USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 895 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 71 ASN :FLIP amide:sc= -5.82! C(o=-5.3!,f=-4.5!) USER MOD Set 1.2: A 74 THR OG1 : rot -118:sc= 1.28 USER MOD Set 2.1: A 70 THR OG1 : rot -123:sc= -0.452 USER MOD Set 2.2: A 77 GLN :FLIP amide:sc= 0.515 F(o=-1,f=0.063) USER MOD Set 3.1: A 11 HIS :FLIP no HD1:sc= -2.25 F(o=-6.9,f=-4.8) USER MOD Set 3.2: A 88 ASN : amide:sc= -2.53 K(o=-4.8,f=-7.9!) USER MOD Set 4.1: A 2 GLN :FLIP amide:sc= -1.11 F(o=-9.3!,f=-1.6) USER MOD Set 4.2: A 4 ASN : amide:sc= -0.451 K(o=-1.6,f=-6.5!) USER MOD Single : A 1 GLU N :NH3+ -158:sc= 0.994 (180deg=0.204) USER MOD Single : A 9 THR OG1 : rot 170:sc= -2.11 USER MOD Single : A 10 TYR OH : rot 97:sc= 0.0851 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 143:sc= 1.28 USER MOD Single : A 17 GLN : amide:sc= -0.31 K(o=-0.31,f=-1.4) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.477 F(o=-1.7,f=-0.48) USER MOD Single : A 19 ASN : amide:sc= -0.088 X(o=-0.088,f=-0.47) USER MOD Single : A 28 SER OG : rot 49:sc= 0.168 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -164:sc= -0.0269 (180deg=-0.348) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -80:sc= 0.14 USER MOD Single : A 45 LYS NZ :NH3+ -160:sc= -0.0226 (180deg=-0.397) USER MOD Single : A 46 TYR OH : rot -82:sc= 0.0643 USER MOD Single : A 49 THR OG1 : rot -100:sc= 0.401 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 65 LYS NZ :NH3+ 157:sc= -0.118 (180deg=-0.752) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN :FLIP amide:sc= -0.237 F(o=-0.99,f=-0.24) USER MOD Single : A 97 THR OG1 : rot -159:sc= -1.03! USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 149:sc= 0.723 (180deg=-1.94!) USER MOD Single : A 104 THR OG1 : rot -36:sc= 0.822 USER MOD Single : A 105 ASN : amide:sc= -1.51! C(o=-1.5!,f=-8!) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 GLN : amide:sc= -0.0229 K(o=-0.023,f=-1.2) USER MOD Single : A 113 HIS : no HD1:sc= -0.203 X(o=-0.2,f=-0.03) USER MOD Single : A 115 ASN :FLIP amide:sc= -4.7! C(o=-9.7!,f=-4.7!) USER MOD Single : A 117 ASN : amide:sc= -1.56! C(o=-1.6!,f=-6.3!) USER MOD Single : A 118 TYR OH : rot -33:sc= 0.561 USER MOD Single : A 119 GLN :FLIP amide:sc= -2.01 F(o=-3.2,f=-2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.922 15.497 -0.278 1.00 0.00 N ATOM 2 CA GLU A 1 3.363 15.625 -1.703 1.00 0.00 C ATOM 3 C GLU A 1 4.416 14.593 -2.148 1.00 0.00 C ATOM 4 O GLU A 1 4.154 13.788 -3.029 1.00 0.00 O ATOM 5 CB GLU A 1 3.923 17.064 -1.913 1.00 0.00 C ATOM 6 CG GLU A 1 2.932 18.148 -1.348 1.00 0.00 C ATOM 7 CD GLU A 1 1.461 17.779 -1.593 1.00 0.00 C ATOM 8 OE1 GLU A 1 0.998 17.046 -0.728 1.00 0.00 O ATOM 9 OE2 GLU A 1 0.935 18.231 -2.591 1.00 0.00 O ATOM 0 H1 GLU A 1 1.991 15.945 -0.161 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.856 14.491 -0.024 1.00 0.00 H new ATOM 0 H3 GLU A 1 3.612 15.966 0.342 1.00 0.00 H new ATOM 0 HA GLU A 1 2.487 15.429 -2.321 1.00 0.00 H new ATOM 0 HB2 GLU A 1 4.889 17.157 -1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.092 17.240 -2.975 1.00 0.00 H new ATOM 0 HG2 GLU A 1 3.101 18.268 -0.278 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.145 19.110 -1.814 1.00 0.00 H new ATOM 18 N GLN A 2 5.568 14.646 -1.522 1.00 0.00 N ATOM 19 CA GLN A 2 6.673 13.703 -1.863 1.00 0.00 C ATOM 20 C GLN A 2 7.254 12.971 -0.646 1.00 0.00 C ATOM 21 O GLN A 2 7.611 13.570 0.350 1.00 0.00 O ATOM 22 CB GLN A 2 7.756 14.540 -2.585 1.00 0.00 C ATOM 23 CG GLN A 2 8.964 13.645 -3.039 1.00 0.00 C ATOM 24 CD GLN A 2 10.137 13.764 -2.066 1.00 0.00 C ATOM 25 OE1 GLN A 2 10.164 13.063 -0.982 1.00 0.00 O flip ATOM 26 NE2 GLN A 2 11.063 14.512 -2.275 1.00 0.00 N flip ATOM 0 H GLN A 2 5.789 15.311 -0.781 1.00 0.00 H new ATOM 0 HA GLN A 2 6.286 12.906 -2.499 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.319 15.032 -3.454 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.113 15.326 -1.920 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.645 12.605 -3.103 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.285 13.942 -4.037 1.00 0.00 H new ATOM 0 HE21 GLN A 2 11.077 15.082 -3.121 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.830 14.573 -1.606 1.00 0.00 H new ATOM 35 N ALA A 3 7.334 11.674 -0.799 1.00 0.00 N ATOM 36 CA ALA A 3 7.881 10.790 0.267 1.00 0.00 C ATOM 37 C ALA A 3 9.013 9.998 -0.445 1.00 0.00 C ATOM 38 O ALA A 3 8.770 9.253 -1.380 1.00 0.00 O ATOM 39 CB ALA A 3 6.724 9.874 0.776 1.00 0.00 C ATOM 0 H ALA A 3 7.035 11.182 -1.641 1.00 0.00 H new ATOM 0 HA ALA A 3 8.273 11.309 1.142 1.00 0.00 H new ATOM 0 HB1 ALA A 3 7.099 9.215 1.559 1.00 0.00 H new ATOM 0 HB2 ALA A 3 5.920 10.492 1.176 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.344 9.274 -0.051 1.00 0.00 H new ATOM 45 N ASN A 4 10.222 10.198 0.004 1.00 0.00 N ATOM 46 CA ASN A 4 11.399 9.497 -0.590 1.00 0.00 C ATOM 47 C ASN A 4 12.097 8.705 0.527 1.00 0.00 C ATOM 48 O ASN A 4 11.655 8.738 1.657 1.00 0.00 O ATOM 49 CB ASN A 4 12.288 10.598 -1.247 1.00 0.00 C ATOM 50 CG ASN A 4 12.596 11.760 -0.314 1.00 0.00 C ATOM 51 OD1 ASN A 4 12.134 11.878 0.799 1.00 0.00 O ATOM 52 ND2 ASN A 4 13.381 12.699 -0.720 1.00 0.00 N ATOM 0 H ASN A 4 10.449 10.830 0.772 1.00 0.00 H new ATOM 0 HA ASN A 4 11.140 8.773 -1.362 1.00 0.00 H new ATOM 0 HB2 ASN A 4 13.224 10.149 -1.578 1.00 0.00 H new ATOM 0 HB3 ASN A 4 11.785 10.979 -2.136 1.00 0.00 H new ATOM 0 HD21 ASN A 4 13.585 13.492 -0.111 1.00 0.00 H new ATOM 0 HD22 ASN A 4 13.798 12.649 -1.650 1.00 0.00 H new ATOM 59 N ASP A 5 13.157 8.014 0.192 1.00 0.00 N ATOM 60 CA ASP A 5 13.941 7.183 1.162 1.00 0.00 C ATOM 61 C ASP A 5 12.958 6.460 2.143 1.00 0.00 C ATOM 62 O ASP A 5 13.099 6.427 3.347 1.00 0.00 O ATOM 63 CB ASP A 5 14.920 8.189 1.831 1.00 0.00 C ATOM 64 CG ASP A 5 15.999 7.496 2.673 1.00 0.00 C ATOM 65 OD1 ASP A 5 16.895 6.967 2.037 1.00 0.00 O ATOM 66 OD2 ASP A 5 15.891 7.531 3.889 1.00 0.00 O ATOM 0 H ASP A 5 13.528 7.991 -0.758 1.00 0.00 H new ATOM 0 HA ASP A 5 14.513 6.371 0.713 1.00 0.00 H new ATOM 0 HB2 ASP A 5 15.399 8.791 1.059 1.00 0.00 H new ATOM 0 HB3 ASP A 5 14.355 8.873 2.464 1.00 0.00 H new ATOM 71 N VAL A 6 11.950 5.864 1.537 1.00 0.00 N ATOM 72 CA VAL A 6 10.921 5.129 2.346 1.00 0.00 C ATOM 73 C VAL A 6 11.260 3.625 2.303 1.00 0.00 C ATOM 74 O VAL A 6 11.154 2.981 1.267 1.00 0.00 O ATOM 75 CB VAL A 6 9.496 5.383 1.745 1.00 0.00 C ATOM 76 CG1 VAL A 6 8.416 4.908 2.741 1.00 0.00 C ATOM 77 CG2 VAL A 6 9.250 6.880 1.478 1.00 0.00 C ATOM 0 H VAL A 6 11.798 5.856 0.528 1.00 0.00 H new ATOM 0 HA VAL A 6 10.925 5.480 3.378 1.00 0.00 H new ATOM 0 HB VAL A 6 9.441 4.832 0.806 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.427 5.087 2.318 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.541 3.842 2.933 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.516 5.459 3.676 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.252 7.016 1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.332 7.435 2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.992 7.250 0.770 1.00 0.00 H new ATOM 87 N ARG A 7 11.683 3.123 3.439 1.00 0.00 N ATOM 88 CA ARG A 7 12.062 1.673 3.599 1.00 0.00 C ATOM 89 C ARG A 7 10.798 0.820 3.334 1.00 0.00 C ATOM 90 O ARG A 7 10.137 0.331 4.229 1.00 0.00 O ATOM 91 CB ARG A 7 12.600 1.461 5.051 1.00 0.00 C ATOM 92 CG ARG A 7 13.713 2.501 5.409 1.00 0.00 C ATOM 93 CD ARG A 7 14.334 2.104 6.769 1.00 0.00 C ATOM 94 NE ARG A 7 15.244 3.221 7.214 1.00 0.00 N ATOM 95 CZ ARG A 7 16.142 3.060 8.109 1.00 0.00 C ATOM 96 NH1 ARG A 7 17.289 2.657 7.751 1.00 0.00 N ATOM 97 NH2 ARG A 7 15.808 3.325 9.304 1.00 0.00 N ATOM 0 H ARG A 7 11.786 3.673 4.292 1.00 0.00 H new ATOM 0 HA ARG A 7 12.842 1.377 2.897 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.778 1.548 5.761 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.999 0.451 5.148 1.00 0.00 H new ATOM 0 HG2 ARG A 7 14.479 2.519 4.633 1.00 0.00 H new ATOM 0 HG3 ARG A 7 13.291 3.504 5.463 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.552 1.933 7.509 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.893 1.173 6.675 1.00 0.00 H new ATOM 0 HE ARG A 7 15.139 4.140 6.784 1.00 0.00 H new ATOM 0 HH11 ARG A 7 17.479 2.469 6.767 1.00 0.00 H new ATOM 0 HH12 ARG A 7 18.022 2.521 8.447 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.863 3.649 9.510 1.00 0.00 H new ATOM 0 HH22 ARG A 7 16.485 3.214 10.059 1.00 0.00 H new ATOM 111 N ALA A 8 10.501 0.675 2.079 1.00 0.00 N ATOM 112 CA ALA A 8 9.312 -0.101 1.650 1.00 0.00 C ATOM 113 C ALA A 8 9.522 -1.625 1.549 1.00 0.00 C ATOM 114 O ALA A 8 10.309 -2.160 0.788 1.00 0.00 O ATOM 115 CB ALA A 8 8.894 0.495 0.307 1.00 0.00 C ATOM 0 H ALA A 8 11.046 1.072 1.314 1.00 0.00 H new ATOM 0 HA ALA A 8 8.539 -0.013 2.413 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.018 -0.033 -0.069 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.654 1.550 0.436 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.712 0.394 -0.406 1.00 0.00 H new ATOM 121 N THR A 9 8.768 -2.309 2.369 1.00 0.00 N ATOM 122 CA THR A 9 8.836 -3.801 2.392 1.00 0.00 C ATOM 123 C THR A 9 7.698 -4.148 1.415 1.00 0.00 C ATOM 124 O THR A 9 7.639 -3.584 0.337 1.00 0.00 O ATOM 125 CB THR A 9 8.563 -4.335 3.861 1.00 0.00 C ATOM 126 OG1 THR A 9 7.202 -4.066 4.127 1.00 0.00 O ATOM 127 CG2 THR A 9 9.221 -3.475 4.968 1.00 0.00 C ATOM 0 H THR A 9 8.105 -1.897 3.026 1.00 0.00 H new ATOM 0 HA THR A 9 9.795 -4.239 2.116 1.00 0.00 H new ATOM 0 HB THR A 9 8.913 -5.367 3.883 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.935 -4.517 4.955 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.991 -3.901 5.945 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.301 -3.461 4.824 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.835 -2.457 4.916 1.00 0.00 H new ATOM 135 N TYR A 10 6.807 -5.029 1.730 1.00 0.00 N ATOM 136 CA TYR A 10 5.717 -5.323 0.742 1.00 0.00 C ATOM 137 C TYR A 10 4.461 -5.975 1.316 1.00 0.00 C ATOM 138 O TYR A 10 4.299 -7.173 1.187 1.00 0.00 O ATOM 139 CB TYR A 10 6.322 -6.201 -0.422 1.00 0.00 C ATOM 140 CG TYR A 10 7.412 -7.179 0.024 1.00 0.00 C ATOM 141 CD1 TYR A 10 7.368 -7.798 1.254 1.00 0.00 C ATOM 142 CD2 TYR A 10 8.468 -7.452 -0.824 1.00 0.00 C ATOM 143 CE1 TYR A 10 8.368 -8.669 1.620 1.00 0.00 C ATOM 144 CE2 TYR A 10 9.458 -8.320 -0.459 1.00 0.00 C ATOM 145 CZ TYR A 10 9.404 -8.925 0.769 1.00 0.00 C ATOM 146 OH TYR A 10 10.372 -9.789 1.196 1.00 0.00 O ATOM 0 H TYR A 10 6.773 -5.555 2.604 1.00 0.00 H new ATOM 0 HA TYR A 10 5.365 -4.358 0.378 1.00 0.00 H new ATOM 0 HB2 TYR A 10 5.516 -6.764 -0.892 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.734 -5.539 -1.183 1.00 0.00 H new ATOM 0 HD1 TYR A 10 6.549 -7.600 1.930 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.512 -6.972 -1.790 1.00 0.00 H new ATOM 0 HE1 TYR A 10 8.333 -9.152 2.585 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.276 -8.527 -1.133 1.00 0.00 H new ATOM 0 HH TYR A 10 10.194 -10.683 0.836 1.00 0.00 H new ATOM 156 N HIS A 11 3.559 -5.236 1.937 1.00 0.00 N ATOM 157 CA HIS A 11 2.355 -5.949 2.463 1.00 0.00 C ATOM 158 C HIS A 11 1.449 -5.890 1.227 1.00 0.00 C ATOM 159 O HIS A 11 0.447 -5.201 1.200 1.00 0.00 O ATOM 160 CB HIS A 11 1.717 -5.177 3.645 1.00 0.00 C ATOM 161 CG HIS A 11 0.665 -6.077 4.291 1.00 0.00 C ATOM 162 ND1 HIS A 11 -0.701 -6.119 4.100 1.00 0.00 N