70 2.957 12.764 -2.526 1.00 0.00 O ATOM 1082 CB SER A 70 5.081 12.264 -4.953 1.00 0.00 C ATOM 1083 OG SER A 70 5.137 13.647 -4.636 1.00 0.00 O ATOM 0 H SER A 70 3.914 9.852 -5.008 1.00 0.00 H new ATOM 0 HA SER A 70 5.170 11.559 -2.933 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.081 11.906 -5.197 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.465 12.119 -5.841 1.00 0.00 H new ATOM 0 HG SER A 70 5.507 14.142 -5.396 1.00 0.00 H new ATOM 1089 N ALA A 71 2.114 11.398 -4.103 1.00 0.00 N ATOM 1090 CA ALA A 71 0.734 11.743 -3.823 1.00 0.00 C ATOM 1091 C ALA A 71 0.247 10.976 -2.608 1.00 0.00 C ATOM 1092 O ALA A 71 0.823 9.952 -2.238 1.00 0.00 O ATOM 1093 CB ALA A 71 -0.144 11.444 -5.027 1.00 0.00 C ATOM 0 H ALA A 71 2.234 10.721 -4.857 1.00 0.00 H new ATOM 0 HA ALA A 71 0.674 12.811 -3.613 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.176 11.709 -4.799 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.200 12.026 -5.882 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.086 10.382 -5.265 1.00 0.00 H new ATOM 1099 N MET A 72 -0.807 11.465 -1.986 1.00 0.00 N ATOM 1100 CA MET A 72 -1.326 10.843 -0.785 1.00 0.00 C ATOM 1101 C MET A 72 -2.826 11.078 -0.654 1.00 0.00 C ATOM 1102 O MET A 72 -3.326 12.157 -0.967 1.00 0.00 O ATOM 1103 CB MET A 72 -0.585 11.377 0.445 1.00 0.00 C ATOM 1104 CG MET A 72 -0.603 12.893 0.555 1.00 0.00 C ATOM 1105 SD MET A 72 0.401 13.504 1.919 1.00 0.00 S ATOM 1106 CE MET A 72 2.030 12.958 1.411 1.00 0.00 C ATOM 0 H MET A 72 -1.321 12.291 -2.292 1.00 0.00 H new ATOM 0 HA MET A 72 -1.162 9.768 -0.854 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.033 10.951 1.342 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.450 11.036 0.412 1.00 0.00 H new ATOM 0 HG2 MET A 72 -0.242 13.325 -0.378 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.631 13.231 0.686 1.00 0.00 H new ATOM 0 HE1 MET A 72 2.786 13.609 1.851 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.192 11.934 1.748 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.105 12.998 0.324 1.00 0.00 H new ATOM 1116 N PRO A 73 -3.562 10.059 -0.197 1.00 0.00 N ATOM 1117 CA PRO A 73 -2.989 8.752 0.127 1.00 0.00 C ATOM 1118 C PRO A 73 -2.775 7.864 -1.107 1.00 0.00 C ATOM 1119 O PRO A 73 -3.503 7.960 -2.093 1.00 0.00 O ATOM 1120 CB PRO A 73 -4.026 8.149 1.066 1.00 0.00 C ATOM 1121 CG PRO A 73 -5.329 8.765 0.666 1.00 0.00 C ATOM 1122 CD PRO A 73 -5.012 10.111 0.063 1.00 0.00 C ATOM 0 HA PRO A 73 -1.994 8.839 0.563 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.059 7.064 0.970 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.790 8.370 2.107 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.850 8.133 -0.053 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.986 8.874 1.529 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.575 10.279 -0.855 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.265 10.923 0.745 1.00 0.00 H new ATOM 1130 N THR A 74 -1.771 7.000 -1.025 1.00 0.00 N ATOM 1131 CA THR A 74 -1.383 6.130 -2.130 1.00 0.00 C ATOM 1132 C THR A 74 -1.476 4.662 -1.735 1.00 0.00 C ATOM 1133 O THR A 74 -1.245 4.291 -0.585 1.00 0.00 O ATOM 1134 CB THR A 74 0.062 6.452 -2.597 1.00 0.00 C ATOM 1135 OG1 THR A 74 0.074 7.666 -3.356 1.00 0.00 O ATOM 1136 CG2 THR A 74 0.674 5.327 -3.429 1.00 0.00 C ATOM 0 H THR A 74 -1.200 6.882 -0.188 1.00 0.00 H new ATOM 0 HA THR A 74 -2.076 6.314 -2.951 1.00 0.00 H new ATOM 0 HB THR A 74 0.668 6.564 -1.698 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.201 8.428 -2.753 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.684 5.605 -3.729 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.710 4.414 -2.835 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.065 5.159 -4.317 1.00 0.00 H new ATOM 1144 N LEU A 75 -1.839 3.844 -2.702 1.00 0.00 N ATOM 1145 CA LEU A 75 -1.865 2.411 -2.540 1.00 