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 66 LYS NZ :NH3+ -109:sc= 0.359 (180deg=-0.437) USER MOD Set 1.2: A 67 ASN : amide:sc= -6.63! C(o=-6.3!,f=-3.7!) USER MOD Set 2.1: A 17 GLN : amide:sc= -0.652 K(o=-0.65,f=0) USER MOD Set 2.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 7 THR OG1 : rot -51:sc= 1.1 USER MOD Set 3.2: A 9 SER OG : rot 180:sc= 0.00114 USER MOD Single : A 3 THR OG1 : rot 89:sc= 0.856 USER MOD Single : A 4 GLN : amide:sc= -2.07 K(o=-2.1,f=-0.39) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -179:sc= 1.05 (180deg=1.04) USER MOD Single : A 26 TYR OH : rot 50:sc= -1.46! USER MOD Single : A 28 THR OG1 : rot -81:sc= 1.17 USER MOD Single : A 30 CYS SG : rot -99:sc= -3.12! USER MOD Single : A 33 CYS SG : rot -83:sc= 1.3 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -167:sc= -1.67 (180deg=-1.99) USER MOD Single : A 39 MET CE :methyl 171:sc= -7.13! (180deg=-8.32!) USER MOD Single : A 42 LYS NZ :NH3+ -166:sc= -0.0145 (180deg=-0.167) USER MOD Single : A 44 SER OG : rot -110:sc= -0.0652 USER MOD Single : A 46 GLN : amide:sc= -3.8! C(o=-3.8!,f=-3.5!) USER MOD Single : A 47 TYR OH : rot -117:sc= -3.42! USER MOD Single : A 49 GLN : amide:sc= -1.27! K(o=-1.3!,f=-0.26) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.938 K(o=-0.94,f=-0.059) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 162:sc= -1.14 (180deg=-2.36) USER MOD Single : A 74 THR OG1 : rot 88:sc= 0.157 USER MOD Single : A 79 LYS NZ :NH3+ -149:sc= -0.814 (180deg=-1.68) USER MOD Single : A 80 ASN : amide:sc= -1.95 K(o=-1.9,f=-4.6!) USER MOD Single : A 82 LYS NZ :NH3+ 154:sc= -1.42 (180deg=-2.68!) USER MOD Single : A 86 LYS NZ :NH3+ -129:sc= 0.394 (180deg=-1.62) USER MOD Single : A 91 ASN : amide:sc= -2.02! K(o=-2!,f=-1) USER MOD Single : A 96 LYS NZ :NH3+ -130:sc=-0.00137 (180deg=-1.17) USER MOD Single : A 97 GLN : amide:sc= -1.5! K(o=-1.5!,f=-0.12) USER MOD Single : A 102 ASN : amide:sc= -1.9! X(o=-1.9!,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -3.355 -3.792 9.482 1.00 0.00 N ATOM 21 CA VAL A 2 -2.416 -3.712 8.384 1.00 0.00 C ATOM 22 C VAL A 2 -1.040 -3.323 8.921 1.00 0.00 C ATOM 23 O VAL A 2 -0.896 -2.312 9.608 1.00 0.00 O ATOM 24 CB VAL A 2 -2.927 -2.711 7.329 1.00 0.00 C ATOM 25 CG1 VAL A 2 -1.844 -2.373 6.323 1.00 0.00 C ATOM 26 CG2 VAL A 2 -4.146 -3.283 6.627 1.00 0.00 C ATOM 0 HA VAL A 2 -2.325 -4.683 7.897 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.206 -1.788 7.836 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.235 -1.665 5.592 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.993 -1.929 6.840 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.525 -3.282 5.813 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.504 -2.572 5.882 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.878 -4.219 6.136 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.933 -3.469 7.358 1.00 0.00 H new ATOM 36 N THR A 3 -0.050 -4.151 8.607 1.00 0.00 N ATOM 37 CA THR A 3 1.277 -4.085 9.223 1.00 0.00 C ATOM 38 C THR A 3 1.968 -2.743 8.977 1.00 0.00 C ATOM 39 O THR A 3 1.837 -2.149 7.913 1.00 0.00 O ATOM 40 CB THR A 3 2.162 -5.223 8.686 1.00 0.00 C ATOM 41 OG1 THR A 3 1.361 -6.389 8.445 1.00 0.00 O ATOM 42 CG2 THR A 3 3.271 -5.568 9.670 1.00 0.00 C ATOM 0 H THR A 3 -0.143 -4.893 7.914 1.00 0.00 H new ATOM 0 HA THR A 3 1.137 -4.192 10.299 1.00 0.00 H new ATOM 0 HB THR A 3 2.618 -4.886 7.755 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.001 -6.356 7.534 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.880 -6.375 9.263 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.896 -4.690 9.836 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.832 -5.886 10.616 1.00 0.00 H new ATOM 50 N GLN A 4 2.716 -2.286 9.968 1.00 0.00 N ATOM 51 CA GLN A 4 3.347 -0.973 9.927 1.00 0.00 C ATOM 52 C GLN A 4 4.835 -1.083 9.573 1.00 0.00 C ATOM 53 O GLN A 4 5.612 -1.690 10.310 1.00 0.00 O ATOM 54 CB GLN A 4 3.171 -0.303 11.291 1.00 0.00 C ATOM 55 CG GLN A 4 3.519 1.174 11.307 1.00 0.00 C ATOM 56 CD GLN A 4 2.766 1.942 10.247 1.00 0.00 C ATOM 57 OE1 GLN A 4 1.650 2.406 10.468 1.00 0.00 O ATOM 58 NE2 GLN A 4 3.379 2.092 9.090 1.00 0.00 N ATOM 0 H GLN A 4 2.904 -2.811 10.822 1.00 0.00 H new ATOM 0 HA GLN A 4 2.872 -0.371 9.152 1.00 0.00 H new ATOM 0 HB2 GLN A 4 2.137 -0.425 11.613 1.00 0.00 H new ATOM 0 HB3 GLN A 4 3.795 -0.820 12.021 1.00 0.00 H new ATOM 0 HG2 GLN A 4 3.290 1.590 12.288 1.00 0.00 H new ATOM 0 HG3 GLN A 4 4.591 1.296 11.151 1.00 0.00 H new ATOM 0 HE21 GLN A 4 4.306 1.690 8.948 1.00 0.00 H new ATOM 0 HE22 GLN A 4 2.927 2.610 8.337 1.00 0.00 H new ATOM 67 N PHE A 5 5.215 -0.494 8.438 1.00 0.00 N ATOM 68 CA PHE A 5 6.616 -0.469 7.994 1.00 0.00 C ATOM 69 C PHE A 5 7.465 0.454 8.857 1.00 0.00 C ATOM 70 O PHE A 5 6.944 1.267 9.626 1.00 0.00 O ATOM 71 CB PHE A 5 6.730 0.034 6.556 1.00 0.00 C ATOM 72 CG PHE A 5 6.415 -0.968 5.481 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.653 -2.321 5.663 1.00 0.00 C ATOM 74 CD2 PHE A 5 5.899 -0.541 4.267 1.00 0.00 C ATOM 75 CE1 PHE A 5 6.378 -3.225 4.658 1.00 0.00 C ATOM 76 CE2 PHE A 5 5.627 -1.442 3.259 1.00 0.00 C ATOM 77 CZ PHE A 5 5.866 -2.784 3.454 1.00 0.00 C ATOM 0 H PHE A 5 4.570 -0.024 7.803 1.00 0.00 H new ATOM 0 HA PHE A 5 6.974 -1.495 8.075 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.063 0.887 6.437 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.745 0.399 6.399 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.058 -2.671 6.601 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.708 0.510 4.109 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.563 -4.278 4.813 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.227 -1.095 2.318 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.653 -3.491 2.666 1.00 0.00 H new ATOM 87 N LYS A 6 8.783 0.342 8.693 1.00 0.00 N ATOM 88 CA LYS A 6 9.715 1.211 9.398 1.00 0.00 C ATOM 89 C LYS A 6 10.653 1.913 8.419 1.00 0.00 C ATOM 90 O LYS A 6 10.941 3.096 8.571 1.00 0.00 O ATOM 91 CB LYS A 6 10.545 0.402 10.399 1.00 0.00 C ATOM 92 CG LYS A 6 9.719 -0.528 11.269 1.00 0.00 C ATOM 93 CD LYS A 6 8.838 0.232 12.254 1.00 0.00 C ATOM 94 CE LYS A 6 9.660 0.918 13.336 1.00 0.00 C ATOM 95 NZ LYS A 6 8.802 1.583 14.352 1.00 0.00 N ATOM 0 H LYS A 6 9.225 -0.342 8.079 1.00 0.00 H new ATOM 0 HA LYS A 6 9.132 1.962 9.931 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.283 -0.186 9.854 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.096 1.090 11.040 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.093 -1.155 10.634 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.384 -1.194 11.819 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.251 0.977 11.717 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.132 -0.457 12.717 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.299 0.183 13.826 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.318 1.657 12.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.402 2.037 15.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.210 2.303 13.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.192 0.875 14.809 1.00 0.00 H new ATOM 109 N THR A 7 11.129 1.185 7.414 1.00 0.00 N ATOM 110 CA THR A 7 12.015 1.773 6.405 1.00 0.00 C ATOM 111 C THR A 7 11.661 1.290 5.003 1.00 0.00 C ATOM 112 O THR A 7 10.731 0.498 4.825 1.00 0.00 O ATOM 113 CB THR A 7 13.508 1.451 6.661 1.00 0.00 C ATOM 114 OG1 THR A 7 13.733 0.043 6.548 1.00 0.00 O ATOM 115 CG2 THR A 7 13.962 1.932 8.032 1.00 0.00 C ATOM 0 H THR A 7 10.921 0.196 7.273 1.00 0.00 H new ATOM 0 HA THR A 7 11.867 2.850 6.482 1.00 0.00 H new ATOM 0 HB THR A 7 14.092 1.980 5.907 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.088 -0.437 7.108 1.00 0.00 H new ATOM 0 HG21 THR A 7 15.015 1.687 8.173 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.828 3.011 8.102 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.369 1.442 8.804 1.00 0.00 H new ATOM 123 N ALA A 8 12.408 1.765 4.010 1.00 0.00 N ATOM 124 CA ALA A 8 12.230 1.316 2.637 1.00 0.00 C ATOM 125 C ALA A 8 12.651 -0.138 2.502 1.00 0.00 C ATOM 126 O ALA A 8 12.178 -0.856 1.619 1.00 0.00 O ATOM 127 CB ALA A 8 13.025 2.182 1.677 1.00 0.00 C ATOM 0 H ALA A 8 13.143 2.462 4.133 1.00 0.00 H new ATOM 0 HA ALA A 8 11.174 1.405 2.383 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.876 1.827 0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.687 3.215 1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.084 2.127 1.929 1.00 0.00 H new ATOM 133 N SER A 9 13.541 -0.567 3.388 1.00 0.00 N ATOM 134 CA SER A 9 13.973 -1.950 3.429 1.00 0.00 C ATOM 135 C SER A 9 12.774 -2.843 3.717 1.00 0.00 C ATOM 136 O SER A 9 12.562 -3.853 3.044 1.00 0.00 O ATOM 137 CB SER A 9 15.045 -2.123 4.500 1.00 0.00 C ATOM 138 OG SER A 9 16.043 -1.122 4.376 1.00 0.00 O ATOM 0 H SER A 9 13.977 0.031 4.090 1.00 0.00 H new ATOM 0 HA SER A 9 14.400 -2.233 2.467 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.590 -2.070 5.489 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.499 -3.110 4.411 1.00 0.00 H new ATOM 0 HG SER A 9 16.721 -1.248 5.072 1.00 0.00 H new ATOM 144 N GLU A 10 11.985 -2.449 4.714 1.00 0.00 N ATOM 145 CA GLU A 10 10.725 -3.098 5.000 1.00 0.00 C ATOM 146 C GLU A 10 9.822 -3.128 3.772 1.00 0.00 C ATOM 147 O GLU A 10 9.198 -4.151 3.486 1.00 0.00 O ATOM 148 CB GLU A 10 10.031 -2.371 6.142 1.00 0.00 C ATOM 149 CG GLU A 10 10.527 -2.779 7.512 1.00 0.00 C ATOM 150 CD GLU A 10 11.990 -2.487 7.747 1.00 0.00 C ATOM 151 OE1 GLU A 10 12.309 -1.343 8.113 1.00 0.00 O ATOM 152 OE2 GLU A 10 12.824 -3.401 7.582 1.00 0.00 O ATOM 0 H GLU A 10 12.207 -1.674 5.339 1.00 0.00 H new ATOM 0 HA GLU A 10 10.926 -4.130 5.287 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.174 -1.298 6.018 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.959 -2.559 6.082 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.938 -2.262 8.269 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.354 -3.847 7.647 1.00 0.00 H new ATOM 159 N PHE A 11 9.764 -2.010 3.039 1.00 0.00 N ATOM 160 CA PHE A 11 8.926 -1.935 1.844 1.00 0.00 C ATOM 161 C PHE A 11 9.325 -3.031 0.863 1.00 0.00 C ATOM 162 O PHE A 11 8.523 -3.902 0.533 1.00 0.00 O ATOM 163 CB PHE A 11 9.027 -0.541 1.186 1.00 0.00 C ATOM 164 CG PHE A 11 8.014 -0.292 0.091 1.00 0.00 C ATOM 165 CD1 PHE A 11 8.152 -0.890 -1.151 1.00 0.00 C ATOM 166 CD2 PHE A 11 6.931 0.553 0.300 1.00 0.00 C ATOM 167 CE1 PHE A 11 7.236 -0.656 -2.156 1.00 0.00 C ATOM 168 CE2 PHE A 11 6.007 0.791 -0.711 1.00 0.00 C ATOM 169 CZ PHE A 11 6.165 0.185 -1.936 1.00 0.00 C ATOM 0 H PHE A 11 10.281 -1.157 3.251 1.00 0.00 H new ATOM 0 HA PHE A 11 7.887 -2.087 2.135 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.906 0.221 1.956 1.00 0.00 H new ATOM 0 HB3 PHE A 11 10.028 -0.420 0.772 1.00 0.00 H new ATOM 0 HD1 PHE A 11 8.988 -1.548 -1.335 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.805 1.031 1.260 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.358 -1.133 -3.117 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.169 1.449 -0.536 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.451 0.368 -2.725 1.00 0.00 H new ATOM 179 N ASP A 12 10.584 -3.007 0.451 1.00 0.00 N ATOM 180 CA ASP A 12 11.114 -3.978 -0.511 1.00 0.00 C ATOM 181 C ASP A 12 10.978 -5.412 -0.002 1.00 0.00 C ATOM 182 O ASP A 12 10.715 -6.332 -0.778 1.00 0.00 O ATOM 183 CB ASP A 12 12.585 -3.676 -0.805 1.00 0.00 C ATOM 184 CG ASP A 12 13.247 -4.757 -1.641 1.00 0.00 C ATOM 185 OD1 ASP A 12 13.134 -4.709 -2.882 1.00 0.00 O ATOM 186 OD2 ASP A 12 13.882 -5.661 -1.060 1.00 0.00 O ATOM 0 H ASP A 12 11.268 -2.320 0.768 1.00 0.00 H new ATOM 0 HA ASP A 12 10.528 -3.887 -1.426 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.659 -2.722 -1.327 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.125 -3.568 0.136 1.00 0.00 H new ATOM 191 N SER A 13 11.153 -5.597 1.300 1.00 0.00 N ATOM 192 CA SER A 13 11.082 -6.922 1.901 1.00 0.00 C ATOM 193 C SER A 13 9.683 -7.516 1.744 1.00 0.00 C ATOM 