flip ATOM 163 CD2 HIS A 11 0.900 -6.999 5.168 1.00 0.00 C flip ATOM 164 CE1 HIS A 11 -1.235 -7.053 4.859 1.00 0.00 C flip ATOM 165 NE2 HIS A 11 -0.216 -7.571 5.501 1.00 0.00 N flip ATOM 0 H HIS A 11 3.602 -4.229 2.093 1.00 0.00 H new ATOM 0 HA HIS A 11 2.549 -6.948 2.852 1.00 0.00 H new ATOM 0 HB2 HIS A 11 2.479 -4.900 4.373 1.00 0.00 H new ATOM 0 HB3 HIS A 11 1.261 -4.252 3.293 1.00 0.00 H new ATOM 0 HD2 HIS A 11 1.873 -7.253 5.561 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -2.276 -7.330 4.935 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -0.291 -8.330 6.178 1.00 0.00 H new ATOM 173 N TYR A 12 1.887 -6.640 0.238 1.00 0.00 N ATOM 174 CA TYR A 12 1.180 -6.739 -1.058 1.00 0.00 C ATOM 175 C TYR A 12 0.026 -7.710 -0.954 1.00 0.00 C ATOM 176 O TYR A 12 0.156 -8.908 -1.134 1.00 0.00 O ATOM 177 CB TYR A 12 2.153 -7.213 -2.210 1.00 0.00 C ATOM 178 CG TYR A 12 3.240 -8.223 -1.813 1.00 0.00 C ATOM 179 CD1 TYR A 12 3.099 -9.096 -0.751 1.00 0.00 C ATOM 180 CD2 TYR A 12 4.408 -8.242 -2.551 1.00 0.00 C ATOM 181 CE1 TYR A 12 4.111 -9.969 -0.432 1.00 0.00 C ATOM 182 CE2 TYR A 12 5.422 -9.124 -2.225 1.00 0.00 C ATOM 183 CZ TYR A 12 5.263 -9.981 -1.163 1.00 0.00 C ATOM 184 OH TYR A 12 6.261 -10.851 -0.813 1.00 0.00 O ATOM 0 H TYR A 12 2.737 -7.202 0.291 1.00 0.00 H new ATOM 0 HA TYR A 12 0.805 -5.745 -1.303 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.552 -7.653 -3.006 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.641 -6.333 -2.629 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.189 -9.092 -0.169 1.00 0.00 H new ATOM 0 HD2 TYR A 12 4.529 -7.566 -3.385 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.994 -10.648 0.400 1.00 0.00 H new ATOM 0 HE2 TYR A 12 6.335 -9.139 -2.802 1.00 0.00 H new ATOM 0 HH TYR A 12 7.018 -10.744 -1.426 1.00 0.00 H new ATOM 194 N TYR A 13 -1.100 -7.133 -0.630 1.00 0.00 N ATOM 195 CA TYR A 13 -2.339 -7.930 -0.494 1.00 0.00 C ATOM 196 C TYR A 13 -2.429 -8.619 -1.872 1.00 0.00 C ATOM 197 O TYR A 13 -2.160 -7.945 -2.873 1.00 0.00 O ATOM 198 CB TYR A 13 -3.514 -6.968 -0.242 1.00 0.00 C ATOM 199 CG TYR A 13 -4.472 -7.591 0.769 1.00 0.00 C ATOM 200 CD1 TYR A 13 -4.039 -7.783 2.064 1.00 0.00 C ATOM 201 CD2 TYR A 13 -5.755 -7.960 0.420 1.00 0.00 C ATOM 202 CE1 TYR A 13 -4.883 -8.338 2.999 1.00 0.00 C ATOM 203 CE2 TYR A 13 -6.596 -8.516 1.362 1.00 0.00 C ATOM 204 CZ TYR A 13 -6.162 -8.709 2.657 1.00 0.00 C ATOM 205 OH TYR A 13 -6.973 -9.270 3.616 1.00 0.00 O ATOM 0 H TYR A 13 -1.209 -6.134 -0.453 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.355 -8.647 0.327 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.143 -6.014 0.132 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.037 -6.763 -1.176 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.036 -7.497 2.345 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.102 -7.813 -0.592 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.537 -8.484 4.012 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -7.600 -8.802 1.084 1.00 0.00 H new ATOM 0 HH TYR A 13 -7.892 -8.954 3.492 1.00 0.00 H new ATOM 215 N ARG A 14 -2.785 -9.886 -1.756 1.00 0.00 N ATOM 216 CA ARG A 14 -2.981 -10.932 -2.835 1.00 0.00 C ATOM 217 C ARG A 14 -4.126 -10.642 -3.841 1.00 0.00 C ATOM 218 O ARG A 14 -5.265 -10.609 -3.417 1.00 0.00 O ATOM 219 CB ARG A 14 -3.293 -12.337 -2.180 1.00 0.00 C ATOM 220 CG ARG A 14 -2.409 -12.746 -0.957 1.00 0.00 C ATOM 221 CD ARG A 14 -2.896 -12.106 0.377 1.00 0.00 C ATOM 222 NE ARG A 14 -3.076 -13.218 1.384 1.00 0.00 N ATOM 223 CZ ARG A 14 -4.047 -13.240 2.211 1.00 0.00 C ATOM 224 NH1 ARG A 14 -5.131 -13.788 1.843 1.00 0.00 N ATOM 225 NH2 ARG A 14 -3.860 -12.719 3.355 1.00 0.00 N ATOM 0 H ARG A 14 -2.970 -10.280 -0.834 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.043 -10.919 -3.391 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -4.336 -12.343 -1.864 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -3.188 -13.103 -2.948 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.413 -13.831 -0.857 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.377 -12.447 -1.143 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.170 -11.377 0.738 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.834 -11.573 0.225 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.397 -13.979 1.403 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -5.206 -14.194 0.910 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -5.927 -13.823 2.480 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.958 -12.303 3.584 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.612 -12.717 4.044 1.00 0.00 H new ATOM 239 N PRO A 15 -3.845 -10.443 -5.106 1.00 0.00 N ATOM 240 CA PRO A 15 -4.831 -9.844 -6.039 1.00 0.00 C ATOM 241 C PRO A 15 -5.862 -10.770 -6.737 1.00 0.00 C ATOM 242 O PRO A 15 -6.817 -11.267 -6.162 1.00 0.00 O ATOM 243 CB PRO A 15 -3.907 -9.130 -6.993 1.00 0.00 C ATOM 244 CG PRO A 15 -2.776 -10.181 -7.201 1.00 0.00 C ATOM 245 CD PRO A 15 -2.540 -10.731 -5.777 1.00 0.00 C ATOM 0 HA PRO A 15 -5.552 -9.224 -5.505 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.405 -8.876 -7.929 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.526 -8.200 -6.572 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.079 -10.968 -7.892 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.874 -9.727 -7.612 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.313 -11.797 -5.785 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.708 -10.232 -5.280 1.00 0.00 H new ATOM 253 N ALA A 16 -5.614 -10.963 -8.005 1.00 0.00 N ATOM 254 CA ALA A 16 -6.465 -11.805 -8.873 1.00 0.00 C ATOM 255 C ALA A 16 -6.763 -13.232 -8.344 1.00 0.00 C ATOM 256 O ALA A 16 -7.518 -13.950 -8.963 1.00 0.00 O ATOM 257 CB ALA A 16 -5.752 -11.759 -10.245 1.00 0.00 C ATOM 0 H ALA A 16 -4.817 -10.548 -8.488 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.483 -11.418 -8.923 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.309 -12.358 -10.965 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.700 -10.728 -10.594 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.743 -12.159 -10.144 1.00 0.00 H new ATOM 263 N GLN A 17 -6.183 -13.614 -7.230 1.00 0.00 N ATOM 264 CA GLN A 17 -6.418 -14.980 -6.615 1.00 0.00 C ATOM 265 C GLN A 17 -7.960 -15.135 -6.501 1.00 0.00 C ATOM 266 O GLN A 17 -8.534 -16.143 -6.856 1.00 0.00 O ATOM 267 CB GLN A 17 -5.742 -15.017 -5.213 1.00 0.00 C ATOM 268 CG GLN A 17 -4.819 -16.267 -5.067 1.00 0.00 C ATOM 269 CD GLN A 17 -3.638 -16.157 -6.012 1.00 0.00 C ATOM 270 OE1 GLN A 17 -3.695 -16.463 -7.180 1.00 0.00 O ATOM 271 NE2 GLN A 17 -2.524 -15.708 -5.556 1.00 0.00 N ATOM 0 H GLN A 17 -5.538 -13.027 -6.701 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.997 -15.792 -7.208 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.157 -14.110 -5.064 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.507 -15.034 -4.437 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.466 -16.350 -4.039 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.384 -17.173 -5.283 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.445 -15.441 -4.575 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -1.719 -15.618 -6.175 1.00 0.00 H new ATOM 280 N ASN A 18 -8.567 -14.092 -5.985 1.00 0.00 N ATOM 281 CA ASN A 18 -10.055 -13.997 -5.793 1.00 0.00 C ATOM 282 C ASN A 18 -10.418 -12.883 -6.807 1.00 0.00 C ATOM 283 O ASN A 18 -11.229 -12.025 -6.524 1.00 0.00 O ATOM 284 CB ASN A 18 -10.362 -13.514 -4.367 1.00 0.00 C ATOM 285 CG ASN A 18 -11.872 -13.565 -4.060 1.00 0.00 C ATOM 286 OD1 ASN A 18 -12.598 -12.513 -4.219 1.00 0.00 O flip ATOM 287 ND2 ASN A 18 -12.439 -14.561 -3.668 1.00 0.00 N flip ATOM 0 H ASN A 18 -8.066 -13.260 -5.673 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.592 -14.935 -5.934 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -9.824 -14.133 -3.649 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.000 -12.494 -4.243 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.914 -15.424 -3.524 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -13.442 -14.537 -3.482 1.00 0.00 H new ATOM 294 N ASN A 19 -9.787 -12.942 -7.962 1.00 0.00 N ATOM 295 CA ASN A 19 -9.979 -11.949 -9.079 1.00 0.00 C ATOM 296 C ASN A 19 -10.119 -10.561 -8.386 1.00 0.00 C ATOM 297 O ASN A 19 -10.956 -9.743 -8.715 1.00 0.00 O ATOM 298 CB ASN A 19 -11.236 -12.454 -9.813 1.00 0.00 C ATOM 299 CG ASN A 19 -11.298 -11.866 -11.200 1.00 0.00 C ATOM 300 OD1 ASN A 19 -10.356 -11.910 -11.958 1.00 0.00 O ATOM 301 ND2 ASN A 19 -12.386 -11.299 -11.598 1.00 0.00 N ATOM 0 H ASN A 19 -9.114 -13.675 -8.186 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.177 -11.850 -9.810 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -11.220 -13.542 -9.871 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -12.129 -12.178 -9.252 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -12.440 -10.899 -12.535 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -13.193 -11.250 -10.976 1.00 0.00 H new ATOM 308 N TRP A 20 -9.227 -10.412 -7.426 1.00 0.00 N ATOM 309 CA TRP A 20 -9.076 -9.234 -6.534 1.00 0.00 C ATOM 310 C TRP A 20 -10.398 -8.500 -6.271 1.00 0.00 C ATOM 311 O TRP A 20 -10.500 -7.287 -6.265 1.00 0.00 O ATOM 312 CB TRP A 20 -7.997 -8.236 -7.072 1.00 0.00 C ATOM 313 CG TRP A 20 -7.903 -7.758 -8.531 1.00 0.00 C ATOM 314 CD1 TRP A 20 -8.828 -7.778 -9.518 1.00 0.00 C ATOM 315 CD2 TRP A 20 -6.758 -7.214 -9.011 1.00 0.00 C ATOM 316 NE1 TRP A 20 -8.170 -7.248 -10.544 1.00 0.00 N ATOM 317 CE2 TRP A 20 -6.915 -6.878 -10.322 1.00 0.00 C ATOM 318 CE3 TRP A 20 -5.547 -6.946 -8.389 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -5.860 -6.291 -10.987 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -4.513 -6.355 -9.081 1.00 0.00 C ATOM 321 CH2 TRP A 20 -4.670 -6.028 -10.385 1.00 0.00 C ATOM 0 H TRP A 20 -8.541 -11.139 -7.220 1.00 0.00 H new ATOM 0 HA TRP A 20 -8.738 -9.633 -5.578 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -8.089 -7.336 -6.465 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -7.030 -8.681 -6.837 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -9.847 -8.135 -9.481 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.608 -7.131 -11.458 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.413 -7.204 -7.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -5.984 -6.030 -12.