0.00 C ATOM 1146 C LEU A 75 -0.932 1.783 -3.566 1.00 0.00 C ATOM 1147 O LEU A 75 -1.082 2.019 -4.768 1.00 0.00 O ATOM 1148 CB LEU A 75 -3.271 1.884 -2.773 1.00 0.00 C ATOM 1149 CG LEU A 75 -4.380 2.555 -1.969 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -5.032 3.690 -2.754 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -5.407 1.526 -1.579 1.00 0.00 C ATOM 0 H LEU A 75 -2.126 4.161 -3.628 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.548 2.159 -1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.505 1.987 -3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.280 0.818 -2.547 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.941 2.991 -1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.817 4.145 -2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.281 4.441 -2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.464 3.295 -3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.201 2.004 -1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.830 1.076 -2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.935 0.753 -0.973 1.00 0.00 H new ATOM 1163 N LEU A 76 0.030 1.005 -3.112 1.00 0.00 N ATOM 1164 CA LEU A 76 0.965 0.373 -4.030 1.00 0.00 C ATOM 1165 C LEU A 76 0.962 -1.144 -3.887 1.00 0.00 C ATOM 1166 O LEU A 76 1.371 -1.682 -2.862 1.00 0.00 O ATOM 1167 CB LEU A 76 2.375 0.921 -3.808 1.00 0.00 C ATOM 1168 CG LEU A 76 2.807 2.038 -4.767 1.00 0.00 C ATOM 1169 CD1 LEU A 76 4.178 2.579 -4.380 1.00 0.00 C ATOM 1170 CD2 LEU A 76 2.823 1.529 -6.203 1.00 0.00 C ATOM 0 H LEU A 76 0.187 0.795 -2.126 1.00 0.00 H new ATOM 0 HA LEU A 76 0.642 0.609 -5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.444 1.296 -2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.084 0.098 -3.894 1.00 0.00 H new ATOM 0 HG LEU A 76 2.084 2.851 -4.694 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.466 3.370 -5.073 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.138 2.980 -3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.912 1.774 -4.423 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.131 2.333 -6.871 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.524 0.699 -6.287 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.825 1.190 -6.480 1.00 0.00 H new ATOM 1182 N LEU A 77 0.487 -1.822 -4.923 1.00 0.00 N ATOM 1183 CA LEU A 77 0.532 -3.273 -4.988 1.00 0.00 C ATOM 1184 C LEU A 77 1.782 -3.704 -5.744 1.00 0.00 C ATOM 1185 O LEU A 77 2.091 -3.153 -6.805 1.00 0.00 O ATOM 1186 CB LEU A 77 -0.692 -3.840 -5.725 1.00 0.00 C ATOM 1187 CG LEU A 77 -2.075 -3.696 -5.071 1.00 0.00 C ATOM 1188 CD1 LEU A 77 -2.394 -2.250 -4.710 1.00 0.00 C ATOM 1189 CD2 LEU A 77 -3.117 -4.236 -6.032 1.00 0.00 C ATOM 0 H LEU A 77 0.061 -1.382 -5.739 1.00 0.00 H new ATOM 0 HA LEU A 77 0.539 -3.653 -3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.738 -3.365 -6.705 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.514 -4.902 -5.894 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.079 -4.261 -4.139 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.381 -2.199 -4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.648 -1.877 -4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.381 -1.638 -5.612 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.107 -4.143 -5.585 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.083 -3.668 -6.962 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.911 -5.286 -6.240 1.00 0.00 H new ATOM 1201 N PHE A 78 2.485 -4.687 -5.215 1.00 0.00 N ATOM 1202 CA PHE A 78 3.662 -5.233 -5.880 1.00 0.00 C ATOM 1203 C PHE A 78 3.618 -6.759 -5.872 1.00 0.00 C ATOM 1204 O PHE A 78 2.929 -7.355 -5.042 1.00 0.00 O ATOM 1205 CB PHE A 78 4.939 -4.766 -5.178 1.00 0.00 C ATOM 1206 CG PHE A 78 5.344 -3.347 -5.479 1.00 0.00 C ATOM 1207 CD1 PHE A 78 4.759 -2.279 -4.819 1.00 0.00 C ATOM 1208 CD2 PHE A 78 6.332 -3.085 -6.412 1.00 0.00 C ATOM 1209 CE1 PHE A 78 5.152 -0.984 -5.090 1.00 0.00 C ATOM 1210 CE2 PHE A 78 6.728 -1.792 -6.683 1.00 0.00 C ATOM 1211 CZ PHE A 78 6.136 -0.740 -6.021 1.00 0.00 C ATOM 0 H PHE A 78 2.263 -5.128 -4.323 1.00 0.00 H new ATOM 0 HA PHE A 78 3.664 -4.875 -6.910 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.803 -4.869 -4.101 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.756 -5.430 -5.461 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.988 -2.461 -4.085 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.800 -3.905 -6.936 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.686 -0.160 -4.570 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.501 -1.605 -7.413 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.443 0.274 -6.232 1.00 0.00 H new ATOM 1221 N LYS A 79 4.321 -7.391 -6.809 1.00 0.00 N ATOM 1222 CA LYS A 79 4.555 -8.827 -6.717 1.00 0.00 C ATOM 1223 C LYS A 79 5.990 -9.155 -7.082 1.00 0.00 C ATOM 1224 O LYS A 79 6.449 -8.815 -8.175 1.00 0.00 O ATOM 1225 CB LYS A 79 3.631 -9.626 -7.636 1.00 0.00 C ATOM 1226 CG LYS A 79 3.509 -11.083 -7.216 1.00 0.00 C ATOM 1227 CD LYS A 79 2.561 -11.863 -8.113 1.00 0.00 C ATOM 1228 CE LYS A 79 1.120 -11.405 -7.950 1.00 0.00 C ATOM 1229 NZ LYS A 79 0.177 -12.265 -8.712 1.00 0.00 N ATOM 0 H LYS A 79 4.732 -6.940 -7.626 1.00 0.00 H new ATOM 0 HA LYS A 79 4.348 -9.108 -5.684 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.642 -9.168 -7.639 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.008 -9.576 -8.657 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.494 -11.549 -7.239 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.156 -11.134 -6.186 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.864 -11.743 -9.153 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.633 -12.925 -7.880 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.852 -11.419 -6.894 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.026 -10.373 -8.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.800 -11.974 -8.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.363 -12.166 -9.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.308 -13.258 -8.431 1.00 0.00 H new ATOM 1243 N ASN A 80 6.698 -9.803 -6.162 1.00 0.00 N ATOM 1244 CA ASN A 80 8.003 -10.381 -6.464 1.00 0.00 C ATOM 1245 C ASN A 80 9.003 -9.303 -6.907 1.00 0.00 C ATOM 1246 O ASN A 80 9.771 -9.483 -7.854 1.00 0.00 O ATOM 1247 CB ASN A 80 7.805 -11.454 -7.537 1.00 0.00 C ATOM 1248 CG ASN A 80 9.062 -12.189 -7.940 1.00 0.00 C ATOM 1249 OD1 ASN A 80 9.975 -12.406 -7.143 1.00 0.00 O ATOM 1250 ND2 ASN A 80 9.106 -12.568 -9.201 1.00 0.00 N ATOM 0 H ASN A 80 6.389 -9.941 -5.200 1.00 0.00 H new ATOM 0 HA ASN A 80 8.429 -10.835 -5.569 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.077 -12.180 -7.174 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.375 -10.987 -8.423 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.923 -13.065 -9.556 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.323 -12.364 -9.822 1.00 0.00 H new ATOM 1257 N GLY A 81 8.969 -8.167 -6.224 1.00 0.00 N ATOM 1258 CA GLY A 81 9.934 -7.111 -6.478 1.00 0.00 C ATOM 1259 C GLY A 81 9.522 -6.181 -7.601 1.00 0.00 C ATOM 1260 O GLY A 81 10.201 -5.188 -7.866 1.00 0.00 O ATOM 0 H GLY A 81 8.288 -7.956 -5.495 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.074 -6.529 -5.567 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.897 -7.559 -6.722 1.00 0.00 H new ATOM 1264 N LYS A 82 8.413 -6.478 -8.261 1.00 0.00 N ATOM 1265 CA LYS A 82 7.915 -5.611 -9.309 1.00 0.00 C ATOM 1266 C LYS A 82 6.516 -5.178 -8.946 1.00 0.00 C ATOM 1267 O LYS A 82 5.887 -5.793 -8.097 1.00 0.00 O ATOM 1268 CB LYS A 82 7.925 -6.301 -10.676 1.00 0.00 C ATOM 1269 CG LYS A 82 6.873 -7.384 -10.837 1.00 0.00 C ATOM 1270 CD LYS A 82 6.803 -7.879 -12.272 1.00 0.00 C ATOM 1271 CE