194 O SER A 13 9.535 -8.706 1.449 1.00 0.00 O ATOM 195 CB SER A 13 11.474 -6.861 3.379 1.00 0.00 C ATOM 196 OG SER A 13 11.615 -8.161 3.927 1.00 0.00 O ATOM 0 H SER A 13 11.345 -4.844 1.961 1.00 0.00 H new ATOM 0 HA SER A 13 11.787 -7.570 1.381 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.411 -6.315 3.487 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.717 -6.309 3.936 1.00 0.00 H new ATOM 0 HG SER A 13 11.867 -8.092 4.871 1.00 0.00 H new ATOM 202 N ALA A 14 8.659 -6.690 1.940 1.00 0.00 N ATOM 203 CA ALA A 14 7.288 -7.124 1.734 1.00 0.00 C ATOM 204 C ALA A 14 7.038 -7.376 0.256 1.00 0.00 C ATOM 205 O ALA A 14 6.306 -8.292 -0.116 1.00 0.00 O ATOM 206 CB ALA A 14 6.303 -6.096 2.268 1.00 0.00 C ATOM 0 H ALA A 14 8.756 -5.720 2.240 1.00 0.00 H new ATOM 0 HA ALA A 14 7.137 -8.053 2.284 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.285 -6.447 2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.467 -5.955 3.336 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.450 -5.148 1.750 1.00 0.00 H new ATOM 212 N ILE A 15 7.666 -6.558 -0.579 1.00 0.00 N ATOM 213 CA ILE A 15 7.540 -6.680 -2.024 1.00 0.00 C ATOM 214 C ILE A 15 8.074 -8.020 -2.508 1.00 0.00 C ATOM 215 O ILE A 15 7.500 -8.650 -3.396 1.00 0.00 O ATOM 216 CB ILE A 15 8.315 -5.574 -2.761 1.00 0.00 C ATOM 217 CG1 ILE A 15 7.899 -4.185 -2.305 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.118 -5.688 -4.253 1.00 0.00 C ATOM 219 CD1 ILE A 15 6.408 -4.009 -2.118 1.00 0.00 C ATOM 0 H ILE A 15 8.273 -5.796 -0.276 1.00 0.00 H new ATOM 0 HA ILE A 15 6.476 -6.592 -2.245 1.00 0.00 H new ATOM 0 HB ILE A 15 9.368 -5.713 -2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.400 -3.960 -1.364 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.250 -3.456 -3.035 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.674 -4.897 -4.755 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.479 -6.658 -4.595 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.058 -5.592 -4.488 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.200 -2.990 -1.792 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.898 -4.199 -3.062 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.050 -4.711 -1.365 1.00 0.00 H new ATOM 231 N ALA A 16 9.172 -8.450 -1.902 1.00 0.00 N ATOM 232 CA ALA A 16 9.896 -9.636 -2.345 1.00 0.00 C ATOM 233 C ALA A 16 9.163 -10.923 -2.006 1.00 0.00 C ATOM 234 O ALA A 16 9.644 -12.019 -2.299 1.00 0.00 O ATOM 235 CB ALA A 16 11.288 -9.644 -1.737 1.00 0.00 C ATOM 0 H ALA A 16 9.586 -7.989 -1.092 1.00 0.00 H new ATOM 0 HA ALA A 16 9.969 -9.590 -3.432 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.826 -10.532 -2.070 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.829 -8.752 -2.054 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.210 -9.654 -0.650 1.00 0.00 H new ATOM 241 N GLN A 17 8.005 -10.793 -1.398 1.00 0.00 N ATOM 242 CA GLN A 17 7.182 -11.930 -1.083 1.00 0.00 C ATOM 243 C GLN A 17 6.498 -12.440 -2.345 1.00 0.00 C ATOM 244 O GLN A 17 6.110 -11.653 -3.210 1.00 0.00 O ATOM 245 CB GLN A 17 6.152 -11.529 -0.038 1.00 0.00 C ATOM 246 CG GLN A 17 6.758 -11.216 1.322 1.00 0.00 C ATOM 247 CD GLN A 17 5.721 -10.836 2.367 1.00 0.00 C ATOM 248 OE1 GLN A 17 5.884 -11.123 3.554 1.00 0.00 O ATOM 249 NE2 GLN A 17 4.668 -10.153 1.946 1.00 0.00 N ATOM 0 H GLN A 17 7.612 -9.897 -1.110 1.00 0.00 H new ATOM 0 HA GLN A 17 7.800 -12.733 -0.681 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.606 -10.655 -0.394 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.426 -12.334 0.073 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.316 -12.084 1.672 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.472 -10.400 1.215 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.566 -9.933 0.955 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.959 -9.847 2.612 1.00 0.00 H new ATOM 258 N ASP A 18 6.351 -13.754 -2.451 1.00 0.00 N ATOM 259 CA ASP A 18 5.712 -14.361 -3.619 1.00 0.00 C ATOM 260 C ASP A 18 4.193 -14.269 -3.520 1.00 0.00 C ATOM 261 O ASP A 18 3.477 -15.209 -3.856 1.00 0.00 O ATOM 262 CB ASP A 18 6.137 -15.823 -3.781 1.00 0.00 C ATOM 263 CG ASP A 18 7.497 -15.975 -4.432 1.00 0.00 C ATOM 264 OD1 ASP A 18 7.579 -15.883 -5.676 1.00 0.00 O ATOM 265 OD2 ASP A 18 8.490 -16.199 -3.707 1.00 0.00 O ATOM 0 H ASP A 18 6.664 -14.422 -1.746 1.00 0.00 H new ATOM 0 HA ASP A 18 6.039 -13.805 -4.497 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.153 -16.302 -2.802 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.393 -16.348 -4.380 1.00 0.00 H new ATOM 270 N LYS A 19 3.714 -13.129 -3.054 1.00 0.00 N ATOM 271 CA LYS A 19 2.289 -12.890 -2.897 1.00 0.00 C ATOM 272 C LYS A 19 1.975 -11.446 -3.266 1.00 0.00 C ATOM 273 O LYS A 19 2.886 -10.633 -3.417 1.00 0.00 O ATOM 274 CB LYS A 19 1.875 -13.169 -1.450 1.00 0.00 C ATOM 275 CG LYS A 19 2.586 -12.279 -0.443 1.00 0.00 C ATOM 276 CD LYS A 19 2.395 -12.761 0.986 1.00 0.00 C ATOM 277 CE LYS A 19 0.937 -12.726 1.411 1.00 0.00 C ATOM 278 NZ LYS A 19 0.786 -13.019 2.860 1.00 0.00 N ATOM 0 H LYS A 19 4.301 -12.343 -2.774 1.00 0.00 H new ATOM 0 HA LYS A 19 1.731 -13.556 -3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.798 -13.029 -1.353 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.083 -14.213 -1.214 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.651 -12.249 -0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.211 -11.259 -0.534 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.775 -13.778 1.079 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.984 -12.138 1.660 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.516 -11.745 1.191 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.370 -13.454 0.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.222 -13.004 3.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.181 -13.958 3.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.293 -12.300 3.414 1.00 0.00 H new ATOM 292 N LEU A 20 0.698 -11.135 -3.424 1.00 0.00 N ATOM 293 CA LEU A 20 0.284 -9.770 -3.713 1.00 0.00 C ATOM 294 C LEU A 20 0.504 -8.901 -2.480 1.00 0.00 C ATOM 295 O LEU A 20 0.038 -9.225 -1.386 1.00 0.00 O ATOM 296 CB LEU A 20 -1.192 -9.742 -4.149 1.00 0.00 C ATOM 297 CG LEU A 20 -1.696 -8.443 -4.805 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.801 -7.302 -3.807 1.00 0.00 C ATOM 299 CD2 LEU A 20 -0.794 -8.051 -5.957 1.00 0.00 C ATOM 0 H LEU A 20 -0.067 -11.806 -3.357 1.00 0.00 H new ATOM 0 HA LEU A 20 0.884 -9.374 -4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.356 -10.562 -4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.809 -9.942 -3.273 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.699 -8.638 -5.184 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.160 -6.407 -4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.498 -7.575 -3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.820 -7.105 -3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.163 -7.131 -6.411 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.219 -7.893 -5.588 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.789 -8.847 -6.702 1.00 0.00 H new ATOM 311 N VAL A 21 1.222 -7.808 -2.663 1.00 0.00 N ATOM 312 CA VAL A 21 1.525 -6.901 -1.573 1.00 0.00 C ATOM 313 C VAL A 21 0.695 -5.632 -1.691 1.00 0.00 C ATOM 314 O VAL A 21 0.774 -4.927 -2.698 1.00 0.00 O ATOM 315 CB VAL A 21 3.015 -6.509 -1.565 1.00 0.00 C ATOM 316 CG1 VAL A 21 3.455 -6.090 -0.171 1.00 0.00 C ATOM 317 CG2 VAL A 21 3.878 -7.638 -2.107 1.00 0.00 C ATOM 0 H VAL A 21 1.608 -7.526 -3.564 1.00 0.00 H new ATOM 0 HA VAL A 21 1.286 -7.422 -0.646 1.00 0.00 H new ATOM 0 HB VAL A 21 3.146 -5.652 -2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.510 -5.818 -0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.865 -5.234 0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.306 -6.918 0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.925 -7.336 -2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.747 -8.526 -1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.581 -7.863 -3.131 1.00 0.00 H new ATOM 327 N VAL A 22 -0.112 -5.358 -0.679 1.00 0.00 N ATOM 328 CA VAL A 22 -0.872 -4.122 -0.624 1.00 0.00 C ATOM 329 C VAL A 22 -0.160 -3.134 0.275 1.00 0.00 C ATOM 330 O VAL A 22 -0.173 -3.277 1.501 1.00 0.00 O ATOM 331 CB VAL A 22 -2.296 -4.338 -0.085 1.00 0.00 C ATOM 332 CG1 VAL A 22 -3.080 -3.034 -0.103 1.00 0.00 C ATOM 333 CG2 VAL A 22 -3.012 -5.407 -0.884 1.00 0.00 C ATOM 0 H VAL A 22 -0.257 -5.978 0.118 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.948 -3.741 -1.642 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.224 -4.677 0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.085 -3.208 0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.575 -2.297 0.521 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.143 -2.661 -1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.018 -5.545 -0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.073 -5.101 -1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.461 -6.345 -0.812 1.00 0.00 H new ATOM 343 N VAL A 23 0.481 -2.150 -0.321 1.00 0.00 N ATOM 344 CA VAL A 23 1.198 -1.169 0.457 1.00 0.00 C ATOM 345 C VAL A 23 0.416 0.129 0.554 1.00 0.00 C ATOM 346 O VAL A 23 -0.004 0.708 -0.450 1.00 0.00 O ATOM 347 CB VAL A 23 2.601 -0.896 -0.093 1.00 0.00 C ATOM 348 CG1 VAL A 23 3.334 0.040 0.838 1.00 0.00 C ATOM 349 CG2 VAL A 23 3.373 -2.190 -0.255 1.00 0.00 C ATOM 0 H VAL A 23 0.519 -2.011 -1.331 1.00 0.00 H new ATOM 0 HA VAL A 23 1.313 -1.591 1.455 1.00 0.00 H new ATOM 0 HB VAL A 23 2.512 -0.430 -1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.333 0.234 0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.786 0.979 0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.414 -0.417 1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.367 -1.974 -0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.464 -2.683 0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.844 -2.845 -0.948 1.00 0.00 H new ATOM 359 N ALA A 24 0.242 0.560 1.781 1.00 0.00 N ATOM 360 CA ALA A 24 -0.569 1.715 2.115 1.00 0.00 C ATOM 361 C ALA A 24 0.304 2.914 2.478 1.00 0.00 C ATOM 362 O ALA A 24 0.780 3.017 3.610 1.00 0.00 O ATOM 363 CB ALA A 24 -1.432 1.353 3.307 1.00 0.00 C ATOM 0 H ALA A 24 0.667 0.112 2.593 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.179 1.986 1.253 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.053 2.206 3.579 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.070 0.507 3.051 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.795 1.085 4.150 1.00 0.00 H new ATOM 369 N PHE A 25 0.526 3.813 1.536 1.00 0.00 N ATOM 370 CA PHE A 25 1.302 5.012 1.824 1.00 0.00 C ATOM 371 C PHE A 25 0.424 6.242 1.991 1.00 0.00 C ATOM 372 O PHE A 25 -0.358 6.597 1.113 1.00 0.00 O ATOM 373 CB PHE A 25 2.361 5.243 0.754 1.00 0.00 C ATOM 374 CG PHE A 25 3.678 4.658 1.142 1.00 0.00 C ATOM 375 CD1 PHE A 25 3.763 3.336 1.520 1.00 0.00 C ATOM 376 CD2 PHE A 25 4.823 5.432 1.153 1.00 0.00 C ATOM 377 CE1 PHE A 25 4.965 2.786 1.897 1.00 0.00 C ATOM 378 CE2 PHE A 25 6.030 4.888 1.531 1.00 0.00 C ATOM 379 CZ PHE A 25 6.101 3.561 1.903 1.00 0.00 C ATOM 0 H PHE A 25 0.187 3.741 0.577 1.00 0.00 H new ATOM 0 HA PHE A 25 1.803 4.846 2.778 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.030 4.802 -0.186 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.475 6.313 0.581 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.873 2.724 1.520 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.771 6.471 0.863 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.017 1.747 2.188 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.920 5.499 1.536 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.047 3.132 2.198 1.00 0.00 H new ATOM 389 N TYR A 26 0.568 6.885 3.138 1.00 0.00 N ATOM 390 CA TYR A 26 -0.187 8.085 3.457 1.00 0.00 C ATOM 391 C TYR A 26 0.607 8.936 4.437 1.00 0.00 C ATOM 392 O TYR A 26 1.702 8.555 4.843 1.00 0.00 O ATOM 393 CB TYR A 26 -1.554 