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.576 -6.152 -8.583 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.865 -5.567 -10.937 1.00 0.00 H new ATOM 332 N ASP A 21 -11.424 -9.278 -6.045 1.00 0.00 N ATOM 333 CA ASP A 21 -12.732 -8.653 -5.779 1.00 0.00 C ATOM 334 C ASP A 21 -12.713 -7.911 -4.415 1.00 0.00 C ATOM 335 O ASP A 21 -12.851 -8.429 -3.318 1.00 0.00 O ATOM 336 CB ASP A 21 -13.831 -9.772 -5.837 1.00 0.00 C ATOM 337 CG ASP A 21 -15.231 -9.196 -5.576 1.00 0.00 C ATOM 338 OD1 ASP A 21 -15.311 -7.980 -5.468 1.00 0.00 O ATOM 339 OD2 ASP A 21 -16.134 -10.010 -5.501 1.00 0.00 O ATOM 0 H ASP A 21 -11.406 -10.298 -6.035 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.960 -7.900 -6.534 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.811 -10.254 -6.814 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.609 -10.541 -5.098 1.00 0.00 H new ATOM 344 N LEU A 22 -12.518 -6.629 -4.604 1.00 0.00 N ATOM 345 CA LEU A 22 -12.454 -5.630 -3.510 1.00 0.00 C ATOM 346 C LEU A 22 -13.759 -5.613 -2.712 1.00 0.00 C ATOM 347 O LEU A 22 -13.801 -4.937 -1.701 1.00 0.00 O ATOM 348 CB LEU A 22 -12.231 -4.218 -4.075 1.00 0.00 C ATOM 349 CG LEU A 22 -10.989 -4.043 -4.978 1.00 0.00 C ATOM 350 CD1 LEU A 22 -10.852 -2.504 -5.165 1.00 0.00 C ATOM 351 CD2 LEU A 22 -9.717 -4.542 -4.276 1.00 0.00 C ATOM 0 H LEU A 22 -12.395 -6.221 -5.531 1.00 0.00 H new ATOM 0 HA LEU A 22 -11.623 -5.913 -2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.115 -3.932 -4.645 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.151 -3.522 -3.240 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.103 -4.599 -5.908 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.990 -2.290 -5.797 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.754 -2.113 -5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.716 -2.030 -4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.860 -4.406 -4.936 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.562 -3.975 -3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.825 -5.600 -4.035 1.00 0.00 H new ATOM 363 N GLY A 23 -14.743 -6.330 -3.209 1.00 0.00 N ATOM 364 CA GLY A 23 -16.086 -6.442 -2.554 1.00 0.00 C ATOM 365 C GLY A 23 -16.068 -7.622 -1.571 1.00 0.00 C ATOM 366 O GLY A 23 -16.936 -7.731 -0.726 1.00 0.00 O ATOM 0 H GLY A 23 -14.664 -6.862 -4.076 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.326 -5.518 -2.028 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.860 -6.591 -3.307 1.00 0.00 H new ATOM 370 N ALA A 24 -15.087 -8.478 -1.686 1.00 0.00 N ATOM 371 CA ALA A 24 -14.974 -9.659 -0.776 1.00 0.00 C ATOM 372 C ALA A 24 -14.617 -9.189 0.679 1.00 0.00 C ATOM 373 O ALA A 24 -13.790 -8.310 0.877 1.00 0.00 O ATOM 374 CB ALA A 24 -13.874 -10.600 -1.375 1.00 0.00 C ATOM 0 H ALA A 24 -14.346 -8.408 -2.384 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.918 -10.199 -0.705 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.760 -11.477 -0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.170 -10.914 -2.376 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.926 -10.064 -1.428 1.00 0.00 H new ATOM 380 N PRO A 25 -15.255 -9.799 1.662 1.00 0.00 N ATOM 381 CA PRO A 25 -15.215 -9.334 3.079 1.00 0.00 C ATOM 382 C PRO A 25 -13.812 -8.902 3.551 1.00 0.00 C ATOM 383 O PRO A 25 -13.577 -7.766 3.886 1.00 0.00 O ATOM 384 CB PRO A 25 -15.768 -10.514 3.916 1.00 0.00 C ATOM 385 CG PRO A 25 -16.116 -11.654 2.911 1.00 0.00 C ATOM 386 CD PRO A 25 -16.093 -11.029 1.503 1.00 0.00 C ATOM 0 HA PRO A 25 -15.814 -8.431 3.197 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -15.030 -10.852 4.643 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -16.652 -10.210 4.477 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -15.394 -12.468 2.985 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -17.096 -12.077 3.130 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -15.663 -11.712 0.771 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.098 -10.785 1.159 1.00 0.00 H new ATOM 394 N ALA A 26 -12.928 -9.858 3.541 1.00 0.00 N ATOM 395 CA ALA A 26 -11.499 -9.686 3.959 1.00 0.00 C ATOM 396 C ALA A 26 -10.710 -8.596 3.200 1.00 0.00 C ATOM 397 O ALA A 26 -9.545 -8.380 3.473 1.00 0.00 O ATOM 398 CB ALA A 26 -10.827 -11.058 3.781 1.00 0.00 C ATOM 0 H ALA A 26 -13.148 -10.808 3.243 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.492 -9.335 4.991 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.779 -10.990 4.072 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.331 -11.794 4.407 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.894 -11.363 2.737 1.00 0.00 H new ATOM 404 N VAL A 27 -11.358 -7.956 2.273 1.00 0.00 N ATOM 405 CA VAL A 27 -10.696 -6.887 1.477 1.00 0.00 C ATOM 406 C VAL A 27 -11.415 -5.577 1.729 1.00 0.00 C ATOM 407 O VAL A 27 -10.895 -4.615 2.261 1.00 0.00 O ATOM 408 CB VAL A 27 -10.798 -7.255 -0.005 1.00 0.00 C ATOM 409 CG1 VAL A 27 -9.811 -6.410 -0.773 1.00 0.00 C ATOM 410 CG2 VAL A 27 -10.466 -8.738 -0.236 1.00 0.00 C ATOM 0 H VAL A 27 -12.333 -8.130 2.028 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.648 -6.787 1.761 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.819 -7.076 -0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.868 -6.657 -1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.049 -5.355 -0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.803 -6.606 -0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.547 -8.968 -1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.450 -8.940 0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.165 -9.359 0.324 1.00 0.00 H new ATOM 420 N SER A 28 -12.650 -5.669 1.307 1.00 0.00 N ATOM 421 CA SER A 28 -13.633 -4.561 1.381 1.00 0.00 C ATOM 422 C SER A 28 -12.929 -3.191 1.276 1.00 0.00 C ATOM 423 O SER A 28 -12.731 -2.507 2.262 1.00 0.00 O ATOM 424 CB SER A 28 -14.401 -4.727 2.724 1.00 0.00 C ATOM 425 OG SER A 28 -13.388 -4.750 3.725 1.00 0.00 O ATOM 0 H SER A 28 -13.030 -6.520 0.892 1.00 0.00 H new ATOM 0 HA SER A 28 -14.333 -4.599 0.546 1.00 0.00 H new ATOM 0 HB2 SER A 28 -15.097 -3.904 2.885 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.987 -5.646 2.733 1.00 0.00 H new ATOM 0 HG SER A 28 -12.774 -3.999 3.587 1.00 0.00 H new ATOM 431 N ALA A 29 -12.576 -2.808 0.076 1.00 0.00 N ATOM 432 CA ALA A 29 -11.862 -1.483 -0.105 1.00 0.00 C ATOM 433 C ALA A 29 -12.727 -0.217 -0.327 1.00 0.00 C ATOM 434 O ALA A 29 -13.825 -0.275 -0.845 1.00 0.00 O ATOM 435 CB ALA A 29 -10.899 -1.665 -1.292 1.00 0.00 C ATOM 0 H ALA A 29 -12.742 -3.337 -0.780 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.378 -1.273 0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.357 -0.736 -1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.190 -2.462 -1.067 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.467 -1.926 -2.185 1.00 0.00 H new ATOM 441 N TYR A 30 -12.179 0.909 0.081 1.00 0.00 N ATOM 442 CA TYR A 30 -12.879 2.244 -0.059 1.00 0.00 C ATOM 443 C TYR A 30 -13.844 2.449 -1.228 1.00 0.00 C ATOM 444 O TYR A 30 -15.036 2.581 -1.021 1.00 0.00 O ATOM 445 CB TYR A 30 -11.822 3.406 -0.114 1.00 0.00 C ATOM 446 CG TYR A 30 -12.048 4.387 1.050 1.00 0.00 C ATOM 447 CD1 TYR A 30 -13.304 4.956 1.181 1.00 0.00 C ATOM 448 CD2 TYR A 30 -11.063 4.741 1.946 1.00 0.00 C ATOM 449 CE1 TYR A 30 -13.572 5.862 2.187 1.00 0.00 C ATOM 450 CE2 TYR A 30 -11.336 5.651 2.955 1.00 0.00 C ATOM 451 CZ TYR A 30 -12.587 6.213 3.079 1.00 0.00 C ATOM 452 OH TYR A 30 -12.856 7.113 4.085 1.00 0.00 O ATOM 0 H TYR A 30 -11.257 0.965 0.515 1.00 0.00 H new ATOM 0 HA TYR A 30 -13.512 2.255 0.828 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.814 2.993 -0.061 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.901 3.934 -1.064 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -14.085 4.687 0.486 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.077 4.309 1.862 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -14.557 6.296 2.273 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.558 5.923 3.653 1.00 0.00 H new ATOM 0 HH TYR A 30 -12.051 7.249 4.627 1.00 0.00 H new ATOM 462 N CYS A 31 -13.318 2.471 -2.419 1.00 0.00 N ATOM 463 CA CYS A 31 -14.212 2.675 -3.591 1.00 0.00 C ATOM 464 C CYS A 31 -14.768 1.348 -4.103 1.00 0.00 C ATOM 465 O CYS A 31 -15.353 1.346 -5.157 1.00 0.00 O ATOM 466 CB CYS A 31 -13.423 3.394 -4.750 1.00 0.00 C ATOM 467 SG CYS A 31 -13.318 5.202 -4.808 1.00 0.00 S ATOM 0 H CYS A 31 -12.326 2.359 -2.631 1.00 0.00 H new ATOM 0 HA CYS A 31 -15.047 3.298 -3.270 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.402 3.013 -4.728 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.865 3.067 -5.691 1.00 0.00 H new ATOM 472 N ALA A 32 -14.628 0.238 -3.414 1.00 0.00 N ATOM 473 CA ALA A 32 -15.187 -1.044 -3.968 1.00 0.00 C ATOM 474 C ALA A 32 -16.608 -0.801 -4.563 1.00 0.00 C ATOM 475 O ALA A 32 -16.854 -1.080 -5.717 1.00 0.00 O ATOM 476 CB ALA A 32 -15.200 -2.072 -2.815 1.00 0.00 C ATOM 0 H ALA A 32 -14.161 0.161 -2.510 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.576 -1.426 -4.786 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -15.600 -3.019 -3.177 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.184 -2.223 -2.450 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.825 -1.700 -2.003 1.00 0.00 H new ATOM 482 N THR A 33 -17.467 -0.272 -3.739 1.00 0.00 N ATOM 483 CA THR A 33 -18.896 0.053 -4.103 1.00 0.00 C ATOM 484 C THR A 33 -19.091 0.975 -5.336 1.00 0.00 C ATOM 485 O THR A 33 -20.157 1.006 -5.921 1.00 0.00 O ATOM 486 CB THR A 33 -19.548 0.700 -2.859 1.00 0.00 C ATOM 487 OG1 THR A 33 -19.579 -0.360 -1.915 1.00 0.00 O ATOM 488 CG2 THR A 33 -21.026 0.998 -3.017 1.00 0.00 C ATOM 0 H THR A 33 -17.233 -0.036 -2.775 1.00 0.00 H new ATOM 0 HA THR A 33 -19.366 -0.885 -4.398 1.00 0.00 H new ATOM 0 HB THR A 33 -19.004 1.616 -2.628 1.00 0.00 H new ATOM 0 HG1 THR A 33 -19.980 -0.042 -1.079 1.00 0.00 H new ATOM 0 HG21 THR A 33 -21.406 1.450 -2.101 1.00 0.00 H new ATOM 0 HG22 THR A 33 -21.171 1.687 -3.849 1.00 0.00 H new ATOM 0 HG23 THR A 33 -21.565 0.071 -3.215 1.00 0.00 H new ATOM 496 N TRP A 34 -18.057 1.689 -5.697 1.00 0.00 N ATOM 497 CA TRP A 34 -18.066 2.647 -6.860 1.00 0.00 C ATOM 498 C TRP A 34 -17.124 2.259 -8.040 1.00 0.00 C ATOM 499 O TRP A 34 -17.447 2.470 -9.193 1.00 0.00 O ATOM 500 CB TRP A 34 -17.746 4.024 -6.180 1.00 0.00 C ATOM 501 CG TRP A 34 -18.983 4.432 -5.351 1.00 0.00 C ATOM 502 CD1 TRP A 34 -20.265 4.482 -5.822 1.00 0.00 C ATOM 503 CD2 TRP A 34 -18.986 4.786 -4.050 1.00 0.00 C ATOM 504 NE1 TRP A 34 -20.952 4.862 -4.761 1.00 0.00 N ATOM 505 CE2 TRP A 34 -20.270 5.070 -3.647 1.00 0.00 C ATOM 506 CE3 TRP A 34 -17.943 4.889 -3.157 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -20.516 5.453 -2.347 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -18.180 5.275 -1.846 1.00 0.00 C ATOM 509 CH2 TRP A 34 -19.476 5.556 -1.444 1.00 0.00 C ATOM 0 H TRP A 34 -17.160 1.649 -5.212 1.00 0.00 H new ATOM 0 HA TRP A 34 -19.021 2.655 -7.386 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -16.867 3.941 -5.541 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -17.523 4.780 -6.932 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -20.626 4.264 -6.816 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -21.963 4.990 -4.798 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -16.936 4.668 -3.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -21.525 5.673 -2.