LYS A 82 5.840 -9.045 -12.413 1.00 0.00 C ATOM 1272 NZ LYS A 82 6.321 -10.247 -11.685 1.00 0.00 N ATOM 0 H LYS A 82 7.846 -7.308 -8.089 1.00 0.00 H new ATOM 0 HA LYS A 82 8.571 -4.744 -9.390 1.00 0.00 H new ATOM 0 HB2 LYS A 82 7.777 -5.549 -11.451 1.00 0.00 H new ATOM 0 HB3 LYS A 82 8.909 -6.739 -10.842 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.102 -8.218 -10.174 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.900 -6.996 -10.536 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.487 -7.064 -12.924 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.796 -8.184 -12.601 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.861 -8.756 -12.031 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.712 -9.286 -13.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.788 -11.082 -12.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.333 -10.388 -11.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.179 -10.114 -10.663 1.00 0.00 H new ATOM 1286 N GLU A 83 6.040 -4.120 -9.560 1.00 0.00 N ATOM 1287 CA GLU A 83 4.722 -3.596 -9.261 1.00 0.00 C ATOM 1288 C GLU A 83 3.636 -4.583 -9.702 1.00 0.00 C ATOM 1289 O GLU A 83 3.929 -5.687 -10.171 1.00 0.00 O ATOM 1290 CB GLU A 83 4.559 -2.252 -9.980 1.00 0.00 C ATOM 1291 CG GLU A 83 3.432 -1.377 -9.454 1.00 0.00 C ATOM 1292 CD GLU A 83 3.454 0.003 -10.076 1.00 0.00 C ATOM 1293 OE1 GLU A 83 4.329 0.820 -9.701 1.00 0.00 O ATOM 1294 OE2 GLU A 83 2.618 0.267 -10.965 1.00 0.00 O ATOM 0 H GLU A 83 6.548 -3.600 -10.275 1.00 0.00 H new ATOM 0 HA GLU A 83 4.617 -3.452 -8.186 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.495 -1.699 -9.902 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.388 -2.442 -11.040 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.474 -1.854 -9.662 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.516 -1.289 -8.371 1.00 0.00 H new ATOM 1301 N VAL A 84 2.396 -4.208 -9.449 1.00 0.00 N ATOM 1302 CA VAL A 84 1.235 -4.804 -10.096 1.00 0.00 C ATOM 1303 C VAL A 84 0.128 -3.767 -10.181 1.00 0.00 C ATOM 1304 O VAL A 84 -0.697 -3.800 -11.092 1.00 0.00 O ATOM 1305 CB VAL A 84 0.693 -6.074 -9.405 1.00 0.00 C ATOM 1306 CG1 VAL A 84 1.399 -7.329 -9.896 1.00 0.00 C ATOM 1307 CG2 VAL A 84 0.827 -5.962 -7.911 1.00 0.00 C ATOM 0 H VAL A 84 2.161 -3.473 -8.782 1.00 0.00 H new ATOM 0 HA VAL A 84 1.569 -5.122 -11.084 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.362 -6.158 -9.665 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.989 -8.200 -9.386 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.249 -7.434 -10.971 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.465 -7.253 -9.684 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.440 -6.867 -7.442 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.878 -5.838 -7.648 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.261 -5.100 -7.559 1.00 0.00 H new ATOM 1317 N ALA A 85 0.124 -2.825 -9.239 1.00 0.00 N ATOM 1318 CA ALA A 85 -0.841 -1.739 -9.269 1.00 0.00 C ATOM 1319 C ALA A 85 -0.335 -0.505 -8.540 1.00 0.00 C ATOM 1320 O ALA A 85 0.379 -0.607 -7.543 1.00 0.00 O ATOM 1321 CB ALA A 85 -2.172 -2.174 -8.685 1.00 0.00 C ATOM 0 H ALA A 85 0.774 -2.796 -8.454 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.983 -1.476 -10.317 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.874 -1.341 -8.720 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.568 -3.008 -9.264 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.031 -2.486 -7.650 1.00 0.00 H new ATOM 1327 N LYS A 86 -0.725 0.654 -9.045 1.00 0.00 N ATOM 1328 CA LYS A 86 -0.354 1.929 -8.454 1.00 0.00 C ATOM 1329 C LYS A 86 -1.575 2.840 -8.391 1.00 0.00 C ATOM 1330 O LYS A 86 -2.128 3.217 -9.423 1.00 0.00 O ATOM 1331 CB LYS A 86 0.749 2.580 -9.287 1.00 0.00 C ATOM 1332 CG LYS A 86 1.186 3.946 -8.789 1.00 0.00 C ATOM 1333 CD LYS A 86 2.147 4.599 -9.769 