7.720 4.048 1.00 0.00 C ATOM 394 CG TYR A 26 -1.478 6.847 5.285 1.00 0.00 C ATOM 395 CD1 TYR A 26 -1.447 5.464 5.178 1.00 0.00 C ATOM 396 CD2 TYR A 26 -1.438 7.405 6.557 1.00 0.00 C ATOM 397 CE1 TYR A 26 -1.378 4.662 6.297 1.00 0.00 C ATOM 398 CE2 TYR A 26 -1.369 6.611 7.683 1.00 0.00 C ATOM 399 CZ TYR A 26 -1.339 5.239 7.550 1.00 0.00 C ATOM 400 OH TYR A 26 -1.262 4.444 8.672 1.00 0.00 O ATOM 0 H TYR A 26 1.211 6.590 3.873 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.356 8.654 2.543 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.088 8.637 4.296 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.141 7.205 3.288 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.477 5.007 4.200 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.461 8.479 6.666 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.355 3.587 6.194 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.339 7.062 8.664 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.538 3.793 8.562 1.00 0.00 H new ATOM 410 N ALA A 27 0.064 10.080 4.815 1.00 0.00 N ATOM 411 CA ALA A 27 0.748 10.969 5.739 1.00 0.00 C ATOM 412 C ALA A 27 -0.172 11.381 6.876 1.00 0.00 C ATOM 413 O ALA A 27 -1.333 11.719 6.652 1.00 0.00 O ATOM 414 CB ALA A 27 1.250 12.198 5.008 1.00 0.00 C ATOM 0 H ALA A 27 -0.846 10.415 4.498 1.00 0.00 H new ATOM 0 HA ALA A 27 1.598 10.432 6.161 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.761 12.856 5.711 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.944 11.897 4.223 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.407 12.726 4.563 1.00 0.00 H new ATOM 420 N THR A 28 0.359 11.357 8.088 1.00 0.00 N ATOM 421 CA THR A 28 -0.397 11.717 9.281 1.00 0.00 C ATOM 422 C THR A 28 -0.839 13.180 9.278 1.00 0.00 C ATOM 423 O THR A 28 -1.786 13.548 9.973 1.00 0.00 O ATOM 424 CB THR A 28 0.422 11.439 10.553 1.00 0.00 C ATOM 425 OG1 THR A 28 1.819 11.611 10.277 1.00 0.00 O ATOM 426 CG2 THR A 28 0.171 10.035 11.074 1.00 0.00 C ATOM 0 H THR A 28 1.325 11.088 8.274 1.00 0.00 H new ATOM 0 HA THR A 28 -1.292 11.095 9.273 1.00 0.00 H new ATOM 0 HB THR A 28 0.109 12.147 11.320 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.169 10.804 9.844 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.764 9.869 11.973 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.887 9.918 11.310 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.455 9.308 10.313 1.00 0.00 H new ATOM 434 N TRP A 29 -0.152 14.019 8.507 1.00 0.00 N ATOM 435 CA TRP A 29 -0.540 15.420 8.401 1.00 0.00 C ATOM 436 C TRP A 29 -1.633 15.595 7.353 1.00 0.00 C ATOM 437 O TRP A 29 -2.275 16.641 7.277 1.00 0.00 O ATOM 438 CB TRP A 29 0.665 16.317 8.076 1.00 0.00 C ATOM 439 CG TRP A 29 1.371 15.999 6.785 1.00 0.00 C ATOM 440 CD1 TRP A 29 2.560 15.346 6.647 1.00 0.00 C ATOM 441 CD2 TRP A 29 0.949 16.339 5.455 1.00 0.00 C ATOM 442 NE1 TRP A 29 2.901 15.256 5.321 1.00 0.00 N ATOM 443 CE2 TRP A 29 1.928 15.856 4.570 1.00 0.00 C ATOM 444 CE3 TRP A 29 -0.163 17.001 4.928 1.00 0.00 C ATOM 445 CZ2 TRP A 29 1.829 16.015 3.191 1.00 0.00 C ATOM 446 CZ3 TRP A 29 -0.263 17.156 3.560 1.00 0.00 C ATOM 447 CH2 TRP A 29 0.729 16.664 2.704 1.00 0.00 C ATOM 0 H TRP A 29 0.664 13.757 7.954 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.931 15.728 9.371 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.328 17.353 8.041 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.384 16.243 8.892 1.00 0.00 H new ATOM 0 HD1 TRP A 29 3.149 14.956 7.464 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.744 14.813 4.955 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.932 17.386 5.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.595 15.639 2.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.120 17.665 3.144 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.623 16.800 1.638 1.00 0.00 H new ATOM 458 N CYS A 30 -1.842 14.560 6.552 1.00 0.00 N ATOM 459 CA CYS A 30 -2.837 14.597 5.496 1.00 0.00 C ATOM 460 C CYS A 30 -4.213 14.296 6.076 1.00 0.00 C ATOM 461 O CYS A 30 -4.331 13.556 7.055 1.00 0.00 O ATOM 462 CB CYS A 30 -2.480 13.581 4.406 1.00 0.00 C ATOM 463 SG CYS A 30 -3.620 13.539 3.003 1.00 0.00 S ATOM 0 H CYS A 30 -1.331 13.680 6.616 1.00 0.00 H new ATOM 0 HA CYS A 30 -2.854 15.592 5.050 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.479 13.803 4.036 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.441 12.588 4.854 1.00 0.00 H new ATOM 0 HG CYS A 30 -4.451 12.550 3.149 1.00 0.00 H new ATOM 469 N GLY A 31 -5.241 14.876 5.484 1.00 0.00 N ATOM 470 CA GLY A 31 -6.594 14.655 5.954 1.00 0.00 C ATOM 471 C GLY A 31 -7.141 13.289 5.563 1.00 0.00 C ATOM 472 O GLY A 31 -7.378 12.446 6.431 1.00 0.00 O ATOM 0 H GLY A 31 -5.165 15.500 4.681 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.617 14.753 7.039 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.245 15.431 5.550 1.00 0.00 H new ATOM 476 N PRO A 32 -7.342 13.034 4.256 1.00 0.00 N ATOM 477 CA PRO A 32 -7.948 11.787 3.761 1.00 0.00 C ATOM 478 C PRO A 32 -7.042 10.555 3.883 1.00 0.00 C ATOM 479 O PRO A 32 -7.281 9.540 3.230 1.00 0.00 O ATOM 480 CB PRO A 32 -8.232 12.080 2.279 1.00 0.00 C ATOM 481 CG PRO A 32 -8.039 13.550 2.114 1.00 0.00 C ATOM 482 CD PRO A 32 -7.033 13.948 3.150 1.00 0.00 C ATOM 0 HA PRO A 32 -8.829 11.534 4.352 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.555 11.521 1.633 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.246 11.785 2.009 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.683 13.788 1.112 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.978 14.086 2.254 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.011 13.823 2.793 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.143 14.992 3.443 1.00 0.00 H new ATOM 490 N CYS A 33 -6.017 10.627 4.724 1.00 0.00 N ATOM 491 CA CYS A 33 -5.152 9.473 4.967 1.00 0.00 C ATOM 492 C CYS A 33 -5.942 8.391 5.694 1.00 0.00 C ATOM 493 O CYS A 33 -5.705 7.184 5.535 1.00 0.00 O ATOM 494 CB CYS A 33 -3.936 9.884 5.796 1.00 0.00 C ATOM 495 SG CYS A 33 -4.351 10.669 7.371 1.00 0.00 S ATOM 0 H CYS A 33 -5.763 11.465 5.247 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.801 9.083 4.012 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.327 9.001 5.991 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.325 10.570 5.210 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.590 11.932 7.177 1.00 0.00 H new ATOM 501 N LYS A 34 -6.917 8.845 6.465 1.00 0.00 N ATOM 502 CA LYS A 34 -7.790 7.963 7.211 1.00 0.00 C ATOM 503 C LYS A 34 -8.691 7.164 6.278 1.00 0.00 C ATOM 504 O LYS A 34 -9.413 6.288 6.730 1.00 0.00 O ATOM 505 CB LYS A 34 -8.625 8.757 8.215 1.00 0.00 C ATOM 506 CG LYS A 34 -7.798 9.366 9.334 1.00 0.00 C ATOM 507 CD LYS A 34 -8.650 10.208 10.266 1.00 0.00 C ATOM 508 CE LYS A 34 -7.839 10.705 11.450 1.00 0.00 C ATOM 509 NZ LYS A 34 -8.621 11.626 12.314 1.00 0.00 N ATOM 0 H LYS A 34 -7.123 9.836 6.589 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.166 7.258 7.760 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.154 9.552 7.689 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.382 8.102 8.647 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.313 8.572 9.902 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.006 9.982 8.908 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.060 11.058 9.720 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.495 9.619 10.622 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.501 9.854 12.041 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.947 11.217 11.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.030 11.941 13.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.922 12.452 11.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.459 11.131 12.680 1.00 0.00 H new ATOM 523 N MET A 35 -8.672 7.476 4.983 1.00 0.00 N ATOM 524 CA MET A 35 -9.427 6.689 4.016 1.00 0.00 C ATOM 525 C MET A 35 -8.681 5.381 3.772 1.00 0.00 C ATOM 526 O MET A 35 -9.278 4.306 3.668 1.00 0.00 O ATOM 527 CB MET A 35 -9.586 7.454 2.698 1.00 0.00 C ATOM 528 CG MET A 35 -10.931 7.244 2.006 1.00 0.00 C ATOM 529 SD MET A 35 -11.360 5.504 1.787 1.00 0.00 S ATOM 530 CE MET A 35 -12.737 5.621 0.645 1.00 0.00 C ATOM 0 H MET A 35 -8.150 8.257 4.586 1.00 0.00 H new ATOM 0 HA MET A 35 -10.424 6.488 4.410 1.00 0.00 H new ATOM 0 HB2 MET A 35 -9.453 8.518 2.891 1.00 0.00 H new ATOM 0 HB3 MET A 35 -8.790 7.151 2.018 1.00 0.00 H new ATOM 0 HG2 MET A 35 -11.712 7.732 2.589 1.00 0.00 H new ATOM 0 HG3 MET A 35 -10.910 7.731 1.031 1.00 0.00 H new ATOM 0 HE1 MET A 35 -13.251 4.661 0.596 1.00 0.00 H new ATOM 0 HE2 MET A 35 -13.431 6.387 0.989 1.00 0.00 H new ATOM 0 HE3 MET A 35 -12.367 5.886 -0.345 1.00 0.00 H new ATOM 540 N ILE A 36 -7.356 5.482 3.734 1.00 0.00 N ATOM 541 CA ILE A 36 -6.506 4.334 3.461 1.00 0.00 C ATOM 542 C ILE A 36 -6.421 3.421 4.667 1.00 0.00 C ATOM 543 O ILE A 36 -6.218 2.215 4.526 1.00 0.00 O ATOM 544 CB ILE A 36 -5.094 4.789 3.007 1.00 0.00 C ATOM 545 CG1 ILE A 36 -5.002 4.736 1.485 1.00 0.00 C ATOM 546 CG2 ILE A 36 -3.987 3.954 3.634 1.00 0.00 C ATOM 547 CD1 ILE A 36 -6.157 5.418 0.800 1.00 0.00 C ATOM 0 H ILE A 36 -6.848 6.353 3.890 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.956 3.768 2.646 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.951 5.814 3.349 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.071 5.204 1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.961 3.695 1.165 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.019 4.312 3.285 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.036 4.041 4.719 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.112 2.910 3.348 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.033 5.346 -0.281 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.090 4.935 1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.185 6.468 1.093 1.00 0.00 H new ATOM 559 N ALA A 37 -6.630 3.984 5.844 1.00 0.00 N ATOM 560 CA ALA A 37 -6.646 3.183 7.057 1.00 0.00 C ATOM 561 C ALA A 37 -7.671 2.027 6.974 1.00 0.00 C ATOM 562 O ALA A 37 -7.266 0.861 6.932 1.00 0.00 O ATOM 563 CB ALA A 37 -6.872 4.065 8.281 1.00 0.00 C ATOM 0 H ALA A 37 -6.789 4.981 5.986 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.667 2.715 7.162 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.881 3.447 9.179 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.069 4.799 8.354 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.828 4.581 8.186 1.00 0.00 H new ATOM 569 N PRO A 38 -9.000 2.294 6.906 1.00 0.00 N ATOM 570 CA PRO A 38 -9.996 1.226 6.958 1.00 0.00 C ATOM 571 C PRO A 38 -10.243 0.531 5.620 1.00 0.00 C ATOM 572 O PRO A 38 -10.579 -0.651 5.605 1.00 0.00 O ATOM 573 CB PRO A 38 -11.251 1.952 7.426 1.00 0.00 C ATOM 574 CG PRO A 38 -11.121 3.312 6.847 1.00 0.00 C ATOM 575 CD PRO A 38 -9.645 3.607 6.778 1.00 0.00 C ATOM 0 HA PRO A 38 -9.669 0.415 7.609 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.154 1.454 7.074 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.309 1.986 8.514 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.572 3.357 5.856 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.635 4.048 7.465 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.380 4.089 5.837 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.337 4.280 7.578 1.00 0.00 H new ATOM 583 N MET A 39 -10.077 1.237 4.495 1.00 0.00 N ATOM 584 CA MET A 39 -10.346 0.632 3.197 1.00 0.00 C ATOM 585 C MET A 39 -9.338 -0.476 2.936 1.00 0.00 C ATOM 586 O MET A 39 -9.691 -1.576 2.527 1.00 0.00 O ATOM 587 CB MET A 39 -10.257 1.689 2.096 1.00 0.00 C ATOM 588 CG MET A 39 -10.201 1.101 0.701 1.00 0.00 C ATOM 589 SD MET A 39 -9.205 2.095 -0.416 1.00 0.00 S ATOM 590 CE MET A 39 -7.796 2.453 0.639 1.00 0.00 C ATOM 0 H MET A 39 -9.764 2.207 4.461 1.00 0.00 H new ATOM 0 HA MET A 39 -11.352 0.212 3.198 1.00 0.00 H new ATOM 0 HB2 MET A 39 -11.119 2.352 2.169 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.370 2.301 2.260 1.00 0.00 H new ATOM 