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -17.362 5.356 -1.145 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -19.673 5.855 -0.425 1.00 0.00 H new ATOM 520 N ASP A 35 -15.988 1.700 -7.745 1.00 0.00 N ATOM 521 CA ASP A 35 -14.971 1.256 -8.739 1.00 0.00 C ATOM 522 C ASP A 35 -15.022 -0.255 -9.007 1.00 0.00 C ATOM 523 O ASP A 35 -14.806 -0.647 -10.139 1.00 0.00 O ATOM 524 CB ASP A 35 -13.564 1.623 -8.229 1.00 0.00 C ATOM 525 CG ASP A 35 -13.217 3.044 -8.641 1.00 0.00 C ATOM 526 OD1 ASP A 35 -13.726 3.937 -7.999 1.00 0.00 O ATOM 527 OD2 ASP A 35 -12.464 3.132 -9.597 1.00 0.00 O ATOM 0 H ASP A 35 -15.704 1.520 -6.782 1.00 0.00 H new ATOM 0 HA ASP A 35 -15.195 1.766 -9.676 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.526 1.531 -7.144 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.828 0.928 -8.634 1.00 0.00 H new ATOM 532 N ALA A 36 -15.289 -1.095 -8.029 1.00 0.00 N ATOM 533 CA ALA A 36 -15.330 -2.572 -8.329 1.00 0.00 C ATOM 534 C ALA A 36 -16.188 -2.868 -9.573 1.00 0.00 C ATOM 535 O ALA A 36 -15.871 -3.764 -10.332 1.00 0.00 O ATOM 536 CB ALA A 36 -15.916 -3.340 -7.140 1.00 0.00 C ATOM 0 H ALA A 36 -15.476 -0.834 -7.061 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.305 -2.893 -8.517 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.940 -4.405 -7.371 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.297 -3.173 -6.258 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.929 -2.989 -6.944 1.00 0.00 H new ATOM 542 N SER A 37 -17.227 -2.075 -9.694 1.00 0.00 N ATOM 543 CA SER A 37 -18.242 -2.131 -10.812 1.00 0.00 C ATOM 544 C SER A 37 -17.733 -1.597 -12.168 1.00 0.00 C ATOM 545 O SER A 37 -18.467 -1.535 -13.136 1.00 0.00 O ATOM 546 CB SER A 37 -19.470 -1.311 -10.405 1.00 0.00 C ATOM 547 OG SER A 37 -18.993 0.027 -10.374 1.00 0.00 O ATOM 0 H SER A 37 -17.428 -1.339 -9.017 1.00 0.00 H new ATOM 0 HA SER A 37 -18.472 -3.186 -10.958 1.00 0.00 H new ATOM 0 HB2 SER A 37 -20.284 -1.428 -11.121 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.853 -1.621 -9.433 1.00 0.00 H new ATOM 0 HG SER A 37 -19.724 0.629 -10.120 1.00 0.00 H new ATOM 553 N LYS A 38 -16.482 -1.221 -12.197 1.00 0.00 N ATOM 554 CA LYS A 38 -15.850 -0.696 -13.442 1.00 0.00 C ATOM 555 C LYS A 38 -15.284 -1.942 -14.137 1.00 0.00 C ATOM 556 O LYS A 38 -14.726 -2.795 -13.469 1.00 0.00 O ATOM 557 CB LYS A 38 -14.674 0.245 -13.121 1.00 0.00 C ATOM 558 CG LYS A 38 -15.154 1.573 -12.552 1.00 0.00 C ATOM 559 CD LYS A 38 -13.885 2.426 -12.258 1.00 0.00 C ATOM 560 CE LYS A 38 -14.242 3.805 -11.690 1.00 0.00 C ATOM 561 NZ LYS A 38 -15.030 4.549 -12.726 1.00 0.00 N ATOM 0 H LYS A 38 -15.858 -1.257 -11.391 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.568 -0.136 -14.040 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -14.007 -0.237 -12.406 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.095 0.425 -14.027 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.806 2.083 -13.261 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.733 1.416 -11.642 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.247 1.896 -11.551 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.310 2.549 -13.176 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.823 3.700 -10.774 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.337 4.356 -11.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.051 5.561 -12.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.584 4.424 -13.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -16.002 4.180 -12.755 1.00 0.00 H new ATOM 575 N PRO A 39 -15.410 -2.055 -15.443 1.00 0.00 N ATOM 576 CA PRO A 39 -14.859 -3.233 -16.172 1.00 0.00 C ATOM 577 C PRO A 39 -13.429 -3.546 -15.681 1.00 0.00 C ATOM 578 O PRO A 39 -12.620 -2.661 -15.442 1.00 0.00 O ATOM 579 CB PRO A 39 -14.991 -2.811 -17.667 1.00 0.00 C ATOM 580 CG PRO A 39 -15.143 -1.266 -17.594 1.00 0.00 C ATOM 581 CD PRO A 39 -16.049 -1.080 -16.369 1.00 0.00 C ATOM 0 HA PRO A 39 -15.378 -4.177 -16.005 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -14.114 -3.101 -18.245 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -15.854 -3.278 -18.141 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.181 -0.769 -17.467 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.595 -0.859 -18.499 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.029 -0.061 -15.984 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.091 -1.321 -16.578 1.00 0.00 H new ATOM 589 N LEU A 40 -13.141 -4.817 -15.536 1.00 0.00 N ATOM 590 CA LEU A 40 -11.787 -5.185 -15.061 1.00 0.00 C ATOM 591 C LEU A 40 -10.683 -4.512 -15.825 1.00 0.00 C ATOM 592 O LEU A 40 -9.677 -4.200 -15.232 1.00 0.00 O ATOM 593 CB LEU A 40 -11.612 -6.700 -15.135 1.00 0.00 C ATOM 594 CG LEU A 40 -11.329 -7.149 -13.688 1.00 0.00 C ATOM 595 CD1 LEU A 40 -12.650 -7.293 -12.920 1.00 0.00 C ATOM 596 CD2 LEU A 40 -10.548 -8.432 -13.729 1.00 0.00 C ATOM 0 H LEU A 40 -13.774 -5.594 -15.723 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.712 -4.838 -14.031 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.508 -7.181 -15.528 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.790 -6.969 -15.798 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.734 -6.404 -13.160 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.444 -7.611 -11.898 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.168 -6.334 -12.905 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.277 -8.037 -13.411 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.339 -8.764 -12.712 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.129 -9.195 -14.247 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.609 -8.269 -14.257 1.00 0.00 H new ATOM 608 N SER A 41 -10.900 -4.319 -17.097 1.00 0.00 N ATOM 609 CA SER A 41 -9.853 -3.648 -17.921 1.00 0.00 C ATOM 610 C SER A 41 -9.261 -2.414 -17.251 1.00 0.00 C ATOM 611 O SER A 41 -8.089 -2.405 -16.961 1.00 0.00 O ATOM 612 CB SER A 41 -10.406 -3.188 -19.270 1.00 0.00 C ATOM 613 OG SER A 41 -9.302 -2.458 -19.809 1.00 0.00 O ATOM 0 H SER A 41 -11.746 -4.593 -17.597 1.00 0.00 H new ATOM 0 HA SER A 41 -9.079 -4.405 -18.047 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.688 -4.029 -19.904 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.292 -2.563 -19.156 1.00 0.00 H new ATOM 0 HG SER A 41 -9.541 -2.108 -20.693 1.00 0.00 H new ATOM 619 N TRP A 42 -10.052 -1.397 -17.013 1.00 0.00 N ATOM 620 CA TRP A 42 -9.428 -0.197 -16.364 1.00 0.00 C ATOM 621 C TRP A 42 -8.839 -0.595 -15.002 1.00 0.00 C ATOM 622 O TRP A 42 -7.708 -0.253 -14.712 1.00 0.00 O ATOM 623 CB TRP A 42 -10.501 0.889 -16.222 1.00 0.00 C ATOM 624 CG TRP A 42 -9.861 2.243 -15.839 1.00 0.00 C ATOM 625 CD1 TRP A 42 -9.191 3.039 -16.722 1.00 0.00 C ATOM 626 CD2 TRP A 42 -9.875 2.858 -14.629 1.00 0.00 C ATOM 627 NE1 TRP A 42 -8.847 4.080 -16.002 1.00 0.00 N ATOM 628 CE2 TRP A 42 -9.210 4.070 -14.728 1.00 0.00 C ATOM 629 CE3 TRP A 42 -10.425 2.476 -13.417 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -9.098 4.889 -13.622 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -10.315 3.295 -12.304 1.00 0.00 C ATOM 632 CH2 TRP A 42 -9.651 4.503 -12.409 1.00 0.00 C ATOM 0 H TRP A 42 -11.048 -1.340 -17.225 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.612 0.193 -16.973 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.048 0.992 -17.159 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -11.225 0.595 -15.462 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.991 2.855 -17.767 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.325 4.859 -16.403 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.944 1.532 -13.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -8.579 5.833 -13.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -10.745 2.991 -11.361 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -9.563 5.147 -11.546 1.00 0.00 H new ATOM 643 N ARG A 43 -9.616 -1.315 -14.226 1.00 0.00 N ATOM 644 CA ARG A 43 -9.138 -1.762 -12.868 1.00 0.00 C ATOM 645 C ARG A 43 -7.721 -2.360 -12.906 1.00 0.00 C ATOM 646 O ARG A 43 -6.886 -1.847 -12.180 1.00 0.00 O ATOM 647 CB ARG A 43 -10.141 -2.797 -12.286 1.00 0.00 C ATOM 648 CG ARG A 43 -11.549 -2.147 -12.281 1.00 0.00 C ATOM 649 CD ARG A 43 -12.459 -2.740 -11.199 1.00 0.00 C ATOM 650 NE ARG A 43 -12.419 -4.244 -11.287 1.00 0.00 N ATOM 651 CZ ARG A 43 -12.401 -4.963 -10.224 1.00 0.00 C ATOM 652 NH1 ARG A 43 -13.492 -5.024 -9.589 1.00 0.00 N ATOM 653 NH2 ARG A 43 -11.364 -5.583 -9.823 1.00 0.00 N ATOM 0 H ARG A 43 -10.560 -1.614 -14.470 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.090 -0.881 -12.228 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.143 -3.706 -12.887 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.850 -3.084 -11.276 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.451 -1.073 -12.122 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.013 -2.283 -13.258 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -12.132 -2.413 -10.212 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -13.481 -2.383 -11.330 1.00 0.00 H new ATOM 0 HE ARG A 43 -12.406 -4.696 -12.202 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -14.310 -4.521 -9.932 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -13.554 -5.577 -8.734 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.495 -5.521 -10.354 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.402 -6.142 -8.971 1.00 0.00 H new ATOM 667 N SER A 44 -7.500 -3.378 -13.708 1.00 0.00 N ATOM 668 CA SER A 44 -6.148 -4.035 -13.837 1.00 0.00 C ATOM 669 C SER A 44 -5.212 -3.123 -14.684 1.00 0.00 C ATOM 670 O SER A 44 -4.059 -2.972 -14.338 1.00 0.00 O ATOM 671 CB SER A 44 -6.338 -5.410 -14.529 1.00 0.00 C ATOM 672 OG SER A 44 -6.901 -5.095 -15.804 1.00 0.00 O ATOM 0 H SER A 44 -8.220 -3.795 -14.297 1.00 0.00 H new ATOM 0 HA SER A 44 -5.695 -4.181 -12.856 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.389 -5.936 -14.633 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.999 -6.057 -13.952 1.00 0.00 H new ATOM 0 HG SER A 44 -7.862 -4.930 -15.706 1.00 0.00 H new ATOM 678 N LYS A 45 -5.719 -2.566 -15.767 1.00 0.00 N ATOM 679 CA LYS A 45 -4.964 -1.638 -16.713 1.00 0.00 C ATOM 680 C LYS A 45 -3.927 -0.808 -15.966 1.00 0.00 C ATOM 681 O LYS A 45 -2.757 -0.815 -16.284 1.00 0.00 O ATOM 682 CB LYS A 45 -5.950 -0.650 -17.430 1.00 0.00 C ATOM 683 CG LYS A 45 -5.146 0.389 -18.276 1.00 0.00 C ATOM 684 CD LYS A 45 -6.023 1.656 -18.632 1.00 0.00 C ATOM 685 CE LYS A 45 -7.086 1.390 -19.688 1.00 0.00 C ATOM 686 NZ LYS A 45 -6.356 1.128 -20.966 1.00 0.00 N ATOM 0 H LYS A 45 -6.684 -2.723 -16.056 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.467 -2.273 -17.446 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.631 -1.207 -18.074 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.562 -0.133 -16.690 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.261 0.703 -17.722 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.797 -0.082 -19.195 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.508 2.017 -17.725 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.367 2.453 -18.982 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.703 0.535 -19.411 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.754 2.245 -19.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.000 1.274 -21.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.550 1.780 -21.