1.00 0.00 C ATOM 1334 CE LYS A 86 2.665 5.930 -9.252 1.00 0.00 C ATOM 1335 NZ LYS A 86 3.406 5.782 -7.973 1.00 0.00 N ATOM 0 H LYS A 86 -1.309 0.737 -9.877 1.00 0.00 H new ATOM 0 HA LYS A 86 0.017 1.766 -7.442 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.615 1.918 -9.302 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.402 2.675 -10.316 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.313 4.583 -8.651 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.665 3.846 -7.815 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.987 3.930 -9.954 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.644 4.751 -10.724 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.319 6.379 -10.000 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.828 6.613 -9.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.055 6.586 -7.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.732 5.760 -7.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.951 4.897 -7.988 1.00 0.00 H new ATOM 1349 N VAL A 87 -2.008 3.180 -7.185 1.00 0.00 N ATOM 1350 CA VAL A 87 -3.218 3.972 -7.010 1.00 0.00 C ATOM 1351 C VAL A 87 -2.961 5.134 -6.062 1.00 0.00 C ATOM 1352 O VAL A 87 -2.237 4.989 -5.083 1.00 0.00 O ATOM 1353 CB VAL A 87 -4.376 3.117 -6.452 1.00 0.00 C ATOM 1354 CG1 VAL A 87 -5.693 3.871 -6.539 1.00 0.00 C ATOM 1355 CG2 VAL A 87 -4.470 1.782 -7.178 1.00 0.00 C ATOM 0 H VAL A 87 -1.541 2.921 -6.316 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.501 4.351 -7.992 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.167 2.914 -5.402 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.495 3.250 -6.140 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.624 4.791 -5.959 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.905 4.113 -7.580 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.294 1.200 -6.765 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.646 1.957 -8.239 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.538 1.232 -7.050 1.00 0.00 H new ATOM 1365 N VAL A 88 -3.546 6.284 -6.358 1.00 0.00 N ATOM 1366 CA VAL A 88 -3.396 7.458 -5.509 1.00 0.00 C ATOM 1367 C VAL A 88 -4.759 7.952 -5.022 1.00 0.00 C ATOM 1368 O VAL A 88 -5.067 9.146 -5.089 1.00 0.00 O ATOM 1369 CB VAL A 88 -2.649 8.599 -6.240 1.00 0.00 C ATOM 1370 CG1 VAL A 88 -1.195 8.220 -6.471 1.00 0.00 C ATOM 1371 CG2 VAL A 88 -3.319 8.935 -7.564 1.00 0.00 C ATOM 0 H VAL A 88 -4.130 6.431 -7.181 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.798 7.161 -4.648 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.687 9.484 -5.605 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.684 9.034 -6.986 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.710 8.037 -5.512 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.147 7.318 -7.081 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.772 9.740 -8.055 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.320 8.054 -8.205 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.346 9.253 -7.382 1.00 0.00 H new ATOM 1381 N GLY A 89 -5.574 7.028 -4.524 1.00 0.00 N ATOM 1382 CA GLY A 89 -6.902 7.381 -4.074 1.00 0.00 C ATOM 1383 C GLY A 89 -7.705 6.171 -3.649 1.00 0.00 C ATOM 1384 O GLY A 89 -7.783 5.179 -4.376 1.00 0.00 O ATOM 0 H GLY A 89 -5.336 6.041 -4.425 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.827 8.076 -3.238 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.428 7.901 -4.875 1.00 0.00 H new ATOM 1388 N ALA A 90 -8.276 6.250 -2.460 1.00 0.00 N ATOM 1389 CA ALA A 90 -9.117 5.198 -1.929 1.00 0.00 C ATOM 1390 C ALA A 90 -10.357 4.977 -2.774 1.00 0.00 C ATOM 1391 O ALA A 90 -11.269 5.807 -2.797 1.00 0.00 O ATOM 1392 CB ALA A 90 -9.517 5.542 -0.514 1.00 0.00 C ATOM 0 H ALA A 90 -8.168 7.049 -1.836 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.543 4.272 -1.944 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.150 