0 HG2 MET A 39 -9.791 0.092 0.750 1.00 0.00 H new ATOM 0 HG3 MET A 39 -11.213 1.015 0.304 1.00 0.00 H new ATOM 0 HE1 MET A 39 -7.011 2.926 0.049 1.00 0.00 H new ATOM 0 HE2 MET A 39 -8.103 3.125 1.441 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.418 1.525 1.068 1.00 0.00 H new ATOM 600 N ILE A 40 -8.088 -0.176 3.220 1.00 0.00 N ATOM 601 CA ILE A 40 -6.998 -1.107 3.012 1.00 0.00 C ATOM 602 C ILE A 40 -7.071 -2.270 3.994 1.00 0.00 C ATOM 603 O ILE A 40 -6.784 -3.411 3.630 1.00 0.00 O ATOM 604 CB ILE A 40 -5.670 -0.341 3.114 1.00 0.00 C ATOM 605 CG1 ILE A 40 -5.031 -0.211 1.741 1.00 0.00 C ATOM 606 CG2 ILE A 40 -4.698 -0.975 4.097 1.00 0.00 C ATOM 607 CD1 ILE A 40 -4.125 0.985 1.632 1.00 0.00 C ATOM 0 H ILE A 40 -7.798 0.724 3.603 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.072 -1.547 2.018 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.903 0.651 3.501 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.461 -1.114 1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.814 -0.138 0.986 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.778 -0.391 4.127 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.147 -0.996 5.090 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.471 -1.993 3.779 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.697 1.027 0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.697 1.893 1.820 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.323 0.902 2.366 1.00 0.00 H new ATOM 619 N GLU A 41 -7.471 -1.991 5.231 1.00 0.00 N ATOM 620 CA GLU A 41 -7.739 -3.072 6.178 1.00 0.00 C ATOM 621 C GLU A 41 -8.893 -3.936 5.674 1.00 0.00 C ATOM 622 O GLU A 41 -8.938 -5.145 5.912 1.00 0.00 O ATOM 623 CB GLU A 41 -8.088 -2.538 7.570 1.00 0.00 C ATOM 624 CG GLU A 41 -6.924 -1.901 8.304 1.00 0.00 C ATOM 625 CD GLU A 41 -7.233 -1.657 9.765 1.00 0.00 C ATOM 626 OE1 GLU A 41 -8.092 -0.804 10.063 1.00 0.00 O ATOM 627 OE2 GLU A 41 -6.620 -2.325 10.624 1.00 0.00 O ATOM 0 H GLU A 41 -7.615 -1.050 5.597 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.829 -3.666 6.256 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.888 -1.804 7.475 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.478 -3.358 8.173 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.049 -2.546 8.222 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.669 -0.955 7.826 1.00 0.00 H new ATOM 634 N LYS A 42 -9.821 -3.299 4.969 1.00 0.00 N ATOM 635 CA LYS A 42 -11.004 -3.968 4.457 1.00 0.00 C ATOM 636 C LYS A 42 -10.642 -4.926 3.321 1.00 0.00 C ATOM 637 O LYS A 42 -11.273 -5.971 3.166 1.00 0.00 O ATOM 638 CB LYS A 42 -12.038 -2.928 3.995 1.00 0.00 C ATOM 639 CG LYS A 42 -13.355 -3.527 3.525 1.00 0.00 C ATOM 640 CD LYS A 42 -14.016 -4.338 4.629 1.00 0.00 C ATOM 641 CE LYS A 42 -15.385 -4.845 4.214 1.00 0.00 C ATOM 642 NZ LYS A 42 -16.358 -3.739 4.025 1.00 0.00 N ATOM 0 H LYS A 42 -9.772 -2.307 4.738 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.444 -4.561 5.259 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.237 -2.240 4.816 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.609 -2.340 3.184 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.026 -2.730 3.204 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.179 -4.164 2.658 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.379 -5.183 4.890 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.112 -3.723 5.524 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.296 -5.411 3.287 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.761 -5.532 4.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.321 -4.128 3.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.291 -3.077 4.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.144 -3.236 3.140 1.00 0.00 H new ATOM 656 N PHE A 43 -9.618 -4.571 2.542 1.00 0.00 N ATOM 657 CA PHE A 43 -9.134 -5.439 1.461 1.00 0.00 C ATOM 658 C PHE A 43 -8.846 -6.841 1.990 1.00 0.00 C ATOM 659 O PHE A 43 -9.511 -7.806 1.613 1.00 0.00 O ATOM 660 CB PHE A 43 -7.843 -4.889 0.831 1.00 0.00 C ATOM 661 CG PHE A 43 -7.973 -3.546 0.185 1.00 0.00 C ATOM 662 CD1 PHE A 43 -9.207 -2.981 -0.046 1.00 0.00 C ATOM 663 CD2 PHE A 43 -6.842 -2.855 -0.202 1.00 0.00 C ATOM 664 CE1 PHE A 43 -9.317 -1.747 -0.648 1.00 0.00 C ATOM 665 CE2 PHE A 43 -6.941 -1.622 -0.802 1.00 0.00 C ATOM 666 CZ PHE A 43 -8.181 -1.066 -1.026 1.00 0.00 C ATOM 0 H PHE A 43 -9.108 -3.693 2.637 1.00 0.00 H new ATOM 0 HA PHE A 43 -9.918 -5.473 0.705 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -7.077 -4.830 1.604 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.490 -5.601 0.085 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.100 -3.512 0.249 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.868 -3.288 -0.031 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -10.291 -1.315 -0.823 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.048 -1.091 -1.097 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.262 -0.098 -1.497 1.00 0.00 H new ATOM 676 N SER A 44 -7.879 -6.949 2.897 1.00 0.00 N ATOM 677 CA SER A 44 -7.444 -8.252 3.367 1.00 0.00 C ATOM 678 C SER A 44 -8.447 -8.849 4.349 1.00 0.00 C ATOM 679 O SER A 44 -8.361 -10.026 4.694 1.00 0.00 O ATOM 680 CB SER A 44 -6.064 -8.166 3.992 1.00 0.00 C ATOM 681 OG SER A 44 -5.201 -7.358 3.208 1.00 0.00 O ATOM 0 H SER A 44 -7.389 -6.158 3.314 1.00 0.00 H new ATOM 0 HA SER A 44 -7.388 -8.915 2.504 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.141 -7.753 4.998 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.642 -9.166 4.090 1.00 0.00 H new ATOM 0 HG SER A 44 -4.520 -7.922 2.785 1.00 0.00 H new ATOM 687 N GLU A 45 -9.373 -8.029 4.831 1.00 0.00 N ATOM 688 CA GLU A 45 -10.492 -8.541 5.608 1.00 0.00 C ATOM 689 C GLU A 45 -11.279 -9.509 4.727 1.00 0.00 C ATOM 690 O GLU A 45 -11.703 -10.578 5.169 1.00 0.00 O ATOM 691 CB GLU A 45 -11.386 -7.390 6.086 1.00 0.00 C ATOM 692 CG GLU A 45 -12.239 -7.715 7.309 1.00 0.00 C ATOM 693 CD GLU A 45 -13.375 -8.676 7.019 1.00 0.00 C ATOM 694 OE1 GLU A 45 -14.349 -8.267 6.350 1.00 0.00 O ATOM 695 OE2 GLU A 45 -13.307 -9.838 7.476 1.00 0.00 O ATOM 0 H GLU A 45 -9.371 -7.018 4.699 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.127 -9.060 6.494 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.757 -6.530 6.316 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.044 -7.094 5.269 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.601 -8.142 8.083 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.651 -6.789 7.711 1.00 0.00 H new ATOM 702 N GLN A 46 -11.417 -9.144 3.458 1.00 0.00 N ATOM 703 CA GLN A 46 -12.101 -9.980 2.494 1.00 0.00 C ATOM 704 C GLN A 46 -11.168 -11.091 2.037 1.00 0.00 C ATOM 705 O GLN A 46 -11.539 -12.263 2.016 1.00 0.00 O ATOM 706 CB GLN A 46 -12.543 -9.152 1.281 1.00 0.00 C ATOM 707 CG GLN A 46 -13.258 -7.851 1.631 1.00 0.00 C ATOM 708 CD GLN A 46 -14.729 -8.022 1.973 1.00 0.00 C ATOM 709 OE1 GLN A 46 -15.529 -7.114 1.753 1.00 0.00 O ATOM 710 NE2 GLN A 46 -15.101 -9.175 2.499 1.00 0.00 N ATOM 0 H GLN A 46 -11.060 -8.268 3.076 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.985 -10.409 2.966 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.666 -8.919 0.677 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.203 -9.760 0.663 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -12.751 -7.387 2.477 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.169 -7.163 0.790 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -14.409 -9.906 2.667 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -16.080 -9.335 2.737 1.00 0.00 H new ATOM 719 N TYR A 47 -9.946 -10.708 1.694 1.00 0.00 N ATOM 720 CA TYR A 47 -8.972 -11.642 1.160 1.00 0.00 C ATOM 721 C TYR A 47 -7.603 -11.500 1.834 1.00 0.00 C ATOM 722 O TYR A 47 -6.746 -10.744 1.384 1.00 0.00 O ATOM 723 CB TYR A 47 -8.857 -11.441 -0.350 1.00 0.00 C ATOM 724 CG TYR A 47 -8.875 -9.990 -0.783 1.00 0.00 C ATOM 725 CD1 TYR A 47 -7.746 -9.186 -0.685 1.00 0.00 C ATOM 726 CD2 TYR A 47 -10.037 -9.428 -1.291 1.00 0.00 C ATOM 727 CE1 TYR A 47 -7.779 -7.866 -1.075 1.00 0.00 C ATOM 728 CE2 TYR A 47 -10.076 -8.109 -1.684 1.00 0.00 C ATOM 729 CZ TYR A 47 -8.947 -7.335 -1.570 1.00 0.00 C ATOM 730 OH TYR A 47 -8.983 -6.018 -1.945 1.00 0.00 O ATOM 0 H TYR A 47 -9.607 -9.750 1.778 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.319 -12.654 1.371 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.932 -11.901 -0.698 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.678 -11.965 -0.839 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.828 -9.603 -0.297 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.926 -10.035 -1.380 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.894 -7.252 -0.993 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.988 -7.686 -2.079 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.622 -5.535 -1.381 1.00 0.00 H new ATOM 740 N PRO A 48 -7.368 -12.239 2.923 1.00 0.00 N ATOM 741 CA PRO A 48 -6.071 -12.245 3.606 1.00 0.00 C ATOM 742 C PRO A 48 -4.965 -12.902 2.769 1.00 0.00 C ATOM 743 O PRO A 48 -3.830 -13.048 3.223 1.00 0.00 O ATOM 744 CB PRO A 48 -6.334 -13.028 4.887 1.00 0.00 C ATOM 745 CG PRO A 48 -7.501 -13.897 4.568 1.00 0.00 C ATOM 746 CD PRO A 48 -8.346 -13.115 3.599 1.00 0.00 C ATOM 0 HA PRO A 48 -5.708 -11.234 3.790 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -5.466 -13.621 5.174 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -6.554 -12.361 5.721 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.177 -14.841 4.130 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.064 -14.141 5.469 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -8.856 -13.769 2.892 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -9.116 -12.538 4.112 1.00 0.00 H new ATOM 754 N GLN A 49 -5.316 -13.325 1.555 1.00 0.00 N ATOM 755 CA GLN A 49 -4.355 -13.916 0.624 1.00 0.00 C ATOM 756 C GLN A 49 -3.289 -12.897 0.229 1.00 0.00 C ATOM 757 O GLN A 49 -2.167 -13.252 -0.129 1.00 0.00 O ATOM 758 CB GLN A 49 -5.086 -14.381 -0.638 1.00 0.00 C ATOM 759 CG GLN A 49 -4.166 -14.914 -1.723 1.00 0.00 C ATOM 760 CD GLN A 49 -4.614 -14.533 -3.120 1.00 0.00 C ATOM 761 OE1 GLN A 49 -4.451 -15.304 -4.064 1.00 0.00 O ATOM 762 NE2 GLN A 49 -5.126 -13.321 -3.277 1.00 0.00 N ATOM 0 H GLN A 49 -6.267 -13.269 1.191 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.874 -14.762 1.116 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.800 -15.159 -0.366 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.661 -13.547 -1.041 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.158 -14.535 -1.555 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.115 -16.000 -1.647 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.246 -12.710 -2.469 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.400 -12.999 -4.205 1.00 0.00 H new ATOM 771 N ALA A 50 -3.642 -11.633 0.326 1.00 0.00 N ATOM 772 CA ALA A 50 -2.729 -10.562 -0.011 1.00 0.00 C ATOM 773 C ALA A 50 -2.174 -9.957 1.261 1.00 0.00 C ATOM 774 O ALA A 50 -2.825 -10.007 2.305 1.00 0.00 O ATOM 775 CB ALA A 50 -3.446 -9.513 -0.832 1.00 0.00 C ATOM 0 H ALA A 50 -4.562 -11.321 0.638 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.904 -10.957 -0.604 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.753 -8.710 -1.082 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.824 -9.965 -1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.279 -9.108 -0.257 1.00 0.00 H new ATOM 781 N ASP A 51 -0.984 -9.383 1.190 1.00 0.00 N ATOM 782 CA ASP A 51 -0.359 -8.875 2.395 1.00 0.00 C ATOM 783 C ASP A 51 -0.701 -7.423 2.615 1.00 0.00 C ATOM 784 O ASP A 51 -0.905 -6.666 1.670 1.00 0.00 O ATOM 785 CB ASP A 51 1.159 -9.052 2.397 1.00 0.00 C ATOM 786 CG ASP A 51 1.618 -9.768 3.647 1.00 0.00 C ATOM 787 OD1 ASP A 51 1.245 -9.340 4.757 1.00 0.00 O ATOM 788 OD2 ASP A 51 2.326 -10.785 3.522 1.00 0.00 O ATOM 0 H ASP A 51 -0.445 -9.260 0.333 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.761 -9.470 3.215 