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.010 0.147 -20.973 1.00 0.00 H new ATOM 700 N TYR A 46 -4.428 -0.109 -14.991 1.00 0.00 N ATOM 701 CA TYR A 46 -3.564 0.772 -14.138 1.00 0.00 C ATOM 702 C TYR A 46 -3.442 0.149 -12.740 1.00 0.00 C ATOM 703 O TYR A 46 -4.363 -0.516 -12.338 1.00 0.00 O ATOM 704 CB TYR A 46 -4.246 2.176 -14.055 1.00 0.00 C ATOM 705 CG TYR A 46 -3.383 3.312 -14.604 1.00 0.00 C ATOM 706 CD1 TYR A 46 -2.045 3.389 -14.287 1.00 0.00 C ATOM 707 CD2 TYR A 46 -3.938 4.290 -15.406 1.00 0.00 C ATOM 708 CE1 TYR A 46 -1.277 4.425 -14.762 1.00 0.00 C ATOM 709 CE2 TYR A 46 -3.159 5.326 -15.879 1.00 0.00 C ATOM 710 CZ TYR A 46 -1.831 5.394 -15.557 1.00 0.00 C ATOM 711 OH TYR A 46 -1.065 6.435 -16.023 1.00 0.00 O ATOM 0 H TYR A 46 -5.416 -0.106 -14.739 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.565 0.874 -14.561 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.186 2.147 -14.606 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.493 2.389 -13.015 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.597 2.631 -13.662 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.986 4.244 -15.664 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.229 4.476 -14.507 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.600 6.087 -16.506 1.00 0.00 H new ATOM 0 HH TYR A 46 -0.991 7.123 -15.329 1.00 0.00 H new ATOM 721 N GLY A 47 -2.357 0.356 -12.037 1.00 0.00 N ATOM 722 CA GLY A 47 -2.198 -0.233 -10.640 1.00 0.00 C ATOM 723 C GLY A 47 -3.518 -0.518 -9.863 1.00 0.00 C ATOM 724 O GLY A 47 -4.067 -1.567 -10.093 1.00 0.00 O ATOM 0 H GLY A 47 -1.562 0.908 -12.359 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.640 -1.166 -10.722 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.591 0.450 -10.046 1.00 0.00 H new ATOM 728 N TRP A 48 -3.934 0.389 -8.999 1.00 0.00 N ATOM 729 CA TRP A 48 -5.202 0.333 -8.121 1.00 0.00 C ATOM 730 C TRP A 48 -4.710 -0.337 -6.884 1.00 0.00 C ATOM 731 O TRP A 48 -5.364 -1.112 -6.233 1.00 0.00 O ATOM 732 CB TRP A 48 -6.374 -0.523 -8.793 1.00 0.00 C ATOM 733 CG TRP A 48 -6.379 -1.993 -8.385 1.00 0.00 C ATOM 734 CD1 TRP A 48 -5.246 -2.716 -8.090 1.00 0.00 C ATOM 735 CD2 TRP A 48 -7.499 -2.741 -8.229 1.00 0.00 C ATOM 736 NE1 TRP A 48 -5.763 -3.878 -7.770 1.00 0.00 N ATOM 737 CE2 TRP A 48 -7.067 -3.963 -7.824 1.00 0.00 C ATOM 738 CE3 TRP A 48 -8.877 -2.556 -8.368 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -7.908 -4.960 -7.561 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -9.760 -3.598 -8.098 1.00 0.00 C ATOM 741 CH2 TRP A 48 -9.250 -4.811 -7.689 1.00 0.00 C ATOM 0 H TRP A 48 -3.406 1.248 -8.844 1.00 0.00 H new ATOM 0 HA TRP A 48 -5.637 1.319 -7.956 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -7.333 -0.079 -8.527 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.283 -0.457 -9.877 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.211 -2.409 -8.115 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.182 -4.670 -7.495 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -9.260 -1.598 -8.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.512 -5.911 -7.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -10.825 -3.458 -8.207 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -9.913 -5.636 -7.472 1.00 0.00 H new ATOM 752 N THR A 49 -3.564 0.045 -6.481 1.00 0.00 N ATOM 753 CA THR A 49 -3.081 -0.661 -5.319 1.00 0.00 C ATOM 754 C THR A 49 -3.641 -0.205 -4.027 1.00 0.00 C ATOM 755 O THR A 49 -4.121 0.904 -3.834 1.00 0.00 O ATOM 756 CB THR A 49 -1.579 -0.492 -5.316 1.00 0.00 C ATOM 757 OG1 THR A 49 -1.208 -1.096 -4.109 1.00 0.00 O ATOM 758 CG2 THR A 49 -1.096 0.937 -5.132 1.00 0.00 C ATOM 0 H THR A 49 -2.971 0.773 -6.880 1.00 0.00 H new ATOM 0 HA THR A 49 -3.402 -1.700 -5.398 1.00 0.00 H new ATOM 0 HB THR A 49 -1.185 -0.873 -6.258 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.053 -0.405 -3.432 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.006 0.957 -5.143 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.479 1.558 -5.942 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.456 1.323 -4.178 1.00 0.00 H new ATOM 766 N ALA A 50 -3.572 -1.159 -3.141 1.00 0.00 N ATOM 767 CA ALA A 50 -4.096 -0.730 -1.780 1.00 0.00 C ATOM 768 C ALA A 50 -2.867 0.036 -1.285 1.00 0.00 C ATOM 769 O ALA A 50 -1.865 -0.009 -1.971 1.00 0.00 O ATOM 770 CB ALA A 50 -4.296 -1.871 -0.757 1.00 0.00 C ATOM 0 H ALA A 50 -3.224 -2.111 -3.255 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.064 -0.236 -1.866 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.672 -1.458 0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.014 -2.591 -1.151 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.344 -2.370 -0.577 1.00 0.00 H new ATOM 776 N PHE A 51 -2.941 0.736 -0.187 1.00 0.00 N ATOM 777 CA PHE A 51 -1.693 1.470 0.241 1.00 0.00 C ATOM 778 C PHE A 51 -1.485 1.598 1.768 1.00 0.00 C ATOM 779 O PHE A 51 -2.342 2.192 2.398 1.00 0.00 O ATOM 780 CB PHE A 51 -1.784 2.859 -0.438 1.00 0.00 C ATOM 781 CG PHE A 51 -0.647 3.805 -0.003 1.00 0.00 C ATOM 782 CD1 PHE A 51 -0.715 4.498 1.189 1.00 0.00 C ATOM 783 CD2 PHE A 51 0.462 3.982 -0.797 1.00 0.00 C ATOM 784 CE1 PHE A 51 0.307 5.352 1.578 1.00 0.00 C ATOM 785 CE2 PHE A 51 1.480 4.836 -0.406 1.00 0.00 C ATOM 786 CZ PHE A 51 1.405 5.522 0.778 1.00 0.00 C ATOM 0 H PHE A 51 -3.760 0.837 0.413 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.819 0.896 -0.068 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.754 2.733 -1.520 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.744 3.315 -0.197 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.577 4.374 1.828 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.540 3.450 -1.734 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.236 5.884 2.515 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.344 4.963 -1.042 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.201 6.188 1.076 1.00 0.00 H new ATOM 796 N CYS A 52 -0.413 1.103 2.337 1.00 0.00 N ATOM 797 CA CYS A 52 -0.257 1.248 3.823 1.00 0.00 C ATOM 798 C CYS A 52 0.778 2.352 4.063 1.00 0.00 C ATOM 799 O CYS A 52 0.730 3.401 3.456 1.00 0.00 O ATOM 800 CB CYS A 52 0.228 -0.111 4.448 1.00 0.00 C ATOM 801 SG CYS A 52 -0.620 -1.616 3.936 1.00 0.00 S ATOM 0 H CYS A 52 0.343 0.617 1.855 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.206 1.507 4.293 1.00 0.00 H new ATOM 0 HB2 CYS A 52 1.287 -0.227 4.218 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.145 -0.031 5.532 1.00 0.00 H new ATOM 806 N GLY A 53 1.693 2.075 4.950 1.00 0.00 N ATOM 807 CA GLY A 53 2.781 3.045 5.296 1.00 0.00 C ATOM 808 C GLY A 53 2.416 4.533 5.178 1.00 0.00 C ATOM 809 O GLY A 53 2.998 5.232 4.376 1.00 0.00 O ATOM 0 H GLY A 53 1.736 1.195 5.465 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.103 2.850 6.319 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.636 2.848 4.649 1.00 0.00 H new ATOM 813 N PRO A 54 1.469 5.002 5.964 1.00 0.00 N ATOM 814 CA PRO A 54 0.808 6.334 5.736 1.00 0.00 C ATOM 815 C PRO A 54 1.681 7.632 5.728 1.00 0.00 C ATOM 816 O PRO A 54 1.535 8.488 6.579 1.00 0.00 O ATOM 817 CB PRO A 54 -0.310 6.344 6.823 1.00 0.00 C ATOM 818 CG PRO A 54 0.249 5.424 7.947 1.00 0.00 C ATOM 819 CD PRO A 54 0.942 4.290 7.167 1.00 0.00 C ATOM 0 HA PRO A 54 0.465 6.394 4.703 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.500 7.352 7.190 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -1.253 5.965 6.429 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.950 5.956 8.590 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.546 5.043 8.588 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.740 3.827 7.747 1.00 0.00 H new ATOM 0 HD3 PRO A 54 0.244 3.498 6.897 1.00 0.00 H new ATOM 827 N ALA A 55 2.558 7.782 4.769 1.00 0.00 N ATOM 828 CA ALA A 55 3.427 8.998 4.698 1.00 0.00 C ATOM 829 C ALA A 55 2.977 10.055 3.643 1.00 0.00 C ATOM 830 O ALA A 55 3.475 10.092 2.532 1.00 0.00 O ATOM 831 CB ALA A 55 4.851 8.457 4.426 1.00 0.00 C ATOM 0 H ALA A 55 2.712 7.105 4.022 1.00 0.00 H new ATOM 0 HA ALA A 55 3.368 9.559 5.630 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.550 9.290 4.360 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.150 7.796 5.239 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.857 7.903 3.487 1.00 0.00 H new ATOM 837 N GLY A 56 2.038 10.891 4.020 1.00 0.00 N ATOM 838 CA GLY A 56 1.520 11.965 3.090 1.00 0.00 C ATOM 839 C GLY A 56 -0.013 12.064 2.947 1.00 0.00 C ATOM 840 O GLY A 56 -0.724 11.079 3.058 1.00 0.00 O ATOM 0 H GLY A 56 1.599 10.880 4.941 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.894 12.928 3.437 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.946 11.796 2.101 1.00 0.00 H new ATOM 844 N PRO A 57 -0.471 13.271 2.682 1.00 0.00 N ATOM 845 CA PRO A 57 -1.906 13.654 2.841 1.00 0.00 C ATOM 846 C PRO A 57 -2.839 12.928 1.840 1.00 0.00 C ATOM 847 O PRO A 57 -2.941 13.292 0.686 1.00 0.00 O ATOM 848 CB PRO A 57 -1.877 15.184 2.672 1.00 0.00 C ATOM 849 CG PRO A 57 -0.763 15.344 1.607 1.00 0.00 C ATOM 850 CD PRO A 57 0.334 14.426 2.173 1.00 0.00 C ATOM 0 HA PRO A 57 -2.326 13.355 3.801 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.834 15.579 2.330 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.634 15.697 3.603 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.093 15.028 0.617 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.427 16.377 1.516 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.048 14.122 1.408 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.904 14.910 2.967 1.00 0.00 H new ATOM 858 N ARG A 58 -3.482 11.901 2.318 1.00 0.00 N ATOM 859 CA ARG A 58 -4.438 11.072 1.508 1.00 0.00 C ATOM 860 C ARG A 58 -5.570 10.548 2.440 1.00 0.00 C ATOM 861 O ARG A 58 -5.576 10.824 3.624 1.00 0.00 O ATOM 862 CB ARG A 58 -3.541 9.982 0.853 1.00 0.00 C ATOM 863 CG ARG A 58 -3.962 8.535 1.165 1.00 0.00 C ATOM 864 CD ARG A 58 -2.904 7.606 0.556 1.00 0.00 C ATOM 865 NE ARG A 58 -1.814 7.285 1.550 1.00 0.00 N ATOM 866 CZ ARG A 58 -1.882 7.449 2.820 1.00 0.00 C ATOM 867 NH1 ARG A 58 -1.532 8.541 3.369 1.00 0.00 N ATOM 868 NH2 ARG A 58 -2.310 6.450 3.486 1.00 0.00 N ATOM 0 H ARG A 58 -3.383 11.583 3.282 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.971 11.605 0.721 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.549 10.124 -0.228 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.513 10.127 1.186 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.034 8.380 2.242 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.946 8.323 0.746 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.377 6.683 0.222 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.468 8.077 -0.325 1.00 0.00 H new ATOM 0 HE ARG A 58 -0.945 6.903 1.178 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.187 9.312 2.797 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.596 8.646 4.382 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.573 5.590 3.004 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.390 6.510 4.501 1.00 0.00 H new ATOM 882 N GLY A 59 -6.500 9.799 1.899 1.00 0.00 N ATOM 883 CA GLY A 59 -7.647 9.238 2.712 1.00 0.00 C ATOM 884 C GLY A 59 -9.015 9.297 2.012 1.00 0.00 C ATOM 885 O GLY A 59 -9.657 8.272 1.899 1.00 0.00 O ATOM 0 H GLY A 59 -6.521 9.543 0.912 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.425 8.200 2.961 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.711 9.785 3.653 1.00 0.00 H new ATOM 889 N GLN A 60 -9.402 10.469 1.571 1.00 0.00 N ATOM 890 CA GLN A 60 -10.726 10.657 0.869 1.00 0.00 C ATOM 891 C GLN A 60 -10.637 10.469 -0.681 1.00 0.00 C ATOM 892 O GLN A 60 -10.823 9.398 -1.227 1.00 0.00 O ATOM 893 CB GLN A 60 -11.250 12.100 1.210 1.00 0.00 C ATOM 894 CG GLN A 60 -11.706 12.263 2.697 1.00 0.00 C ATOM 895 CD GLN A 60 -12.170 13.716 2.939 1.00 0.00 C ATOM 896 OE1 GLN A 60 -12.774 14.345 2.101 1.00 0.00 O ATOM 897 NE2 GLN A 60 -11.936 14.326 4.058 1.00 0.00 N ATOM 0 H GLN A 60 -8.852 11.322 1.666 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.412 9.888 1.223 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -10.462 12.823 0.998 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -12.087 12.339 0.553 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.518 11.570 2.917 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -10.884 