4.751 -0.112 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.624 5.640 0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.066 6.484 -0.510 1.00 0.00 H new ATOM 1398 N ASN A 91 -10.381 3.870 -3.482 1.00 0.00 N ATOM 1399 CA ASN A 91 -11.560 3.477 -4.219 1.00 0.00 C ATOM 1400 C ASN A 91 -12.085 2.161 -3.662 1.00 0.00 C ATOM 1401 O ASN A 91 -11.677 1.089 -4.108 1.00 0.00 O ATOM 1402 CB ASN A 91 -11.240 3.362 -5.706 1.00 0.00 C ATOM 1403 CG ASN A 91 -12.221 4.133 -6.569 1.00 0.00 C ATOM 1404 OD1 ASN A 91 -12.472 3.765 -7.715 1.00 0.00 O ATOM 1405 ND2 ASN A 91 -12.780 5.207 -6.031 1.00 0.00 N ATOM 0 H ASN A 91 -9.595 3.225 -3.563 1.00 0.00 H new ATOM 0 HA ASN A 91 -12.334 4.236 -4.107 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.231 3.732 -5.888 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.251 2.312 -5.997 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.445 5.761 -6.571 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -12.546 5.480 -5.077 1.00 0.00 H new ATOM 1412 N PRO A 92 -12.988 2.252 -2.665 1.00 0.00 N ATOM 1413 CA PRO A 92 -13.517 1.110 -1.912 1.00 0.00 C ATOM 1414 C PRO A 92 -13.656 -0.185 -2.712 1.00 0.00 C ATOM 1415 O PRO A 92 -12.998 -1.183 -2.414 1.00 0.00 O ATOM 1416 CB PRO A 92 -14.888 1.618 -1.484 1.00 0.00 C ATOM 1417 CG PRO A 92 -14.708 3.086 -1.281 1.00 0.00 C ATOM 1418 CD PRO A 92 -13.561 3.519 -2.166 1.00 0.00 C ATOM 0 HA PRO A 92 -12.843 0.827 -1.104 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.640 1.414 -2.246 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -15.222 1.131 -0.568 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -15.619 3.625 -1.540 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -14.493 3.307 -0.236 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -13.907 4.149 -2.985 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -12.824 4.097 -1.608 1.00 0.00 H new ATOM 1426 N ALA A 93 -14.499 -0.169 -3.728 1.00 0.00 N ATOM 1427 CA ALA A 93 -14.793 -1.380 -4.476 1.00 0.00 C ATOM 1428 C ALA A 93 -13.764 -1.640 -5.561 1.00 0.00 C ATOM 1429 O ALA A 93 -13.269 -2.758 -5.701 1.00 0.00 O ATOM 1430 CB ALA A 93 -16.188 -1.307 -5.073 1.00 0.00 C ATOM 0 H ALA A 93 -14.990 0.663 -4.054 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.748 -2.216 -3.778 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.394 -2.221 -5.630 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -16.921 -1.197 -4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.252 -0.451 -5.744 1.00 0.00 H new ATOM 1436 N ALA A 94 -13.429 -0.603 -6.312 1.00 0.00 N ATOM 1437 CA ALA A 94 -12.550 -0.753 -7.464 1.00 0.00 C ATOM 1438 C ALA A 94 -11.151 -1.188 -7.059 1.00 0.00 C ATOM 1439 O ALA A 94 -10.473 -1.887 -7.811 1.00 0.00 O ATOM 1440 CB ALA A 94 -12.486 0.541 -8.257 1.00 0.00 C ATOM 0 H ALA A 94 -13.751 0.351 -6.146 1.00 0.00 H new ATOM 0 HA ALA A 94 -12.972 -1.538 -8.092 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.825 0.410 -9.114 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.485 0.804 -8.606 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -12.102 1.339 -7.621 1.00 0.00 H new ATOM 1446 N ILE A 95 -10.708 -0.792 -5.877 1.00 0.00 N ATOM 1447 CA ILE A 95 -9.364 -1.142 -5.454 1.00 0.00 C ATOM 1448 C ILE A 95 -9.364 -2.498 -4.770 1.00 0.00 C ATOM 1449 O ILE A 95 -8.418 -3.264 -4.908 1.00 0.00 O ATOM 1450 CB ILE A 95 -8.715 -0.078 -4.546 1.00 0.00 C ATOM 1451 CG1 ILE A 95 -8.702 1.285 -5.237 1.00 0.00 C ATOM 1452 CG2 ILE A 95 -7.298 -0.484 -4.185 1.00 0.00 C ATOM 1453 CD1 ILE A 95 -8.147 1.255 -6.644 1.00 0.00 C ATOM 0 H ILE A 95 -11.245 -0.241 -5.208 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.755 -1.188 -6.357 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.307 -0.003 -3.634 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.719 1.676 -5.267 