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.464 -9.618 1.517 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.643 -8.077 2.333 1.00 0.00 H new ATOM 793 N PHE A 52 -0.733 -7.051 3.876 1.00 0.00 N ATOM 794 CA PHE A 52 -1.197 -5.745 4.290 1.00 0.00 C ATOM 795 C PHE A 52 -0.090 -4.970 4.987 1.00 0.00 C ATOM 796 O PHE A 52 0.383 -5.373 6.052 1.00 0.00 O ATOM 797 CB PHE A 52 -2.398 -5.911 5.228 1.00 0.00 C ATOM 798 CG PHE A 52 -2.390 -7.197 6.018 1.00 0.00 C ATOM 799 CD1 PHE A 52 -1.705 -7.290 7.218 1.00 0.00 C ATOM 800 CD2 PHE A 52 -3.070 -8.311 5.554 1.00 0.00 C ATOM 801 CE1 PHE A 52 -1.698 -8.468 7.939 1.00 0.00 C ATOM 802 CE2 PHE A 52 -3.068 -9.492 6.271 1.00 0.00 C ATOM 803 CZ PHE A 52 -2.380 -9.572 7.465 1.00 0.00 C ATOM 0 H PHE A 52 -0.436 -7.649 4.647 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.496 -5.180 3.407 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.422 -5.071 5.922 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.314 -5.864 4.639 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.170 -6.431 7.595 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.609 -8.256 4.620 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.159 -8.526 8.873 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.604 -10.352 5.898 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.375 -10.494 8.027 1.00 0.00 H new ATOM 813 N TYR A 53 0.326 -3.860 4.390 1.00 0.00 N ATOM 814 CA TYR A 53 1.360 -3.023 4.985 1.00 0.00 C ATOM 815 C TYR A 53 1.072 -1.539 4.776 1.00 0.00 C ATOM 816 O TYR A 53 0.466 -1.146 3.788 1.00 0.00 O ATOM 817 CB TYR A 53 2.736 -3.370 4.409 1.00 0.00 C ATOM 818 CG TYR A 53 3.219 -4.771 4.726 1.00 0.00 C ATOM 819 CD1 TYR A 53 3.919 -5.031 5.896 1.00 0.00 C ATOM 820 CD2 TYR A 53 2.983 -5.829 3.855 1.00 0.00 C ATOM 821 CE1 TYR A 53 4.369 -6.302 6.192 1.00 0.00 C ATOM 822 CE2 TYR A 53 3.429 -7.105 4.144 1.00 0.00 C ATOM 823 CZ TYR A 53 4.122 -7.337 5.317 1.00 0.00 C ATOM 824 OH TYR A 53 4.571 -8.605 5.616 1.00 0.00 O ATOM 0 H TYR A 53 -0.035 -3.520 3.499 1.00 0.00 H new ATOM 0 HA TYR A 53 1.360 -3.222 6.057 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.703 -3.248 3.326 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.465 -2.654 4.789 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.115 -4.225 6.587 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.442 -5.651 2.937 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.913 -6.484 7.107 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.237 -7.916 3.457 1.00 0.00 H new ATOM 0 HH TYR A 53 4.314 -9.221 4.898 1.00 0.00 H new ATOM 834 N LYS A 54 1.520 -0.736 5.731 1.00 0.00 N ATOM 835 CA LYS A 54 1.315 0.711 5.743 1.00 0.00 C ATOM 836 C LYS A 54 2.635 1.425 6.012 1.00 0.00 C ATOM 837 O LYS A 54 3.571 0.817 6.533 1.00 0.00 O ATOM 838 CB LYS A 54 0.353 1.081 6.872 1.00 0.00 C ATOM 839 CG LYS A 54 -1.130 0.991 6.562 1.00 0.00 C ATOM 840 CD LYS A 54 -1.970 1.454 7.746 1.00 0.00 C ATOM 841 CE LYS A 54 -1.588 0.742 9.035 1.00 0.00 C ATOM 842 NZ LYS A 54 -2.319 1.288 10.208 1.00 0.00 N ATOM 0 H LYS A 54 2.047 -1.076 6.536 1.00 0.00 H new ATOM 0 HA LYS A 54 0.913 1.010 4.775 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.562 0.433 7.723 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.573 2.101 7.186 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.359 1.602 5.689 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.389 -0.037 6.309 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.848 2.529 7.877 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.024 1.276 7.533 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.801 -0.323 8.938 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.515 0.839 9.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.030 0.776 11.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.097 2.298 10.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.342 1.172 10.064 1.00 0.00 H new ATOM 856 N LEU A 55 2.706 2.710 5.672 1.00 0.00 N ATOM 857 CA LEU A 55 3.810 3.554 6.090 1.00 0.00 C ATOM 858 C LEU A 55 3.407 5.024 6.005 1.00 0.00 C ATOM 859 O LEU A 55 2.610 5.412 5.146 1.00 0.00 O ATOM 860 CB LEU A 55 5.061 3.270 5.250 1.00 0.00 C ATOM 861 CG LEU A 55 6.285 4.128 5.583 1.00 0.00 C ATOM 862 CD1 LEU A 55 7.566 3.352 5.327 1.00 0.00 C ATOM 863 CD2 LEU A 55 6.261 5.395 4.750 1.00 0.00 C ATOM 0 H LEU A 55 2.005 3.187 5.105 1.00 0.00 H new ATOM 0 HA LEU A 55 4.053 3.326 7.128 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.330 2.221 5.373 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.812 3.414 4.199 1.00 0.00 H new ATOM 0 HG LEU A 55 6.253 4.394 6.640 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.425 3.978 5.569 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.581 2.458 5.951 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.612 3.063 4.277 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.133 6.004 4.989 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.279 5.135 3.692 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.354 5.958 4.970 1.00 0.00 H new ATOM 875 N ASP A 56 3.959 5.829 6.902 1.00 0.00 N ATOM 876 CA ASP A 56 3.661 7.253 6.956 1.00 0.00 C ATOM 877 C ASP A 56 4.759 8.045 6.259 1.00 0.00 C ATOM 878 O ASP A 56 5.914 8.013 6.686 1.00 0.00 O ATOM 879 CB ASP A 56 3.557 7.703 8.412 1.00 0.00 C ATOM 880 CG ASP A 56 2.351 8.565 8.660 1.00 0.00 C ATOM 881 OD1 ASP A 56 2.423 9.785 8.400 1.00 0.00 O ATOM 882 OD2 ASP A 56 1.331 8.021 9.135 1.00 0.00 O ATOM 0 H ASP A 56 4.623 5.515 7.610 1.00 0.00 H new ATOM 0 HA ASP A 56 2.713 7.434 6.449 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.513 6.826 9.058 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.457 8.255 8.684 1.00 0.00 H new ATOM 887 N VAL A 57 4.412 8.761 5.191 1.00 0.00 N ATOM 888 CA VAL A 57 5.412 9.485 4.409 1.00 0.00 C ATOM 889 C VAL A 57 5.922 10.695 5.188 1.00 0.00 C ATOM 890 O VAL A 57 6.973 11.251 4.876 1.00 0.00 O ATOM 891 CB VAL A 57 4.863 9.943 3.034 1.00 0.00 C ATOM 892 CG1 VAL A 57 3.837 8.956 2.503 1.00 0.00 C ATOM 893 CG2 VAL A 57 4.276 11.342 3.105 1.00 0.00 C ATOM 0 H VAL A 57 3.455 8.855 4.850 1.00 0.00 H new ATOM 0 HA VAL A 57 6.234 8.793 4.225 1.00 0.00 H new ATOM 0 HB VAL A 57 5.703 9.971 2.340 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.467 9.300 1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.301 7.977 2.386 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.006 8.882 3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.901 11.630 2.123 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.457 11.357 3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.048 12.045 3.419 1.00 0.00 H new ATOM 903 N ASP A 58 5.163 11.095 6.202 1.00 0.00 N ATOM 904 CA ASP A 58 5.571 12.185 7.075 1.00 0.00 C ATOM 905 C ASP A 58 6.744 11.735 7.930 1.00 0.00 C ATOM 906 O ASP A 58 7.623 12.527 8.279 1.00 0.00 O ATOM 907 CB ASP A 58 4.406 12.628 7.964 1.00 0.00 C ATOM 908 CG ASP A 58 4.780 13.766 8.897 1.00 0.00 C ATOM 909 OD1 ASP A 58 5.078 14.874 8.406 1.00 0.00 O ATOM 910 OD2 ASP A 58 4.752 13.566 10.128 1.00 0.00 O ATOM 0 H ASP A 58 4.262 10.680 6.438 1.00 0.00 H new ATOM 0 HA ASP A 58 5.874 13.035 6.464 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.572 12.939 7.335 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.061 11.779 8.554 1.00 0.00 H new ATOM 915 N GLU A 59 6.754 10.448 8.250 1.00 0.00 N ATOM 916 CA GLU A 59 7.842 9.863 9.013 1.00 0.00 C ATOM 917 C GLU A 59 8.973 9.396 8.089 1.00 0.00 C ATOM 918 O GLU A 59 10.147 9.624 8.379 1.00 0.00 O ATOM 919 CB GLU A 59 7.324 8.695 9.858 1.00 0.00 C ATOM 920 CG GLU A 59 8.346 8.151 10.844 1.00 0.00 C ATOM 921 CD GLU A 59 7.812 6.998 11.667 1.00 0.00 C ATOM 922 OE1 GLU A 59 7.169 7.249 12.706 1.00 0.00 O ATOM 923 OE2 GLU A 59 8.041 5.831 11.289 1.00 0.00 O ATOM 0 H GLU A 59 6.018 9.790 7.991 1.00 0.00 H new ATOM 0 HA GLU A 59 8.245 10.628 9.677 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.440 9.020 10.407 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.009 7.890 9.194 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.231 7.823 10.299 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.662 8.952 11.512 1.00 0.00 H new ATOM 930 N LEU A 60 8.624 8.759 6.968 1.00 0.00 N ATOM 931 CA LEU A 60 9.633 8.269 6.023 1.00 0.00 C ATOM 932 C LEU A 60 9.407 8.822 4.614 1.00 0.00 C ATOM 933 O LEU A 60 8.859 8.134 3.741 1.00 0.00 O ATOM 934 CB LEU A 60 9.655 6.734 5.954 1.00 0.00 C ATOM 935 CG LEU A 60 10.087 5.984 7.220 1.00 0.00 C ATOM 936 CD1 LEU A 60 11.271 6.669 7.885 1.00 0.00 C ATOM 937 CD2 LEU A 60 8.922 5.837 8.185 1.00 0.00 C ATOM 0 H LEU A 60 7.660 8.571 6.693 1.00 0.00 H new ATOM 0 HA LEU A 60 10.593 8.624 6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.656 6.393 5.683 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.322 6.441 5.143 1.00 0.00 H new ATOM 0 HG LEU A 60 10.407 4.984 6.927 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.556 6.116 8.780 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.112 6.696 7.192 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.995 7.687 8.160 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.252 5.302 9.075 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.558 6.824 8.469 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.119 5.279 7.704 1.00 0.00 H new ATOM 949 N GLY A 61 9.849 10.052 4.391 1.00 0.00 N ATOM 950 CA GLY A 61 9.714 10.668 3.083 1.00 0.00 C ATOM 951 C GLY A 61 10.565 9.989 2.025 1.00 0.00 C ATOM 952 O GLY A 61 10.125 9.803 0.891 1.00 0.00 O ATOM 0 H GLY A 61 10.300 10.637 5.094 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.668 10.637 2.777 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.995 11.719 3.150 1.00 0.00 H new ATOM 956 N ASP A 62 11.781 9.602 2.400 1.00 0.00 N ATOM 957 CA ASP A 62 12.714 8.967 1.467 1.00 0.00 C ATOM 958 C ASP A 62 12.168 7.647 0.960 1.00 0.00 C ATOM 959 O ASP A 62 12.391 7.270 -0.192 1.00 0.00 O ATOM 960 CB ASP A 62 14.072 8.745 2.129 1.00 0.00 C ATOM 961 CG ASP A 62 14.717 10.036 2.585 1.00 0.00 C ATOM 962 OD1 ASP A 62 14.379 10.514 3.689 1.00 0.00 O ATOM 963 OD2 ASP A 62 15.561 10.581 1.844 1.00 0.00 O ATOM 0 H ASP A 62 12.146 9.716 3.345 1.00 0.00 H new ATOM 0 HA ASP A 62 12.839 9.639 0.618 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.950 8.082 2.986 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.736 8.240 1.427 1.00 0.00 H new ATOM 968 N VAL A 63 11.443 6.958 1.819 1.00 0.00 N ATOM 969 CA VAL A 63 10.812 5.703 1.451 1.00 0.00 C ATOM 970 C VAL A 63 9.748 5.944 0.397 1.00 0.00 C ATOM 971 O VAL A 63 9.730 5.272 -0.626 1.00 0.00 O ATOM 972 CB VAL A 63 10.173 5.009 2.659 1.00 0.00 C ATOM 973 CG1 VAL A 63 9.475 3.732 2.229 1.00 0.00 C ATOM 974 CG2 VAL A 63 11.213 4.700 3.719 1.00 0.00 C ATOM 0 H VAL A 63 11.275 7.247 2.783 1.00 0.00 H new ATOM 0 HA VAL A 63 11.592 5.052 1.055 1.00 0.00 H new ATOM 0 HB VAL A 63 9.436 5.689 3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.027 3.252 3.099 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.696 3.969 1.504 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.200 3.056 1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.734 4.208 4.566 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.975 4.043 3.300 1.00 0.00 H new ATOM 0 HG23 VAL A 63 11.678 5.627 4.054 1.00 0.00 H new ATOM 984 N ALA A 64 8.872 6.913 0.645 1.00 0.00 N ATOM 985 CA ALA A 64 7.863 7.297 -0.330 1.00 0.00 C ATOM 986 C ALA A 64 8.499 7.553 -1.692 1.00 0.00 C ATOM 987 O ALA A 64 7.964 7.157 -2.727 1.00 0.00 O ATOM 988 CB ALA A 64 7.115 8.529 0.149 1.00 0.00 C ATOM 0 H ALA A 64 8.843 7.446 1.514 1.00 0.00 H new ATOM 0 HA ALA A 64 7.154 6.476 -0.436 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.362 8.807 -0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.628 8.312 1.100 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.817 9.353 0.280 1.00 0.00 H new ATOM 994 N GLN A 65 9.671 8.174 -1.678 1.00 0.00 N ATOM 995 CA GLN A 65 10.391 