12.016 3.369 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -11.431 13.848 4.804 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.257 15.285 4.193 1.00 0.00 H new ATOM 906 N ALA A 61 -10.323 11.537 -1.367 1.00 0.00 N ATOM 907 CA ALA A 61 -10.206 11.530 -2.857 1.00 0.00 C ATOM 908 C ALA A 61 -8.768 11.185 -3.282 1.00 0.00 C ATOM 909 O ALA A 61 -8.047 11.930 -3.922 1.00 0.00 O ATOM 910 CB ALA A 61 -10.652 12.926 -3.337 1.00 0.00 C ATOM 0 H ALA A 61 -10.137 12.445 -0.941 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.837 10.767 -3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.586 12.975 -4.424 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.682 13.105 -3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.004 13.685 -2.899 1.00 0.00 H new ATOM 916 N ALA A 62 -8.458 9.997 -2.851 1.00 0.00 N ATOM 917 CA ALA A 62 -7.146 9.336 -3.089 1.00 0.00 C ATOM 918 C ALA A 62 -7.467 8.378 -4.254 1.00 0.00 C ATOM 919 O ALA A 62 -6.750 8.367 -5.223 1.00 0.00 O ATOM 920 CB ALA A 62 -6.746 8.622 -1.777 1.00 0.00 C ATOM 0 H ALA A 62 -9.104 9.423 -2.309 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.306 9.982 -3.345 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.786 8.124 -1.912 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.665 9.355 -0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.505 7.883 -1.519 1.00 0.00 H new ATOM 926 N CYS A 63 -8.521 7.613 -4.125 1.00 0.00 N ATOM 927 CA CYS A 63 -8.998 6.629 -5.176 1.00 0.00 C ATOM 928 C CYS A 63 -8.780 7.162 -6.634 1.00 0.00 C ATOM 929 O CYS A 63 -8.514 6.433 -7.568 1.00 0.00 O ATOM 930 CB CYS A 63 -10.497 6.382 -4.797 1.00 0.00 C ATOM 931 SG CYS A 63 -11.695 5.645 -5.935 1.00 0.00 S ATOM 0 H CYS A 63 -9.109 7.624 -3.291 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.433 5.697 -5.182 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.491 5.754 -3.906 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -10.905 7.349 -4.503 1.00 0.00 H new ATOM 936 N GLY A 64 -8.894 8.463 -6.763 1.00 0.00 N ATOM 937 CA GLY A 64 -8.719 9.148 -8.094 1.00 0.00 C ATOM 938 C GLY A 64 -7.352 9.810 -8.257 1.00 0.00 C ATOM 939 O GLY A 64 -7.208 10.794 -8.954 1.00 0.00 O ATOM 0 H GLY A 64 -9.105 9.094 -5.990 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.859 8.418 -8.892 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.497 9.902 -8.212 1.00 0.00 H new ATOM 943 N LYS A 65 -6.397 9.231 -7.588 1.00 0.00 N ATOM 944 CA LYS A 65 -4.978 9.679 -7.594 1.00 0.00 C ATOM 945 C LYS A 65 -4.075 8.438 -7.812 1.00 0.00 C ATOM 946 O LYS A 65 -4.454 7.296 -7.608 1.00 0.00 O ATOM 947 CB LYS A 65 -4.645 10.336 -6.224 1.00 0.00 C ATOM 948 CG LYS A 65 -5.472 11.623 -5.974 1.00 0.00 C ATOM 949 CD LYS A 65 -4.888 12.763 -6.859 1.00 0.00 C ATOM 950 CE LYS A 65 -5.589 14.090 -6.585 1.00 0.00 C ATOM 951 NZ LYS A 65 -5.373 14.433 -5.145 1.00 0.00 N ATOM 0 H LYS A 65 -6.556 8.413 -7.000 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.810 10.405 -8.389 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.838 9.621 -5.424 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.582 10.576 -6.187 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.521 11.453 -6.218 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.431 11.902 -4.921 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.820 12.866 -6.665 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.997 12.502 -7.912 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.189 14.873 -7.228 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.654 14.012 -6.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.480 15.459 -5.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.073 13.934 -4.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.415 14.145 -4.859 1.00 0.00 H new ATOM 965 N CYS A 66 -2.881 8.719 -8.244 1.00 0.00 N ATOM 966 CA CYS A 66 -1.863 7.685 -8.496 1.00 0.00 C ATOM 967 C CYS A 66 -0.593 8.087 -7.722 1.00 0.00 C ATOM 968 O CYS A 66 -0.389 9.187 -7.226 1.00 0.00 O ATOM 969 CB CYS A 66 -1.573 7.589 -10.017 1.00 0.00 C ATOM 970 SG CYS A 66 -2.692 6.580 -11.018 1.00 0.00 S ATOM 0 H CYS A 66 -2.563 9.668 -8.439 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.210 6.707 -8.163 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.576 8.600 -10.425 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -0.564 7.198 -10.143 1.00 0.00 H new ATOM 975 N LEU A 67 0.228 7.099 -7.669 1.00 0.00 N ATOM 976 CA LEU A 67 1.547 7.177 -6.992 1.00 0.00 C ATOM 977 C LEU A 67 2.586 6.937 -8.090 1.00 0.00 C ATOM 978 O LEU A 67 2.556 5.898 -8.730 1.00 0.00 O ATOM 979 CB LEU A 67 1.586 6.067 -5.889 1.00 0.00 C ATOM 980 CG LEU A 67 1.105 6.634 -4.534 1.00 0.00 C ATOM 981 CD1 LEU A 67 0.755 5.483 -3.551 1.00 0.00 C ATOM 982 CD2 LEU A 67 2.276 7.341 -3.895 1.00 0.00 C ATOM 0 H LEU A 67 0.035 6.189 -8.088 1.00 0.00 H new ATOM 0 HA LEU A 67 1.739 8.133 -6.504 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.954 5.230 -6.185 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.600 5.681 -5.789 1.00 0.00 H new ATOM 0 HG LEU A 67 0.242 7.275 -4.714 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.419 5.904 -2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.038 4.869 -3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.639 4.868 -3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.971 7.755 -2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.090 6.632 -3.743 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.614 8.147 -4.546 1.00 0.00 H new ATOM 994 N ARG A 68 3.468 7.865 -8.325 1.00 0.00 N ATOM 995 CA ARG A 68 4.475 7.594 -9.392 1.00 0.00 C ATOM 996 C ARG A 68 5.552 6.975 -8.499 1.00 0.00 C ATOM 997 O ARG A 68 6.043 7.662 -7.617 1.00 0.00 O ATOM 998 CB ARG A 68 4.923 8.926 -10.056 1.00 0.00 C ATOM 999 CG ARG A 68 6.093 8.596 -11.031 1.00 0.00 C ATOM 1000 CD ARG A 68 6.345 9.774 -12.002 1.00 0.00 C ATOM 1001 NE ARG A 68 7.531 9.463 -12.897 1.00 0.00 N ATOM 1002 CZ ARG A 68 8.563 8.832 -12.470 1.00 0.00 C ATOM 1003 NH1 ARG A 68 8.607 7.567 -12.520 1.00 0.00 N ATOM 1004 NH2 ARG A 68 9.533 9.496 -11.993 1.00 0.00 N ATOM 0 H ARG A 68 3.539 8.764 -7.849 1.00 0.00 H new ATOM 0 HA ARG A 68 4.167 6.979 -10.238 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.093 9.383 -10.595 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.245 9.642 -9.300 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.999 8.387 -10.462 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.858 7.695 -11.598 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.457 9.952 -12.609 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.534 10.687 -11.438 1.00 0.00 H new ATOM 0 HE ARG A 68 7.506 9.766 -13.871 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.819 7.044 -12.902 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.431 7.071 -12.179 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.484 10.514 -11.954 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.362 9.012 -11.649 1.00 0.00 H new ATOM 1018 N VAL A 69 5.876 5.729 -8.743 1.00 0.00 N ATOM 1019 CA VAL A 69 6.909 5.045 -7.905 1.00 0.00 C ATOM 1020 C VAL A 69 8.150 4.716 -8.719 1.00 0.00 C ATOM 1021 O VAL A 69 8.075 4.204 -9.821 1.00 0.00 O ATOM 1022 CB VAL A 69 6.370 3.702 -7.329 1.00 0.00 C ATOM 1023 CG1 VAL A 69 7.372 3.127 -6.271 1.00 0.00 C ATOM 1024 CG2 VAL A 69 4.972 3.858 -6.715 1.00 0.00 C ATOM 0 H VAL A 69 5.471 5.157 -9.484 1.00 0.00 H new ATOM 0 HA VAL A 69 7.154 5.736 -7.098 1.00 0.00 H new ATOM 0 HB VAL A 69 6.282 3.000 -8.159 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.984 2.188 -5.875 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.338 2.950 -6.743 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.491 3.842 -5.457 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.636 2.897 -6.326 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.010 4.585 -5.903 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.276 4.204 -7.479 1.00 0.00 H new ATOM 1034 N THR A 70 9.250 5.050 -8.105 1.00 0.00 N ATOM 1035 CA THR A 70 10.605 4.812 -8.702 1.00 0.00 C ATOM 1036 C THR A 70 11.455 4.164 -7.601 1.00 0.00 C ATOM 1037 O THR A 70 11.334 4.482 -6.425 1.00 0.00 O ATOM 1038 CB THR A 70 11.302 6.142 -9.138 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.642 6.644 -10.313 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.782 5.881 -9.546 1.00 0.00 C ATOM 0 H THR A 70 9.272 5.492 -7.186 1.00 0.00 H new ATOM 0 HA THR A 70 10.503 4.189 -9.590 1.00 0.00 H new ATOM 0 HB THR A 70 11.254 6.841 -8.303 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.296 6.752 -11.035 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.248 6.820 -9.846 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.324 5.461 -8.699 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.811 5.179 -10.379 1.00 0.00 H new ATOM 1048 N ASN A 71 12.292 3.268 -8.030 1.00 0.00 N ATOM 1049 CA ASN A 71 13.209 2.534 -7.111 1.00 0.00 C ATOM 1050 C ASN A 71 14.663 2.999 -7.370 1.00 0.00 C ATOM 1051 O ASN A 71 15.096 2.862 -8.495 1.00 0.00 O ATOM 1052 CB ASN A 71 13.027 1.057 -7.420 1.00 0.00 C ATOM 1053 CG ASN A 71 13.945 0.217 -6.548 1.00 0.00 C ATOM 1054 OD1 ASN A 71 14.063 -1.047 -6.778 1.00 0.00 O flip ATOM 1055 ND2 ASN A 71 14.580 0.685 -5.631 1.00 0.00 N flip ATOM 0 H ASN A 71 12.384 3.003 -9.011 1.00 0.00 H new ATOM 0 HA ASN A 71 12.991 2.725 -6.060 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.990 0.769 -7.251 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.242 0.870 -8.472 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.512 1.680 -5.419 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.183 0.084 -5.070 1.00 0.00 H new ATOM 1062 N PRO A 72 15.401 3.508 -6.408 1.00 0.00 N ATOM 1063 CA PRO A 72 16.781 4.001 -6.696 1.00 0.00 C ATOM 1064 C PRO A 72 17.666 2.815 -7.151 1.00 0.00 C ATOM 1065 O PRO A 72 17.969 2.686 -8.319 1.00 0.00 O ATOM 1066 CB PRO A 72 17.245 4.652 -5.377 1.00 0.00 C ATOM 1067 CG PRO A 72 15.951 4.781 -4.513 1.00 0.00 C ATOM 1068 CD PRO A 72 15.002 3.671 -4.986 1.00 0.00 C ATOM 0 HA PRO A 72 16.836 4.726 -7.508 1.00 0.00 H new ATOM 0 HB2 PRO A 72 17.994 4.039 -4.876 1.00 0.00 H new ATOM 0 HB3 PRO A 72 17.699 5.627 -5.556 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.179 4.671 -3.453 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.495 5.763 -4.641 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.135 2.751 -4.417 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.955 3.959 -4.886 1.00 0.00 H new ATOM 1076 N ALA A 73 18.037 1.986 -6.208 1.00 0.00 N ATOM 1077 CA ALA A 73 18.894 0.775 -6.448 1.00 0.00 C ATOM 1078 C ALA A 73 18.842 0.140 -7.860 1.00 0.00 C ATOM 1079 O ALA A 73 19.843 0.013 -8.535 1.00 0.00 O ATOM 1080 CB ALA A 73 18.488 -0.239 -5.372 1.00 0.00 C ATOM 0 H ALA A 73 17.768 2.104 -5.231 1.00 0.00 H new ATOM 0 HA ALA A 73 19.935 1.093 -6.388 1.00 0.00 H new ATOM 0 HB1 ALA A 73 19.076 -1.149 -5.489 1.00 0.00 H new ATOM 0 HB2 ALA A 73 18.669 0.186 -4.385 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.429 -0.476 -5.476 1.00 0.00 H new ATOM 1086 N THR A 74 17.646 -0.242 -8.233 1.00 0.00 N ATOM 1087 CA THR A 74 17.415 -0.885 -9.588 1.00 0.00 C ATOM 1088 C THR A 74 17.128 0.164 -10.677 1.00 0.00 C ATOM 1089 O THR A 74 17.222 -0.118 -11.855 1.00 0.00 O ATOM 1090 CB THR A 74 16.195 -1.892 -9.546 1.00 0.00 C ATOM 1091 OG1 THR