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.111 1.979 -4.639 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.854 0.277 -3.544 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.316 -1.438 -3.657 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.705 -0.584 -5.094 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.171 2.260 -7.066 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.118 0.896 -6.622 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -8.751 0.588 -7.259 1.00 0.00 H new ATOM 1465 N LYS A 96 -10.436 -2.812 -4.057 1.00 0.00 N ATOM 1466 CA LYS A 96 -10.612 -4.156 -3.527 1.00 0.00 C ATOM 1467 C LYS A 96 -10.638 -5.150 -4.684 1.00 0.00 C ATOM 1468 O LYS A 96 -10.069 -6.241 -4.611 1.00 0.00 O ATOM 1469 CB LYS A 96 -11.886 -4.236 -2.671 1.00 0.00 C ATOM 1470 CG LYS A 96 -12.609 -5.569 -2.718 1.00 0.00 C ATOM 1471 CD LYS A 96 -13.840 -5.548 -1.831 1.00 0.00 C ATOM 1472 CE LYS A 96 -14.595 -6.863 -1.890 1.00 0.00 C ATOM 1473 NZ LYS A 96 -15.845 -6.818 -1.088 1.00 0.00 N ATOM 0 H LYS A 96 -11.190 -2.162 -3.834 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.776 -4.409 -2.875 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.624 -4.019 -1.636 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.574 -3.455 -2.996 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.899 -5.794 -3.744 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.937 -6.364 -2.395 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.544 -5.344 -0.802 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.498 -4.736 -2.140 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.837 -7.097 -2.927 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.956 -7.666 -1.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.735 -7.410 -0.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -16.039 -5.837 -0.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -16.637 -7.176 -1.659 1.00 0.00 H new ATOM 1487 N GLN A 97 -11.262 -4.733 -5.777 1.00 0.00 N ATOM 1488 CA GLN A 97 -11.259 -5.508 -7.003 1.00 0.00 C ATOM 1489 C GLN A 97 -9.856 -5.551 -7.604 1.00 0.00 C ATOM 1490 O GLN A 97 -9.478 -6.532 -8.242 1.00 0.00 O ATOM 1491 CB GLN A 97 -12.260 -4.910 -8.001 1.00 0.00 C ATOM 1492 CG GLN A 97 -12.345 -5.658 -9.322 1.00 0.00 C ATOM 1493 CD GLN A 97 -12.800 -7.094 -9.150 1.00 0.00 C ATOM 1494 OE1 GLN A 97 -13.995 -7.383 -9.166 1.00 0.00 O ATOM 1495 NE2 GLN A 97 -11.852 -8.002 -8.990 1.00 0.00 N ATOM 0 H GLN A 97 -11.779 -3.856 -5.836 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.561 -6.531 -6.776 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -13.248 -4.893 -7.541 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.983 -3.875 -8.200 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.036 -5.139 -9.986 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.368 -5.646 -9.806 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -10.872 -7.720 -8.983 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.101 -8.984 -8.874 1.00 0.00 H new ATOM 1504 N ALA A 98 -9.081 -4.497 -7.376 1.00 0.00 N ATOM 1505 CA ALA A 98 -7.712 -4.440 -7.863 1.00 0.00 C ATOM 1506 C ALA A 98 -6.849 -5.461 -7.141 1.00 0.00 C ATOM 1507 O ALA A 98 -6.255 -6.328 -7.768 1.00 0.00 O ATOM 1508 CB ALA A 98 -7.137 -3.042 -7.705 1.00 0.00 C ATOM 0 H ALA A 98 -9.379 -3.671 -6.857 1.00 0.00 H new ATOM 0 HA ALA A 98 -7.718 -4.683 -8.926 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.112 -3.026 -8.076 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.740 -2.334 -8.273 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.145 -2.762 -6.652 1.00 0.00 H new ATOM 1514 N ILE A 99 -6.815 -5.373 -5.819 1.00 0.00 N ATOM 1515 CA ILE A 99 -6.008 -6.273 -5.000 1.00 0.00 C ATOM 1516 C ILE A 99 -6.289 -7.725 -5.378 1.00 0.00 C ATOM 1517 O ILE A 99 -5.373 -8.535 -5.497 1.00 0.00 O ATOM 