8.464 -2.914 1.00 0.00 C ATOM 996 C GLN A 65 10.901 7.173 -3.538 1.00 0.00 C ATOM 997 O GLN A 65 10.870 7.003 -4.754 1.00 0.00 O ATOM 998 CB GLN A 65 11.566 9.414 -2.655 1.00 0.00 C ATOM 999 CG GLN A 65 11.173 10.726 -1.996 1.00 0.00 C ATOM 1000 CD GLN A 65 10.194 11.542 -2.821 1.00 0.00 C ATOM 1001 OE1 GLN A 65 9.374 12.277 -2.272 1.00 0.00 O ATOM 1002 NE2 GLN A 65 10.279 11.431 -4.139 1.00 0.00 N ATOM 0 H GLN A 65 10.143 8.486 -0.829 1.00 0.00 H new ATOM 0 HA GLN A 65 9.700 8.950 -3.603 1.00 0.00 H new ATOM 0 HB2 GLN A 65 12.296 8.907 -2.023 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.060 9.630 -3.602 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.731 10.517 -1.022 1.00 0.00 H new ATOM 0 HG3 GLN A 65 12.070 11.319 -1.818 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.973 10.810 -4.555 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.650 11.967 -4.738 1.00 0.00 H new ATOM 1011 N LYS A 66 11.344 6.257 -2.685 1.00 0.00 N ATOM 1012 CA LYS A 66 11.844 4.968 -3.101 1.00 0.00 C ATOM 1013 C LYS A 66 10.777 4.172 -3.871 1.00 0.00 C ATOM 1014 O LYS A 66 11.101 3.315 -4.697 1.00 0.00 O ATOM 1015 CB LYS A 66 12.314 4.214 -1.842 1.00 0.00 C ATOM 1016 CG LYS A 66 12.099 2.720 -1.890 1.00 0.00 C ATOM 1017 CD LYS A 66 13.177 2.021 -2.703 1.00 0.00 C ATOM 1018 CE LYS A 66 12.827 0.565 -2.953 1.00 0.00 C ATOM 1019 NZ LYS A 66 11.591 0.428 -3.768 1.00 0.00 N ATOM 0 H LYS A 66 11.363 6.398 -1.675 1.00 0.00 H new ATOM 0 HA LYS A 66 12.680 5.098 -3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.375 4.411 -1.691 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.789 4.616 -0.976 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.092 2.321 -0.876 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.122 2.507 -2.323 1.00 0.00 H new ATOM 0 HD2 LYS A 66 13.306 2.534 -3.656 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.129 2.082 -2.176 1.00 0.00 H new ATOM 0 HE2 LYS A 66 13.656 0.074 -3.463 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.693 0.054 -2.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.820 0.068 -3.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.325 1.356 -4.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.762 -0.236 -4.550 1.00 0.00 H new ATOM 1033 N ASN A 67 9.510 4.472 -3.622 1.00 0.00 N ATOM 1034 CA ASN A 67 8.425 3.684 -4.172 1.00 0.00 C ATOM 1035 C ASN A 67 7.677 4.447 -5.240 1.00 0.00 C ATOM 1036 O ASN A 67 6.790 3.894 -5.885 1.00 0.00 O ATOM 1037 CB ASN A 67 7.443 3.342 -3.078 1.00 0.00 C ATOM 1038 CG ASN A 67 8.108 2.963 -1.788 1.00 0.00 C ATOM 1039 OD1 ASN A 67 9.066 2.189 -1.754 1.00 0.00 O ATOM 1040 ND2 ASN A 67 7.623 3.553 -0.719 1.00 0.00 N ATOM 0 H ASN A 67 9.212 5.256 -3.042 1.00 0.00 H new ATOM 0 HA ASN A 67 8.860 2.784 -4.607 1.00 0.00 H new ATOM 0 HB2 ASN A 67 6.789 4.196 -2.905 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.811 2.518 -3.410 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.042 3.378 0.194 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.827 4.186 -0.802 1.00 0.00 H new ATOM 1047 N GLU A 68 8.010 5.729 -5.379 1.00 0.00 N ATOM 1048 CA GLU A 68 7.382 6.600 -6.364 1.00 0.00 C ATOM 1049 C GLU A 68 6.020 7.079 -5.881 1.00 0.00 C ATOM 1050 O GLU A 68 5.131 7.372 -6.681 1.00 0.00 O ATOM 1051 CB GLU A 68 7.231 5.900 -7.714 1.00 0.00 C ATOM 1052 CG GLU A 68 8.550 5.474 -8.337 1.00 0.00 C ATOM 1053 CD GLU A 68 8.355 4.748 -9.648 1.00 0.00 C ATOM 1054 OE1 GLU A 68 8.208 5.423 -10.690 1.00 0.00 O ATOM 1055 OE2 GLU A 68 8.340 3.498 -9.646 1.00 0.00 O ATOM 0 H GLU A 68 8.722 6.190 -4.812 1.00 0.00 H new ATOM 0 HA GLU A 68 8.036 7.462 -6.492 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.599 5.021 -7.588 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.714 6.568 -8.403 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.173 6.353 -8.500 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.086 4.828 -7.642 1.00 0.00 H new ATOM 1062 N VAL A 69 5.854 7.151 -4.571 1.00 0.00 N ATOM 1063 CA VAL A 69 4.636 7.694 -3.996 1.00 0.00 C ATOM 1064 C VAL A 69 4.892 9.082 -3.416 1.00 0.00 C ATOM 1065 O VAL A 69 5.602 9.241 -2.428 1.00 0.00 O ATOM 1066 CB VAL A 69 3.994 6.753 -2.936 1.00 0.00 C ATOM 1067 CG1 VAL A 69 5.029 6.067 -2.054 1.00 0.00 C ATOM 1068 CG2 VAL A 69 3.002 7.518 -2.074 1.00 0.00 C ATOM 0 H VAL A 69 6.545 6.841 -3.888 1.00 0.00 H new ATOM 0 HA VAL A 69 3.912 7.778 -4.807 1.00 0.00 H new ATOM 0 HB VAL A 69 3.471 5.972 -3.488 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.524 5.423 -1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.694 5.466 -2.674 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.611 6.820 -1.522 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.563 6.844 -1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.517 8.330 -1.560 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.214 7.930 -2.704 1.00 0.00 H new ATOM 1078 N SER A 70 4.337 10.085 -4.077 1.00 0.00 N ATOM 1079 CA SER A 70 4.450 11.461 -3.626 1.00 0.00 C ATOM 1080 C SER A 70 3.071 12.021 -3.295 1.00 0.00 C ATOM 1081 O SER A 70 2.917 12.820 -2.371 1.00 0.00 O ATOM 1082 CB SER A 70 5.127 12.309 -4.703 1.00 0.00 C ATOM 1083 OG SER A 70 6.388 11.760 -5.056 1.00 0.00 O ATOM 0 H SER A 70 3.799 9.969 -4.936 1.00 0.00 H new ATOM 0 HA SER A 70 5.060 11.490 -2.723 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.489 12.363 -5.585 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.257 13.329 -4.341 1.00 0.00 H new ATOM 0 HG SER A 70 6.805 12.316 -5.747 1.00 0.00 H new ATOM 1089 N ALA A 71 2.069 11.589 -4.054 1.00 0.00 N ATOM 1090 CA ALA A 71 0.693 11.981 -3.791 1.00 0.00 C ATOM 1091 C ALA A 71 0.129 11.137 -2.658 1.00 0.00 C ATOM 1092 O ALA A 71 0.694 10.097 -2.317 1.00 0.00 O ATOM 1093 CB ALA A 71 -0.153 11.829 -5.047 1.00 0.00 C ATOM 0 H ALA A 71 2.186 10.968 -4.855 1.00 0.00 H new ATOM 0 HA ALA A 71 0.671 13.030 -3.495 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.179 12.126 -4.833 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.251 12.463 -5.837 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.137 10.789 -5.373 1.00 0.00 H new ATOM 1099 N MET A 72 -0.967 11.576 -2.062 1.00 0.00 N ATOM 1100 CA MET A 72 -1.527 10.860 -0.929 1.00 0.00 C ATOM 1101 C MET A 72 -3.035 11.054 -0.821 1.00 0.00 C ATOM 1102 O MET A 72 -3.574 12.093 -1.212 1.00 0.00 O ATOM 1103 CB MET A 72 -0.846 11.312 0.364 1.00 0.00 C ATOM 1104 CG MET A 72 -0.954 12.803 0.619 1.00 0.00 C ATOM 1105 SD MET A 72 0.011 13.325 2.045 1.00 0.00 S ATOM 1106 CE MET A 72 1.652 12.810 1.542 1.00 0.00 C ATOM 0 H MET A 72 -1.480 12.413 -2.339 1.00 0.00 H new ATOM 0 HA MET A 72 -1.343 9.797 -1.087 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.288 10.776 1.204 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.207 11.034 0.326 1.00 0.00 H new ATOM 0 HG2 MET A 72 -0.616 13.346 -0.264 1.00 0.00 H new ATOM 0 HG3 MET A 72 -2.000 13.068 0.775 1.00 0.00 H new ATOM 0 HE1 MET A 72 2.397 13.330 2.144 1.00 0.00 H new ATOM 0 HE2 MET A 72 1.756 11.734 1.686 1.00 0.00 H new ATOM 0 HE3 MET A 72 1.803 13.052 0.490 1.00 0.00 H new ATOM 1116 N PRO A 73 -3.735 10.039 -0.296 1.00 0.00 N ATOM 1117 CA PRO A 73 -3.118 8.762 0.067 1.00 0.00 C ATOM 1118 C PRO A 73 -2.899 7.850 -1.150 1.00 0.00 C ATOM 1119 O PRO A 73 -3.644 7.913 -2.126 1.00 0.00 O ATOM 1120 CB PRO A 73 -4.121 8.156 1.043 1.00 0.00 C ATOM 1121 CG PRO A 73 -5.446 8.742 0.677 1.00 0.00 C ATOM 1122 CD PRO A 73 -5.176 10.072 0.017 1.00 0.00 C ATOM 0 HA PRO A 73 -2.122 8.888 0.492 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.138 7.069 0.963 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.858 8.395 2.073 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.987 8.079 0.001 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.068 8.871 1.563 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.776 10.198 -0.884 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.420 10.902 0.680 1.00 0.00 H new ATOM 1130 N THR A 74 -1.876 7.007 -1.075 1.00 0.00 N ATOM 1131 CA THR A 74 -1.470 6.173 -2.201 1.00 0.00 C ATOM 1132 C THR A 74 -1.407 4.702 -1.820 1.00 0.00 C ATOM 1133 O THR A 74 -0.975 4.337 -0.727 1.00 0.00 O ATOM 1134 CB THR A 74 -0.093 6.621 -2.745 1.00 0.00 C ATOM 1135 OG1 THR A 74 -0.217 7.880 -3.415 1.00 0.00 O ATOM 1136 CG2 THR A 74 0.525 5.588 -3.690 1.00 0.00 C ATOM 0 H THR A 74 -1.307 6.882 -0.238 1.00 0.00 H new ATOM 0 HA THR A 74 -2.226 6.296 -2.977 1.00 0.00 H new ATOM 0 HB THR A 74 0.575 6.720 -1.889 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.100 8.607 -2.769 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.490 5.950 -4.044 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.663 4.646 -3.159 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.138 5.431 -4.541 1.00 0.00 H new ATOM 1144 N LEU A 75 -1.856 3.868 -2.736 1.00 0.00 N ATOM 1145 CA LEU A 75 -1.773 2.436 -2.586 1.00 0.00 C ATOM 1146 C LEU A 75 -0.845 1.868 -3.651 1.00 0.00 C ATOM 1147 O LEU A 75 -1.048 2.105 -4.845 1.00 0.00 O ATOM 1148 CB LEU A 75 -3.149 1.809 -2.756 1.00 0.00 C ATOM 1149 CG LEU A 75 -4.259 2.350 -1.856 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -5.082 3.432 -2.561 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -5.143 1.206 -1.428 1.00 0.00 C ATOM 0 H LEU A 75 -2.290 4.170 -3.608 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.390 2.210 -1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.457 1.938 -3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.060 0.737 -2.581 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.805 2.814 -0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.861 3.792 -1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.431 4.261 -2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.540 3.014 -3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.939 1.582 -0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.580 0.735 -2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.550 0.473 -0.881 1.00 0.00 H new ATOM 1163 N LEU A 76 0.171 1.134 -3.236 1.00 0.00 N ATOM 1164 CA LEU A 76 1.079 0.513 -4.181 1.00 0.00 C ATOM 1165 C LEU A 76 1.003 -1.004 -4.078 1.00 0.00 C ATOM 1166 O LEU A 76 1.272 -1.583 -3.027 1.00 0.00 O ATOM 1167 CB LEU A 76 2.510 0.999 -3.948 1.00 0.00 C ATOM 1168 CG LEU A 76 3.154 1.694 -5.153 1.00 0.00 C ATOM 1169 CD1 LEU A 76 4.551 2.191 -4.811 1.00 0.00 C ATOM 1170 CD2 LEU A 76 3.191 0.751 -6.351 1.00 0.00 C ATOM 0 H LEU A 76 0.387 0.954 -2.256 1.00 0.00 H new ATOM 0 HA LEU A 76 0.779 0.802 -5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.512 1.689 -3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.127 0.146 -3.665 1.00 0.00 H new ATOM 0 HG LEU A 76 2.547 2.560 -5.415 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.987 2.680 -5.682 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.493 2.902 -3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.176 1.347 -4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.651 1.258 -7.199 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.773 -0.135 -6.099 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.175 0.455 -6.613 1.00 0.00 H new ATOM 1182 N LEU A 77 0.611 -1.633 -5.174 1.00 0.00 N ATOM 1183 CA LEU A 77 0.475 -3.081 -5.230 1.00 0.00 C ATOM 1184 C LEU A 77 1.706 -3.676 -5.900 1.00 0.00 C ATOM 1185 O LEU A 77 2.121 -3.214 -6.966 1.00 0.00 O ATOM 1186 CB LEU A 77 -0.768 -3.484 -6.040 1.00 0.00 C ATOM 1187 CG LEU A 77 -2.152 -3.305 -5.388 1.00 0.00 C ATOM 1188 CD1 LEU A 77 -2.263 -2.007 -4.599 1.00 0.00 C ATOM 1189 CD2 LEU A 77 -3.206 -3.329 -6.480 1.00 0.00 C ATOM 0 H LEU A 77 0.379 -1.158 -6.046 1.00 0.00 H new ATOM 0 HA LEU A 77 0.373 -3.456 -4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.761 -2.912 -6.968 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.662 -4.534 -6.312 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.301 -4.121 -4.680 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.258 -1.932 -4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.516 -1.998 -3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.095 -1.161 -5.265 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.193 -3.203 -6.036 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.019 -2.518 -7.184 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.163 -4.283 -7.006 1.00 0.00 H new ATOM 1201 N PHE A 78 2.279 -4.697 -5.289 1.00 0.00 N ATOM 1202 CA PHE A 78 3.423 -5.388 -5.869 1.00 0.00 C ATOM 1203 C PHE A 78 3.206 -6.888 -5.847 1.00 0.00 C ATOM 1204 O PHE A 78 2.364 -7.383 -5.099 1.00 0.00 O ATOM 1205 CB PHE A 78 4.707 -5.077 -5.102 1.00 0.00 C ATOM 1206 CG PHE A 78 5.245 -3.691 -5.316 1.00 0.00 C ATOM 1207 CD1 PHE A 78 4.702 -2.610 -4.652 1.00 0.00 C ATOM 1208 CD2 PHE A 78 6.312 -3.479 -6.171 1.00 0.00 C ATOM 1209 CE1 PHE A 78 5.212 -1.344 -4.839 1.00 0.00 C ATOM 1210 CE2 PHE A 78 6.824 -2.214 -6.366 1.00 0.00 C ATOM 1211 CZ PHE A 78 6.273 -1.143 -5.697 1.00 0.00 C ATOM 0 H PHE A 78 1.973 -5.069 -4.390 1.00 0.00 H new ATOM 0 HA PHE A 78 3.522 -5.038 -6.896 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.522 -5.220 -4.037 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.471 -5.798 -5.392 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.870 -2.758 -3.980 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.750 -4.317 -6.693 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.780 -0.506 -4.312 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.654 -2.063 -7.041 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.670 -0.150 -5.844 1.00 0.00 H new ATOM 1221 N LYS A 79 3.943 -7.611 -6.677 1.00 0.00 N ATOM 1222 CA LYS A 79 4.018 -9.053 -6.533 1.00 0.00 C ATOM 1223 C LYS A 79 5.419 -9.534 -6.898 1.00 0.00 C ATOM 1224 O LYS A 79 5.963 -9.126 -7.913 1.00 0.00 O ATOM 1225 CB LYS A 79 2.950 -9.744 -7.390 1.00 0.00 C ATOM 1226 CG LYS A 79 2.801 -11.228 -7.084 1.00 0.00 C ATOM 1227 CD LYS A 79 1.495 -11.815 -7.615 1.00 0.00 C ATOM 1228 CE LYS A 79 1.423 -11.828 -9.136 1.00 0.00 C ATOM 1229 NZ LYS A 79 0.997 -10.520 -9.699 1.00 0.00 N ATOM 0 H LYS A 79 4.490 -7.227 -7.447 1.00 0.00 H new ATOM 0 HA LYS A 79 3.821 -9.317 -5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 79 1.992 -9.249 -7.232 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.203 -9.621 -8.443 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.641 -11.770 -7.519 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.849 -11.378 -6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.383 -12.833 -7.243 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.658 -11.238 -7.222 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.400 -12.092 -9.540 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.726 -12.602 -9.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.472 -10.677 -10.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.385 -10.031 -9.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.835 -9.936 -9.893 1.00 0.00 H new ATOM 1243 N ASN A 80 6.003 -10.365 -6.030 1.00 0.00 N ATOM 1244 CA ASN A 80 7.341 -10.954 -6.232 1.00 0.00 C ATOM 1245 C ASN A 80 8.401 -9.937 -6.675 1.00 0.00 C ATOM 1246 O ASN A 80 9.100 -10.136 -7.672 1.00 0.00 O ATOM 1247 CB ASN A 80 7.312 -12.164 -7.195 1.00 0.00 C ATOM 1248 CG ASN A 80 6.665 -11.901 -8.547 1.00 0.00 C ATOM 1249 OD1 ASN A 80 5.464 -12.103 -8.728 1.00 0.00 O ATOM 1250 ND2 ASN A 80 7.460 -11.466 -9.512 1.00 0.00 N ATOM 0 H ASN A 80 5.561 -10.654 -5.157 1.00 0.00 H new ATOM 0 HA ASN A 80 7.640 -11.310 -5.246 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.335 -12.502 -7.359 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.781 -12.982 -6.709 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.082 -11.287 -10.442 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.451 -11.310 -9.325 1.00 0.00 H new ATOM 1257 N GLY A 81 8.526 -8.854 -5.920 1.00 0.00 N ATOM 1258 CA GLY A 81 9.610 -7.907 -6.141 1.00 0.00 C ATOM 1259 C GLY A 81 9.368 -6.976 -7.310 1.00 0.00 C ATOM 1260 O GLY A 81 10.214 -6.141 -7.630 1.00 0.00 O ATOM 0 H GLY A 81 7.896 -8.611 -5.156 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.754 -7.314 -5.238 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.535 -8.458 -6.311 1.00 0.00 H new ATOM 1264 N LYS A 82 8.223 -7.108 -7.949 1.00 0.00 N ATOM 1265 CA LYS A 82 7.851 -6.213 -9.016 1.00 0.00 C ATOM 1266 C LYS A 82 6.499 -5.618 -8.697 1.00 0.00 C ATOM 1267 O LYS A 82 5.775 -6.156 -7.867 1.00 0.00 O ATOM 1268 CB LYS A 82 7.822 -6.954 -10.355 1.00 0.00 C ATOM 1269 CG LYS A 82 6.819 -8.096 -10.412 1.00 0.00 C ATOM 1270 CD LYS A 82 6.716 -8.708 -11.801 1.00 0.00 C ATOM 1271 CE LYS A 82 5.775 -7.928 -12.713 1.00 0.00 C ATOM 1272 NZ LYS A 82 6.280 -6.569 -13.039 1.00 0.00 N ATOM 0 H LYS A 82 7.534 -7.831 -7.743 1.00 0.00 H new ATOM 0 HA LYS A 82 8.587 -5.414 -9.102 1.00 0.00 H new ATOM 0 HB2 LYS A 82 7.591 -6.242 -11.147 1.00 0.00 H new ATOM 0 HB3 LYS A 82 8.817 -7.348 -10.561 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.110 -8.867 -9.699 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.839 -7.731 -10.105 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.707 -8.745 -12.253 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.366 -9.737 -11.717 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.627 -8.487 -13.637 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.800 -7.842 -12.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.884 -6.261 -13.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.992 -5.904 -12.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.318 -6.590 -13.102 1.00 0.00 H new ATOM 1286 N GLU A 83 6.170 -4.507 -9.321 1.00 0.00 N ATOM 1287 CA GLU A 83 4.883 -3.870 -9.113 1.00 0.00 C ATOM 1288 C GLU A 83 3.769 -4.764 -9.661 1.00 0.00 C ATOM 1289 O GLU A 83 4.014 -5.902 -10.069 1.00 0.00 O ATOM 1290 CB GLU A 83 4.888 -2.505 -9.820 1.00 0.00 C ATOM 1291 CG GLU A 83 3.764 -1.563 -9.407 1.00 0.00 C ATOM 1292 CD GLU A 83 3.936 -0.180 -9.992 1.00 0.00 C ATOM 1293 OE1 GLU A 83 4.743 0.608 -9.454 1.00 0.00 O ATOM 1294 OE2 GLU A 83 3.263 0.128 -10.998 1.00 0.00 O ATOM 0 H GLU A 83 6.779 -4.022 -9.981 1.00 0.00 H new ATOM 0 HA GLU A 83 4.704 -3.720 -8.048 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.842 -2.015 -9.626 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.827 -2.669 -10.896 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.808 -1.976 -9.730 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.730 -1.494 -8.320 1.00 0.00 H new ATOM 1301 N VAL A 84 2.544 -4.278 -9.562 1.00 0.00 N ATOM 1302 CA VAL A 84 1.423 -4.793 -10.331 1.00 0.00 C ATOM 1303 C VAL A 84 0.410 -3.684 -10.563 1.00 0.00 C ATOM 1304 O VAL A 84 -0.255 -3.652 -11.599 1.00 0.00 O ATOM 1305 CB VAL A 84 0.719 -6.002 -9.685 1.00 0.00 C ATOM 1306 CG1 VAL A 84 1.406 -7.306 -10.049 1.00 0.00 C ATOM 1307 CG2 VAL A 84 0.665 -5.843 -8.189 1.00 0.00 C ATOM 0 H VAL A 84 2.297 -3.508 -8.940 1.00 0.00 H new ATOM 0 HA VAL A 84 1.840 -5.148 -11.273 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.298 -6.038 -10.075 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.883 -8.137 -9.576 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.390 -7.436 -11.131 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.439 -7.283 -9.701 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.165 -6.706 -7.749 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.678 -5.771 -7.794 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.113 -4.937 -7.939 1.00 0.00 H new ATOM 1317 N ALA A 85 0.310 -2.758 -9.606 1.00 0.00 N ATOM 1318 CA ALA A 85 -0.602 -1.630 -9.733 1.00 0.00 C ATOM 1319 C ALA A 85 -0.272 -0.522 -8.738 1.00 0.00 C ATOM 1320 O ALA A 85 0.323 -0.769 -7.694 1.00 0.00 O ATOM 1321 CB ALA A 85 -2.043 -2.092 -9.562 1.00 0.00 C ATOM 0 H ALA A 85 0.849 -2.771 -8.740 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.480 -1.217 -10.734 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.713 -1.238 -9.660 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.282 -2.830 -10.328 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.167 -2.540 -8.576 1.00 0.00 H new ATOM 1327 N LYS A 86 -0.649 0.705 -9.083 1.00 0.00 N ATOM 1328 CA LYS A 86 -0.438 1.860 -8.216 1.00 0.00 C ATOM 1329 C LYS A 86 -1.587 2.850 -8.370 1.00 0.00 C ATOM 1330 O LYS A 86 -1.919 3.252 -9.484 1.00 0.00 O ATOM 1331 CB LYS A 86 0.885 2.553 -8.553 1.00 0.00 C ATOM 1332 CG LYS A 86 1.156 3.789 -7.701 1.00 0.00 C ATOM 1333 CD LYS A 86 2.333 4.619 -8.212 1.00 0.00 C ATOM 1334 CE LYS A 86 3.642 3.839 -8.222 1.00 0.00 C ATOM 1335 NZ LYS A 86 3.800 3.020 -9.453 1.00 0.00 N ATOM 0 H LYS A 86 -1.107 0.927 -9.967 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.399 1.510 -7.185 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.702 1.844 -8.421 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.879 2.840 -9.605 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.262 4.412 -7.679 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.355 3.480 -6.675 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.115 4.968 -9.221 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.447 5.504 -7.586 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.478 4.534 -8.141 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.682 3.189 -7.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.037 2.042 -9.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.911 3.029 -9.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.563 3.416 -10.038 1.00 0.00 H new ATOM 1349 N VAL A 87 -2.203 3.223 -7.260 1.00 0.00 N ATOM 1350 CA VAL A 87 -3.308 4.169 -7.287 1.00 0.00 C ATOM 1351 C VAL A 87 -3.128 5.230 -6.212 1.00 0.00 C ATOM 1352 O VAL A 87 -2.663 4.936 -5.112 1.00 0.00 O ATOM 1353 CB VAL A 87 -4.677 3.474 -7.120 1.00 0.00 C ATOM 1354 CG1 VAL A 87 -5.040 2.691 -8.374 1.00 0.00 C ATOM 1355 CG2 VAL A 87 -4.673 2.556 -5.911 1.00 0.00 C ATOM 0 H VAL A 87 -1.957 2.886 -6.329 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.298 4.643 -8.268 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.429 4.247 -6.963 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.008 2.209 -8.235 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.092 3.370 -9.225 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -4.281 1.932 -8.561 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.648 2.078 -5.814 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -3.905 1.793 -6.036 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.463 3.138 -5.013 1.00 0.00 H new ATOM 1365 N VAL A 88 -3.502 6.457 -6.527 1.00 0.00 N ATOM 1366 CA VAL A 88 -3.334 7.567 -5.601 1.00 0.00 C ATOM 1367 C VAL A 88 -4.682 8.034 -5.058 1.00 0.00 C ATOM 1368 O VAL A 88 -4.942 9.234 -4.940 1.00 0.00 O ATOM 1369 CB VAL A 88 -2.592 8.749 -6.268 1.00 0.00 C ATOM 1370 CG1 VAL A 88 -1.135 8.392 -6.516 1.00 0.00 C ATOM 1371 CG2 VAL A 88 -3.266 9.147 -7.576 1.00 0.00 C ATOM 0 H VAL A 88 -3.925 6.712 -7.419 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.728 7.208 -4.769 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.634 9.600 -5.588 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.629 9.235 -6.986 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.651 8.160 -5.567 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.080 7.524 -7.173 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.725 9.980 -8.025 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.260 8.299 -8.261 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.295 9.447 -7.378 1.00 0.00 H new ATOM 1381 N GLY A 89 -5.531 7.078 -4.706 1.00 0.00 N ATOM 1382 CA GLY A 89 -6.855 7.408 -4.243 1.00 0.00 C ATOM 1383 C GLY A 89 -7.629 6.184 -3.814 1.00 0.00 C ATOM 1384 O GLY A 89 -7.800 5.246 -4.595 1.00 0.00 O ATOM 0 H GLY A 89 -5.322 6.080 -4.735 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.783 8.103 -3.406 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.399 7.920 -5.037 1.00 0.00 H new ATOM 1388 N ALA A 90 -8.064 6.183 -2.562 1.00 0.00 N ATOM 1389 CA ALA A 90 -8.878 5.111 -2.020 1.00 0.00 C ATOM 1390 C ALA A 90 -10.173 4.952 -2.789 1.00 0.00 C ATOM 1391 O ALA A 90 -11.059 5.805 -2.721 1.00 0.00 O ATOM 1392 CB ALA A 90 -9.188 5.393 -0.569 1.00 0.00 C ATOM 0 H ALA A 90 -7.861 6.927 -1.895 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.313 4.183 -2.110 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.799 4.587 -0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.258 5.461 -0.005 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.731 6.335 -0.489 1.00 0.00 H new ATOM 1398 N ASN A 91 -10.278 3.872 -3.529 1.00 0.00 N ATOM 1399 CA ASN A 91 -11.501 3.571 -4.234 1.00 0.00 C ATOM 1400 C ASN A 91 -12.083 2.271 -3.711 1.00 0.00 C ATOM 1401 O ASN A 91 -11.746 1.203 -4.215 1.00 0.00 O ATOM 1402 CB ASN A 91 -11.238 3.480 -5.731 1.00 0.00 C ATOM 1403 CG ASN A 91 -12.272 4.246 -6.537 1.00 0.00 C ATOM 1404 OD1 ASN A 91 -12.600 3.872 -7.661 1.00 0.00 O ATOM 1405 ND2 ASN A 91 -12.797 5.322 -5.965 1.00 0.00 N ATOM 0 H ASN A 91 -9.532 3.189 -3.658 1.00 0.00 H new ATOM 0 HA ASN A 91 -12.221 4.372 -4.064 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.245 3.872 -5.949 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.242 2.434 -6.037 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.499 5.871 -6.460 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -12.498 5.600 -5.030 1.00 0.00 H new ATOM 1412 N PRO A 92 -12.952 2.367 -2.686 1.00 0.00 N ATOM 1413 CA PRO A 92 -13.508 1.229 -1.952 1.00 0.00 C ATOM 1414 C PRO A 92 -13.577 -0.086 -2.737 1.00 0.00 C ATOM 1415 O PRO A 92 -12.705 -0.936 -2.594 1.00 0.00 O ATOM 1416 CB PRO A 92 -14.898 1.743 -1.600 1.00 0.00 C ATOM 1417 CG PRO A 92 -14.695 3.202 -1.338 1.00 0.00 C ATOM 1418 CD PRO A 92 -13.472 3.631 -2.127 1.00 0.00 C ATOM 0 HA PRO A 92 -12.882 0.950 -1.104 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.602 1.579 -2.416 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -15.301 1.234 -0.725 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -15.571 3.774 -1.644 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -14.551 3.386 -0.273 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -13.732 4.339 -2.914 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -12.735 4.119 -1.489 1.00 0.00 H new ATOM 1426 N ALA A 93 -14.574 -0.236 -3.594 1.00 0.00 N ATOM 1427 CA ALA A 93 -14.816 -1.517 -4.248 1.00 0.00 C ATOM 1428 C ALA A 93 -13.865 -1.755 -5.409 1.00 0.00 C ATOM 1429 O ALA A 93 -13.437 -2.885 -5.646 1.00 0.00 O ATOM 1430 CB ALA A 93 -16.261 -1.600 -4.715 1.00 0.00 C ATOM 0 H ALA A 93 -15.225 0.505 -3.853 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.630 -2.302 -3.515 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.431 -2.560 -5.202 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -16.927 -1.505 -3.857 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.462 -0.794 -5.421 1.00 0.00 H new ATOM 1436 N ALA A 94 -13.519 -0.695 -6.119 1.00 0.00 N ATOM 1437 CA ALA A 94 -12.664 -0.813 -7.292 1.00 0.00 C ATOM 1438 C ALA A 94 -11.268 -1.273 -6.916 1.00 0.00 C ATOM 1439 O ALA A 94 -10.631 -2.013 -7.664 1.00 0.00 O ATOM 1440 CB ALA A 94 -12.598 0.512 -8.037 1.00 0.00 C ATOM 0 H ALA A 94 -13.816 0.257 -5.906 1.00 0.00 H new ATOM 0 HA ALA A 94 -13.101 -1.567 -7.947 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.955 0.406 -8.911 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.600 0.800 -8.356 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -12.192 1.280 -7.378 1.00 0.00 H new ATOM 1446 N ILE A 95 -10.795 -0.860 -5.750 1.00 0.00 N ATOM 1447 CA ILE A 95 -9.456 -1.229 -5.337 1.00 0.00 C ATOM 1448 C ILE A 95 -9.463 -2.585 -4.642 1.00 0.00 C ATOM 1449 O ILE A 95 -8.501 -3.341 -4.758 1.00 0.00 O ATOM 1450 CB ILE A 95 -8.781 -0.165 -4.447 1.00 0.00 C ATOM 1451 CG1 ILE A 95 -8.770 1.196 -5.148 1.00 0.00 C ATOM 1452 CG2 ILE A 95 -7.359 -0.584 -4.117 1.00 0.00 C ATOM 1453 CD1 ILE A 95 -8.127 1.182 -6.520 1.00 0.00 C ATOM 0 H ILE A 95 -11.309 -0.280 -5.086 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.859 -1.295 -6.246 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.353 -0.078 -3.523 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.796 1.551 -5.243 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.242 1.912 -4.519 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.893 0.175 -3.488 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.374 -1.536 -3.586 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.788 -0.692 -5.039 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.160 2.184 -6.948 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.090 0.859 -6.432 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -8.668 0.493 -7.168 1.00 0.00 H new ATOM 1465 N LYS A 96 -10.550 -2.924 -3.947 1.00 0.00 N ATOM 1466 CA LYS A 96 -10.680 -4.287 -3.429 1.00 0.00 C ATOM 1467 C LYS A 96 -10.728 -5.254 -4.605 1.00 0.00 C ATOM 1468 O LYS A 96 -10.239 -6.382 -4.531 1.00 0.00 O ATOM 1469 CB LYS A 96 -11.916 -4.497 -2.538 1.00 0.00 C ATOM 1470 CG LYS A 96 -12.099 -3.461 -1.452 1.00 0.00 C ATOM 1471 CD LYS A 96 -12.793 -4.044 -0.227 1.00 0.00 C ATOM 1472 CE LYS A 96 -14.137 -4.666 -0.575 1.00 0.00 C ATOM 1473 NZ LYS A 96 -15.081 -3.670 -1.146 1.00 0.00 N ATOM 0 H LYS A 96 -11.328 -2.299 -3.735 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.813 -4.472 -2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.805 -4.502 -3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.849 -5.481 -2.074 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -11.127 -3.061 -1.163 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.685 -2.627 -1.840 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.151 -4.798 0.228 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.938 -3.259 0.515 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -13.988 -5.475 -1.290 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.574 -5.108 0.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.992 -3.729 -0.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.686 -2.714 -1.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.227 -3.869 -2.156 1.00 0.00 H new ATOM 1487 N GLN A 97 -11.310 -4.793 -5.704 1.00 0.00 N ATOM 1488 CA GLN A 97 -11.309 -5.555 -6.939 1.00 0.00 C ATOM 1489 C GLN A 97 -9.904 -5.597 -7.525 1.00 0.00 C ATOM 1490 O GLN A 97 -9.503 -6.591 -8.130 1.00 0.00 O ATOM 1491 CB GLN A 97 -12.271 -4.945 -7.964 1.00 0.00 C ATOM 1492 CG GLN A 97 -12.414 -5.800 -9.215 1.00 0.00 C ATOM 1493 CD GLN A 97 -12.871 -5.028 -10.435 1.00 0.00 C ATOM 1494 OE1 GLN A 97 -13.591 -5.560 -11.282 1.00 0.00 O ATOM 1495 NE2 GLN A 97 -12.430 -3.789 -10.563 1.00 0.00 N ATOM 0 H GLN A 97 -11.788 -3.894 -5.762 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.641 -6.567 -6.710 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -13.251 -4.814 -7.504 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.916 -3.954 -8.245 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -11.456 -6.271 -9.433 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -13.125 -6.602 -9.016 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.836 -3.382 -9.841 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.684 -3.240 -11.384 1.00 0.00 H new ATOM 1504 N ALA A 98 -9.150 -4.520 -7.316 1.00 0.00 N ATOM 1505 CA ALA A 98 -7.810 -4.407 -7.859 1.00 0.00 C ATOM 1506 C ALA A 98 -6.903 -5.434 -7.221 1.00 0.00 C ATOM 1507 O ALA A 98 -6.254 -6.210 -7.904 1.00 0.00 O ATOM 1508 CB ALA A 98 -7.260 -3.008 -7.650 1.00 0.00 C ATOM 0 H ALA A 98 -9.452 -3.712 -6.771 1.00 0.00 H new ATOM 0 HA ALA A 98 -7.854 -4.596 -8.932 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.254 -2.947 -8.065 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.904 -2.285 -8.151 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.226 -2.786 -6.583 1.00 0.00 H new ATOM 1514 N ILE A 99 -6.885 -5.450 -5.903 1.00 0.00 N ATOM 1515 CA ILE A 99 -6.046 -6.378 -5.161 1.00 0.00 C ATOM 1516 C ILE A 99 -6.316 -7.813 -5.605 1.00 0.00 C ATOM 1517 O ILE A 99 -5.396 -8.614 -5.738 1.00 0.00 O ATOM 1518 CB ILE A 99 -6.267 -6.284 -3.635 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -6.411 -4.831 -3.176 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -5.110 -6.952 -2.926 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -5.417 -3.896 -3.799 1.00 0.00 C ATOM 0 H ILE A 99 -7.444 -4.828 -5.319 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.014 -6.100 -5.376 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.197 -6.794 -3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.418 -4.484 -3.410 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -6.304 -4.790 -2.092 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.259 -6.890 -1.848 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.056 -7.999 -3.225 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.180 -6.450 -3.193 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.583 -2.886 -3.424 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.407 -4.216 -3.544 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.538 -3.905 -4.882 1.00 0.00 H new ATOM 1533 N ALA A 100 -7.583 -8.114 -5.862 1.00 0.00 N ATOM 1534 CA ALA A 100 -7.977 -9.444 -6.317 1.00 0.00 C ATOM 1535 C ALA A 100 -7.571 -9.670 -7.773 1.00 0.00 C ATOM 1536 O ALA A 100 -7.365 -10.801 -8.205 1.00 0.00 O ATOM 1537 CB ALA A 100 -9.477 -9.634 -6.147 1.00 0.00 C ATOM 0 H ALA A 100 -8.356 -7.456 -5.763 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.457 -10.181 -5.706 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.759 -10.630 -6.490 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.741 -9.524 -5.095 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.008 -8.884 -6.734 1.00 0.00 H new ATOM 1543 N ALA A 101 -7.452 -8.581 -8.521 1.00 0.00 N ATOM 1544 CA ALA A 101 -7.090 -8.638 -9.932 1.00 0.00 C ATOM 1545 C ALA A 101 -5.586 -8.818 -10.115 1.00 0.00 C ATOM 1546 O ALA A 101 -5.140 -9.537 -11.006 1.00 0.00 O ATOM 1547 CB ALA A 101 -7.550 -7.368 -10.642 1.00 0.00 C ATOM 0 H ALA A 101 -7.603 -7.636 -8.169 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.590 -9.502 -10.371 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.275 -7.420 -11.695 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.632 -7.274 -10.554 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.072 -6.502 -10.185 1.00 0.00 H new ATOM 1553 N ASN A 102 -4.811 -8.161 -9.263 1.00 0.00 N ATOM 1554 CA ASN A 102 -3.353 -8.165 -9.384 1.00 0.00 C ATOM 1555 C ASN A 102 -2.742 -9.365 -8.669 1.00 0.00 C ATOM 1556 O ASN A 102 -1.567 -9.688 -8.867 1.00 0.00 O ATOM 1557 CB ASN A 102 -2.766 -6.864 -8.829 1.00 0.00 C ATOM 1558 CG ASN A 102 -3.301 -5.637 -9.542 1.00 0.00 C ATOM 1559 OD1 ASN A 102 -2.832 -5.273 -10.620 1.00 0.00 O ATOM 1560 ND2 ASN A 102 -4.258 -4.973 -8.919 1.00 0.00 N ATOM 0 H ASN A 102 -5.165 -7.616 -8.477 1.00 0.00 H new ATOM 0 HA ASN A 102 -3.107 -8.241 -10.443 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -2.993 -6.791 -7.766 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.680 -6.890 -8.922 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -4.639 -4.121 -9.331 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -4.616 -5.313 -8.026 1.00 0.00 H new ATOM 1567 N ALA A 103 -3.537 -10.014 -7.831 1.00 0.00 N ATOM 1568 CA ALA A 103 -3.089 -11.204 -7.122 1.00 0.00 C ATOM 1569 C ALA A 103 -3.227 -12.440 -8.002 1.00 0.00 C ATOM 1570 O ALA A 103 -4.344 -12.995 -8.080 1.00 0.00 O ATOM 1571 CB ALA A 103 -3.871 -11.378 -5.829 1.00 0.00 C ATOM 1572 OXT ALA A 103 -2.219 -12.855 -8.612 1.00 0.00 O ATOM 0 H ALA A 103 -4.497 -9.736 -7.625 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.035 -11.079 -6.874 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.524 -12.272 -5.311 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.718 -10.507 -5.191 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.932 -11.480 -6.056 1.00 0.00 H new