A 74 15.060 -1.129 -9.164 1.00 0.00 O ATOM 1092 CG2 THR A 74 16.303 -2.946 -8.423 1.00 0.00 C ATOM 0 H THR A 74 16.807 -0.140 -7.662 1.00 0.00 H new ATOM 0 HA THR A 74 18.333 -1.420 -9.830 1.00 0.00 H new ATOM 0 HB THR A 74 16.153 -2.384 -10.518 1.00 0.00 H new ATOM 0 HG1 THR A 74 14.706 -1.471 -8.316 1.00 0.00 H new ATOM 0 HG21 THR A 74 15.433 -3.602 -8.455 1.00 0.00 H new ATOM 0 HG22 THR A 74 17.208 -3.537 -8.564 1.00 0.00 H new ATOM 0 HG23 THR A 74 16.344 -2.445 -7.456 1.00 0.00 H new ATOM 1100 N GLY A 75 16.784 1.364 -10.269 1.00 0.00 N ATOM 1101 CA GLY A 75 16.483 2.472 -11.244 1.00 0.00 C ATOM 1102 C GLY A 75 15.155 2.315 -11.964 1.00 0.00 C ATOM 1103 O GLY A 75 14.762 3.176 -12.725 1.00 0.00 O ATOM 0 H GLY A 75 16.697 1.630 -9.288 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.486 3.423 -10.711 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.283 2.519 -11.983 1.00 0.00 H new ATOM 1107 N ALA A 76 14.483 1.230 -11.703 1.00 0.00 N ATOM 1108 CA ALA A 76 13.175 1.021 -12.388 1.00 0.00 C ATOM 1109 C ALA A 76 12.072 1.918 -11.774 1.00 0.00 C ATOM 1110 O ALA A 76 12.120 2.301 -10.620 1.00 0.00 O ATOM 1111 CB ALA A 76 12.846 -0.479 -12.254 1.00 0.00 C ATOM 0 H ALA A 76 14.772 0.493 -11.060 1.00 0.00 H new ATOM 0 HA ALA A 76 13.229 1.304 -13.439 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.893 -0.687 -12.741 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.632 -1.068 -12.727 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.780 -0.744 -11.199 1.00 0.00 H new ATOM 1117 N GLN A 77 11.101 2.241 -12.580 1.00 0.00 N ATOM 1118 CA GLN A 77 9.972 3.096 -12.108 1.00 0.00 C ATOM 1119 C GLN A 77 8.670 2.760 -12.859 1.00 0.00 C ATOM 1120 O GLN A 77 8.681 2.474 -14.039 1.00 0.00 O ATOM 1121 CB GLN A 77 10.406 4.572 -12.306 1.00 0.00 C ATOM 1122 CG GLN A 77 10.795 4.883 -13.787 1.00 0.00 C ATOM 1123 CD GLN A 77 11.196 6.350 -14.014 1.00 0.00 C ATOM 1124 OE1 GLN A 77 11.393 7.189 -13.047 1.00 0.00 O flip ATOM 1125 NE2 GLN A 77 11.351 6.799 -15.122 1.00 0.00 N flip ATOM 0 H GLN A 77 11.039 1.948 -13.555 1.00 0.00 H new ATOM 0 HA GLN A 77 9.756 2.914 -11.055 1.00 0.00 H new ATOM 0 HB2 GLN A 77 9.594 5.231 -12.000 1.00 0.00 H new ATOM 0 HB3 GLN A 77 11.254 4.789 -11.657 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.622 4.237 -14.082 1.00 0.00 H new ATOM 0 HG3 GLN A 77 9.954 4.639 -14.436 1.00 0.00 H new ATOM 0 HE21 GLN A 77 11.215 6.202 -15.938 1.00 0.00 H new ATOM 0 HE22 GLN A 77 11.618 7.776 -15.244 1.00 0.00 H new ATOM 1134 N ILE A 78 7.580 2.802 -12.140 1.00 0.00 N ATOM 1135 CA ILE A 78 6.214 2.507 -12.682 1.00 0.00 C ATOM 1136 C ILE A 78 5.154 3.488 -12.101 1.00 0.00 C ATOM 1137 O ILE A 78 5.413 4.204 -11.148 1.00 0.00 O ATOM 1138 CB ILE A 78 5.936 1.052 -12.301 1.00 0.00 C ATOM 1139 CG1 ILE A 78 4.884 0.374 -13.244 1.00 0.00 C ATOM 1140 CG2 ILE A 78 5.474 0.944 -10.825 1.00 0.00 C ATOM 1141 CD1 ILE A 78 5.582 -0.757 -14.054 1.00 0.00 C ATOM 0 H ILE A 78 7.580 3.041 -11.148 1.00 0.00 H new ATOM 0 HA ILE A 78 6.161 2.643 -13.762 1.00 0.00 H new ATOM 0 HB ILE A 78 6.877 0.516 -12.422 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.062 -0.036 -12.657 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.455 1.112 -13.922 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.283 -0.101 -10.579 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.253 1.334 -10.170 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.561 1.522 -10.686 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.856 -1.234 -14.713 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.389 -0.332 -14.651 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.990 -1.498 -13.367 1.00 0.00 H new ATOM 1153 N THR A 79 3.983 3.502 -12.680 1.00 0.00 N ATOM 1154 CA THR A 79 2.874 4.411 -12.196 1.00 0.00 C ATOM 1155 C THR A 79 1.763 3.516 -11.638 1.00 0.00 C ATOM 1156 O THR A 79 1.188 2.723 -12.361 1.00 0.00 O ATOM 1157 CB THR A 79 2.331 5.239 -13.370 1.00 0.00 C ATOM 1158 OG1 THR A 79 3.476 5.912 -13.856 1.00 0.00 O ATOM 1159 CG2 THR A 79 1.464 6.412 -12.878 1.00 0.00 C ATOM 0 H THR A 79 3.734 2.919 -13.479 1.00 0.00 H new ATOM 0 HA THR A 79 3.241 5.096 -11.432 1.00 0.00 H new ATOM 0 HB THR A 79 1.778 4.594 -14.053 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.226 6.473 -14.620 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.096 6.977 -13.735 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.619 6.026 -12.308 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.062 7.065 -12.243 1.00 0.00 H new ATOM 1167 N ALA A 80 1.473 3.656 -10.370 1.00 0.00 N ATOM 1168 CA ALA A 80 0.401 2.793 -9.771 1.00 0.00 C ATOM 1169 C ALA A 80 -0.817 3.631 -9.354 1.00 0.00 C ATOM 1170 O ALA A 80 -0.667 4.786 -9.000 1.00 0.00 O ATOM 1171 CB ALA A 80 1.046 2.066 -8.575 1.00 0.00 C ATOM 0 H ALA A 80 1.919 4.315 -9.732 1.00 0.00 H new ATOM 0 HA ALA A 80 0.022 2.070 -10.494 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.307 1.421 -8.100 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.883 1.462 -8.925 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.405 2.800 -7.853 1.00 0.00 H new ATOM 1177 N ARG A 81 -1.980 3.021 -9.389 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.195 3.807 -8.997 1.00 0.00 C ATOM 1179 C ARG A 81 -3.465 3.600 -7.519 1.00 0.00 C ATOM 1180 O ARG A 81 -3.155 2.527 -7.055 1.00 0.00 O ATOM 1181 CB ARG A 81 -4.377 3.304 -9.833 1.00 0.00 C ATOM 1182 CG ARG A 81 -5.625 4.113 -9.407 1.00 0.00 C ATOM 1183 CD ARG A 81 -6.724 4.161 -10.483 1.00 0.00 C ATOM 1184 NE ARG A 81 -6.483 3.134 -11.566 1.00 0.00 N ATOM 1185 CZ ARG A 81 -6.891 1.922 -11.439 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -8.076 1.776 -11.049 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -6.143 0.934 -11.690 1.00 0.00 N ATOM 0 H ARG A 81 -2.139 2.051 -9.661 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.046 4.872 -9.177 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.179 3.437 -10.897 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.537 2.238 -9.669 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.038 3.677 -8.497 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.322 5.131 -9.163 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.695 3.983 -10.021 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.759 5.157 -10.925 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.987 3.408 -12.414 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -8.653 2.594 -10.854 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.461 0.839 -10.928 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.184 1.087 -12.004 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.498 -0.016 -11.579 1.00 0.00 H new ATOM 1201 N ILE A 82 -4.016 4.557 -6.816 1.00 0.00 N ATOM 1202 CA ILE A 82 -4.280 4.326 -5.348 1.00 0.00 C ATOM 1203 C ILE A 82 -5.683 3.727 -5.215 1.00 0.00 C ATOM 1204 O ILE A 82 -6.548 4.154 -5.944 1.00 0.00 O ATOM 1205 CB ILE A 82 -4.221 5.689 -4.574 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -2.772 6.253 -4.643 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -4.668 5.456 -3.092 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -2.616 7.554 -3.786 1.00 0.00 C ATOM 0 H ILE A 82 -4.292 5.470 -7.177 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.530 3.654 -4.930 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.895 6.416 -5.027 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.070 5.498 -4.289 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.514 6.467 -5.680 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.629 6.400 -2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.687 5.069 -3.076 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.999 4.737 -2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.591 7.917 -3.860 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.299 8.318 -4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.849 7.334 -2.744 1.00 0.00 H new ATOM 1220 N VAL A 83 -5.925 2.773 -4.359 1.00 0.00 N ATOM 1221 CA VAL A 83 -7.336 2.248 -4.276 1.00 0.00 C ATOM 1222 C VAL A 83 -7.815 2.117 -2.822 1.00 0.00 C ATOM 1223 O VAL A 83 -8.952 2.412 -2.503 1.00 0.00 O ATOM 1224 CB VAL A 83 -7.391 0.880 -5.015 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -7.113 -0.331 -4.111 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -8.755 0.695 -5.688 1.00 0.00 C ATOM 0 H VAL A 83 -5.245 2.342 -3.733 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.012 2.956 -4.754 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.592 0.915 -5.755 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.170 -1.246 -4.701 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.117 -0.240 -3.677 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.855 -0.367 -3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -8.780 -0.266 -6.201 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.540 0.723 -4.933 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.916 1.496 -6.409 1.00 0.00 H new ATOM 1236 N ASP A 84 -6.924 1.664 -1.979 1.00 0.00 N ATOM 1237 CA ASP A 84 -7.282 1.493 -0.526 1.00 0.00 C ATOM 1238 C ASP A 84 -6.285 2.121 0.515 1.00 0.00 C ATOM 1239 O ASP A 84 -5.285 2.716 0.159 1.00 0.00 O ATOM 1240 CB ASP A 84 -7.457 -0.041 -0.327 1.00 0.00 C ATOM 1241 CG ASP A 84 -7.979 -0.283 1.075 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -9.039 0.269 1.341 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -7.272 -0.976 1.780 1.00 0.00 O ATOM 0 H ASP A 84 -5.969 1.405 -2.225 1.00 0.00 H new ATOM 0 HA ASP A 84 -8.190 2.058 -0.317 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.151 -0.443 -1.065 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.506 -0.554 -0.472 1.00 0.00 H new ATOM 1248 N GLN A 85 -6.579 1.966 1.782 1.00 0.00 N ATOM 1249 CA GLN A 85 -5.724 2.521 2.894 1.00 0.00 C ATOM 1250 C GLN A 85 -5.357 1.541 4.062 1.00 0.00 C ATOM 1251 O GLN A 85 -6.230 0.915 4.622 1.00 0.00 O ATOM 1252 CB GLN A 85 -6.509 3.730 3.428 1.00 0.00 C ATOM 1253 CG GLN A 85 -5.725 4.521 4.529 1.00 0.00 C ATOM 1254 CD GLN A 85 -6.613 5.570 5.219 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -6.662 6.768 4.745 1.00 0.00 O flip ATOM 1256 NE2 GLN A 85 -7.285 5.347 6.198 1.00 0.00 N flip ATOM 0 H GLN A 85 -7.403 1.461 2.108 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.744 2.761 2.481 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.742 4.401 2.601 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.459 3.388 3.839 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.341 3.824 5.273 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.863 5.014 4.079 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.285 4.416 6.616 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.853 6.089 6.607 1.00 0.00 H new ATOM 1265 N CYS A 86 -4.103 1.417 4.404 1.00 0.00 N ATOM 1266 CA CYS A 86 -3.701 0.503 5.537 1.00 0.00 C ATOM 1267 C CYS A 86 -2.534 1.074 6.403 1.00 0.00 C ATOM 1268 O CYS A 86 -2.114 2.197 6.202 1.00 0.00 O ATOM 1269 CB CYS A 86 -3.388 -0.871 4.878 1.00 0.00 C ATOM 1270 SG CYS A 86 -2.423 -0.927 3.350 1.00 0.00 S ATOM 0 H CYS A 86 -3.330 1.906 3.952 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.505 0.400 6.266 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -2.864 -1.476 5.618 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.340 -1.363 4.681 1.00 0.00 