1518 CB ILE A 99 -6.289 -6.116 -3.487 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -6.557 -4.663 -3.091 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -5.114 -6.663 -2.699 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -5.576 -3.680 -3.659 1.00 0.00 C ATOM 0 H ILE A 99 -7.341 -4.682 -5.285 1.00 0.00 H new ATOM 0 HA ILE A 99 -4.968 -6.009 -5.192 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.193 -6.680 -3.256 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.560 -4.388 -3.417 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -6.543 -4.586 -2.004 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.309 -6.554 -1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.976 -7.718 -2.937 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.211 -6.111 -2.961 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.837 -2.674 -3.330 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.572 -3.926 -3.312 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.605 -3.725 -4.748 1.00 0.00 H new ATOM 1533 N ALA A 100 -7.567 -8.029 -5.592 1.00 0.00 N ATOM 1534 CA ALA A 100 -7.987 -9.380 -5.947 1.00 0.00 C ATOM 1535 C ALA A 100 -7.542 -9.746 -7.362 1.00 0.00 C ATOM 1536 O ALA A 100 -7.232 -10.902 -7.647 1.00 0.00 O ATOM 1537 CB ALA A 100 -9.496 -9.508 -5.819 1.00 0.00 C ATOM 0 H ALA A 100 -8.330 -7.356 -5.525 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.510 -10.075 -5.256 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.799 -10.520 -6.086 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.793 -9.300 -4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.980 -8.796 -6.488 1.00 0.00 H new ATOM 1543 N ALA A 101 -7.502 -8.747 -8.237 1.00 0.00 N ATOM 1544 CA ALA A 101 -7.125 -8.947 -9.631 1.00 0.00 C ATOM 1545 C ALA A 101 -5.638 -9.246 -9.763 1.00 0.00 C ATOM 1546 O ALA A 101 -5.232 -10.133 -10.516 1.00 0.00 O ATOM 1547 CB ALA A 101 -7.476 -7.715 -10.452 1.00 0.00 C ATOM 0 H ALA A 101 -7.729 -7.781 -8.001 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.682 -9.805 -10.008 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.190 -7.877 -11.491 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.549 -7.534 -10.395 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.941 -6.851 -10.058 1.00 0.00 H new ATOM 1553 N ASN A 102 -4.835 -8.496 -9.025 1.00 0.00 N ATOM 1554 CA ASN A 102 -3.384 -8.621 -9.095 1.00 0.00 C ATOM 1555 C ASN A 102 -2.901 -9.824 -8.295 1.00 0.00 C ATOM 1556 O ASN A 102 -1.802 -10.328 -8.520 1.00 0.00 O ATOM 1557 CB ASN A 102 -2.718 -7.346 -8.582 1.00 0.00 C ATOM 1558 CG ASN A 102 -3.148 -6.111 -9.352 1.00 0.00 C ATOM 1559 OD1 ASN A 102 -2.598 -5.797 -10.404 1.00 0.00 O ATOM 1560 ND2 ASN A 102 -4.123 -5.397 -8.811 1.00 0.00 N ATOM 0 H ASN A 102 -5.164 -7.790 -8.367 1.00 0.00 H new ATOM 0 HA ASN A 102 -3.106 -8.771 -10.138 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -2.959 -7.214 -7.527 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.635 -7.453 -8.650 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -4.447 -4.546 -9.270 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -4.550 -5.698 -7.935 1.00 0.00 H new ATOM 1567 N ALA A 103 -3.725 -10.277 -7.358 1.00 0.00 N ATOM 1568 CA ALA A 103 -3.404 -11.453 -6.559 1.00 0.00 C ATOM 1569 C ALA A 103 -3.404 -12.710 -7.422 1.00 0.00 C ATOM 1570 O ALA A 103 -2.309 -13.195 -7.770 1.00 0.00 O ATOM 1571 CB ALA A 103 -4.384 -11.601 -5.405 1.00 0.00 C ATOM 1572 OXT ALA A 103 -4.499 -13.200 -7.767 1.00 0.00 O ATOM 0 H ALA A 103 -4.622 -9.847 -7.133 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.403 -11.320 -6.147 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.127 -12.485 -4.821 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -4.333 -10.718 -4.769 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.395 -11.707 -5.798 1.00 0.00 H new