H new ATOM 1275 N ALA A 87 -2.030 0.325 7.357 1.00 0.00 N ATOM 1276 CA ALA A 87 -0.898 0.831 8.233 1.00 0.00 C ATOM 1277 C ALA A 87 0.058 -0.270 8.788 1.00 0.00 C ATOM 1278 O ALA A 87 0.690 -0.108 9.814 1.00 0.00 O ATOM 1279 CB ALA A 87 -1.553 1.627 9.398 1.00 0.00 C ATOM 0 H ALA A 87 -2.348 -0.619 7.575 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.248 1.450 7.614 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.776 2.012 10.058 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.129 2.458 8.992 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.214 0.969 9.962 1.00 0.00 H new ATOM 1285 N ASN A 88 0.136 -1.359 8.078 1.00 0.00 N ATOM 1286 CA ASN A 88 1.004 -2.531 8.459 1.00 0.00 C ATOM 1287 C ASN A 88 2.079 -2.864 7.375 1.00 0.00 C ATOM 1288 O ASN A 88 1.941 -2.452 6.246 1.00 0.00 O ATOM 1289 CB ASN A 88 -0.001 -3.692 8.704 1.00 0.00 C ATOM 1290 CG ASN A 88 -0.895 -3.814 7.465 1.00 0.00 C ATOM 1291 OD1 ASN A 88 -1.647 -2.925 7.122 1.00 0.00 O ATOM 1292 ND2 ASN A 88 -0.869 -4.877 6.733 1.00 0.00 N ATOM 0 H ASN A 88 -0.384 -1.499 7.212 1.00 0.00 H new ATOM 0 HA ASN A 88 1.604 -2.326 9.346 1.00 0.00 H new ATOM 0 HB2 ASN A 88 0.532 -4.626 8.883 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -0.603 -3.494 9.591 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -1.464 -4.942 5.907 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -0.253 -5.652 6.980 1.00 0.00 H new ATOM 1299 N GLY A 89 3.104 -3.602 7.747 1.00 0.00 N ATOM 1300 CA GLY A 89 4.266 -4.049 6.857 1.00 0.00 C ATOM 1301 C GLY A 89 4.657 -3.182 5.640 1.00 0.00 C ATOM 1302 O GLY A 89 5.094 -2.058 5.800 1.00 0.00 O ATOM 0 H GLY A 89 3.197 -3.943 8.704 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.148 -4.143 7.491 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.032 -5.047 6.487 1.00 0.00 H new ATOM 1306 N GLY A 90 4.513 -3.714 4.451 1.00 0.00 N ATOM 1307 CA GLY A 90 4.867 -2.925 3.197 1.00 0.00 C ATOM 1308 C GLY A 90 3.584 -2.212 2.798 1.00 0.00 C ATOM 1309 O GLY A 90 2.607 -2.452 3.457 1.00 0.00 O ATOM 0 H GLY A 90 4.167 -4.658 4.280 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.668 -2.213 3.393 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.214 -3.585 2.402 1.00 0.00 H new ATOM 1313 N LEU A 91 3.508 -1.417 1.772 1.00 0.00 N ATOM 1314 CA LEU A 91 2.196 -0.723 1.482 1.00 0.00 C ATOM 1315 C LEU A 91 1.323 -0.944 0.251 1.00 0.00 C ATOM 1316 O LEU A 91 1.125 0.032 -0.448 1.00 0.00 O ATOM 1317 CB LEU A 91 2.576 0.806 1.630 1.00 0.00 C ATOM 1318 CG LEU A 91 3.733 1.123 0.605 1.00 0.00 C ATOM 1319 CD1 LEU A 91 3.553 2.522 -0.002 1.00 0.00 C ATOM 1320 CD2 LEU A 91 5.103 1.123 1.312 1.00 0.00 C ATOM 0 H LEU A 91 4.270 -1.211 1.126 1.00 0.00 H new ATOM 0 HA LEU A 91 1.494 -1.199 2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.708 1.435 1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.900 1.021 2.648 1.00 0.00 H new ATOM 0 HG LEU A 91 3.692 0.354 -0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.361 2.720 -0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.597 2.572 -0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.572 3.268 0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.887 1.344 0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.109 1.882 2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.284 0.144 1.755 1.00 0.00 H new ATOM 1332 N ASP A 92 0.787 -2.116 0.008 1.00 0.00 N ATOM 1333 CA ASP A 92 -0.053 -2.213 -1.258 1.00 0.00 C ATOM 1334 C ASP A 92 -1.009 -3.407 -1.616 1.00 0.00 C ATOM 1335 O ASP A 92 -0.941 -4.432 -0.970 1.00 0.00 O ATOM 1336 CB ASP A 92 1.010 -1.967 -2.393 1.00 0.00 C ATOM 1337 CG ASP A 92 2.307 -2.780 -2.106 1.00 0.00 C ATOM 1338 OD1 ASP A 92 2.288 -3.994 -2.274 1.00 0.00 O ATOM 1339 OD2 ASP A 92 3.269 -2.122 -1.712 1.00 0.00 O ATOM 0 H ASP A 92 0.875 -2.960 0.575 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.866 -1.503 -1.104 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.596 -2.259 -3.358 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.245 -0.905 -2.456 1.00 0.00 H new ATOM 1344 N LEU A 93 -1.905 -3.296 -2.606 1.00 0.00 N ATOM 1345 CA LEU A 93 -2.767 -4.538 -2.888 1.00 0.00 C ATOM 1346 C LEU A 93 -2.455 -4.781 -4.366 1.00 0.00 C ATOM 1347 O LEU A 93 -3.218 -4.441 -5.232 1.00 0.00 O ATOM 1348 CB LEU A 93 -4.420 -4.361 -2.598 1.00 0.00 C ATOM 1349 CG LEU A 93 -5.466 -3.337 -3.241 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -5.448 -3.311 -4.707 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -6.880 -3.704 -2.829 1.00 0.00 C ATOM 0 H LEU A 93 -2.072 -2.475 -3.188 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.531 -5.365 -2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.842 -5.346 -2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.495 -4.193 -1.524 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.165 -2.357 -2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.185 -2.593 -5.067 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.457 -3.019 -5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.689 -4.302 -5.091 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.583 -2.999 -3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -7.110 -4.712 -3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.964 -3.665 -1.743 1.00 0.00 H new ATOM 1363 N ASP A 94 -1.233 -5.263 -4.439 1.00 0.00 N ATOM 1364 CA ASP A 94 -0.354 -5.686 -5.544 1.00 0.00 C ATOM 1365 C ASP A 94 -0.163 -7.050 -6.220 1.00 0.00 C ATOM 1366 O ASP A 94 -0.860 -7.567 -7.063 1.00 0.00 O ATOM 1367 CB ASP A 94 1.010 -4.976 -5.093 1.00 0.00 C ATOM 1368 CG ASP A 94 0.883 -3.476 -5.367 1.00 0.00 C ATOM 1369 OD1 ASP A 94 -0.188 -3.019 -5.717 1.00 0.00 O ATOM 1370 OD2 ASP A 94 1.907 -2.859 -5.215 1.00 0.00 O ATOM 0 H ASP A 94 -0.730 -5.396 -3.562 1.00 0.00 H new ATOM 0 HA ASP A 94 -0.929 -5.445 -6.438 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.199 -5.154 -4.034 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.855 -5.392 -5.642 1.00 0.00 H new ATOM 1375 N TRP A 95 0.955 -7.517 -5.692 1.00 0.00 N ATOM 1376 CA TRP A 95 1.734 -8.769 -5.894 1.00 0.00 C ATOM 1377 C TRP A 95 2.390 -8.837 -7.281 1.00 0.00 C ATOM 1378 O TRP A 95 3.471 -9.357 -7.458 1.00 0.00 O ATOM 1379 CB TRP A 95 0.838 -9.962 -5.698 1.00 0.00 C ATOM 1380 CG TRP A 95 1.874 -11.110 -5.555 1.00 0.00 C ATOM 1381 CD1 TRP A 95 2.618 -11.408 -4.443 1.00 0.00 C ATOM 1382 CD2 TRP A 95 2.232 -11.952 -6.532 1.00 0.00 C ATOM 1383 NE1 TRP A 95 3.377 -12.419 -4.835 1.00 0.00 N ATOM 1384 CE2 TRP A 95 3.208 -12.808 -6.088 1.00 0.00 C ATOM 1385 CE3 TRP A 95 1.775 -12.017 -7.824 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 3.733 -13.733 -6.951 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 2.299 -12.941 -8.691 1.00 0.00 C ATOM 1388 CH2 TRP A 95 3.283 -13.800 -8.252 1.00 0.00 C ATOM 0 H TRP A 95 1.429 -6.944 -4.994 1.00 0.00 H new ATOM 0 HA TRP A 95 2.536 -8.774 -5.156 1.00 0.00 H new ATOM 0 HB2 TRP A 95 0.211 -9.863 -4.812 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.170 -10.116 -6.545 1.00 0.00 H new ATOM 0 HD1 TRP A 95 2.591 -10.930 -3.475 1.00 0.00 H new ATOM 0 HE1 TRP A 95 4.048 -12.869 -4.212 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.002 -11.340 -8.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.501 -14.412 -6.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 1.944 -12.995 -9.709 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.703 -14.528 -8.930 1.00 0.00 H new ATOM 1399 N ASP A 96 1.697 -8.300 -8.224 1.00 0.00 N ATOM 1400 CA ASP A 96 2.211 -8.295 -9.631 1.00 0.00 C ATOM 1401 C ASP A 96 2.092 -6.926 -10.303 1.00 0.00 C ATOM 1402 O ASP A 96 2.384 -6.784 -11.476 1.00 0.00 O ATOM 1403 CB ASP A 96 1.416 -9.406 -10.366 1.00 0.00 C ATOM 1404 CG ASP A 96 -0.040 -9.379 -9.931 1.00 0.00 C ATOM 1405 OD1 ASP A 96 -0.596 -8.295 -9.931 1.00 0.00 O ATOM 1406 OD2 ASP A 96 -0.523 -10.457 -9.622 1.00 0.00 O ATOM 0 H ASP A 96 0.787 -7.857 -8.095 1.00 0.00 H new ATOM 0 HA ASP A 96 3.282 -8.496 -9.661 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.485 -9.261 -11.444 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.851 -10.381 -10.147 1.00 0.00 H new ATOM 1411 N THR A 97 1.644 -5.955 -9.560 1.00 0.00 N ATOM 1412 CA THR A 97 1.481 -4.552 -10.077 1.00 0.00 C ATOM 1413 C THR A 97 2.760 -3.658 -9.879 1.00 0.00 C ATOM 1414 O THR A 97 3.293 -3.160 -10.851 1.00 0.00 O ATOM 1415 CB THR A 97 0.251 -3.954 -9.369 1.00 0.00 C ATOM 1416 OG1 THR A 97 0.782 -3.770 -8.083 1.00 0.00 O ATOM 1417 CG2 THR A 97 -0.872 -5.024 -9.139 1.00 0.00 C ATOM 0 H THR A 97 1.373 -6.072 -8.584 1.00 0.00 H new ATOM 0 HA THR A 97 1.338 -4.580 -11.157 1.00 0.00 H new ATOM 0 HB THR A 97 -0.165 -3.106 -9.913 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.051 -3.714 -7.432 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.720 -4.559 -8.637 1.00 0.00 H new ATOM 0 HG22 THR A 97 -1.194 -5.425 -10.100 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.483 -5.832 -8.520 1.00 0.00 H new ATOM 1425 N VAL A 98 3.174 -3.440 -8.642 1.00 0.00 N ATOM 1426 CA VAL A 98 4.382 -2.617 -8.261 1.00 0.00 C ATOM 1427 C VAL A 98 5.798 -3.206 -8.105 1.00 0.00 C ATOM 1428 O VAL A 98 6.681 -3.035 -8.917 1.00 0.00 O ATOM 1429 CB VAL A 98 4.045 -1.877 -6.947 1.00 0.00 C ATOM 1430 CG1 VAL A 98 5.194 -0.985 -6.403 1.00 0.00 C ATOM 1431 CG2 VAL A 98 2.837 -0.972 -7.195 1.00 0.00 C ATOM 0 H VAL A 98 2.689 -3.826 -7.832 1.00 0.00 H new ATOM 0 HA VAL A 98 4.511 -2.033 -9.172 1.00 0.00 H new ATOM 0 HB VAL A 98 3.856 -2.650 -6.202 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.874 -0.503 -5.479 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.071 -1.602 -6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.445 -0.224 -7.142 1.00 0.00 H new ATOM 0 HG21 VAL A 98 2.585 -0.441 -6.277 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.077 -0.251 -7.976 1.00 0.00 H new ATOM 0 HG23 VAL A 98 1.987 -1.578 -7.509 1.00 0.00 H new ATOM 1441 N PHE A 99 5.946 -3.925 -7.018 1.00 0.00 N ATOM 1442 CA PHE A 99 7.282 -4.571 -6.647 1.00 0.00 C ATOM 1443 C PHE A 99 8.015 -5.470 -7.672 1.00 0.00 C ATOM 1444 O PHE A 99 8.946 -5.025 -8.334 1.00 0.00 O ATOM 1445 CB PHE A 99 7.061 -5.363 -5.283 1.00 0.00 C ATOM 1446 CG PHE A 99 8.403 -5.538 -4.514 1.00 0.00 C ATOM 1447 CD1 PHE A 99 8.963 -4.429 -3.896 1.00 0.00 C ATOM 1448 CD2 PHE A 99 9.084 -6.747 -4.419 1.00 0.00 C ATOM 1449 CE1 PHE A 99 10.161 -4.512 -3.203 1.00 0.00 C ATOM 1450 CE2 PHE A 99 10.280 -6.827 -3.729 1.00 0.00 C ATOM 1451 CZ PHE A 99 10.817 -5.715 -3.125 1.00 0.00 C ATOM 0 H PHE A 99 5.195 -4.104 -6.351 1.00 0.00 H new ATOM 0 HA PHE A 99 7.973 -3.730 -6.585 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.347 -4.826 -4.658 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.628 -6.341 -5.493 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.454 -3.479 -3.956 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.676 -7.630 -4.888 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.575 -3.635 -2.727 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.797 -7.773 -3.664 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.753 -5.788 -2.591 1.00 0.00 H new ATOM 1461 N THR A 100 7.593 -6.705 -7.790 1.00 0.00 N ATOM 1462 CA THR A 100 8.247 -7.658 -8.770 1.00 0.00 C ATOM 1463 C THR A 100 8.134 -7.040 -10.185 1.00 0.00 C ATOM 1464 O THR A 100 8.831 -7.376 -11.122 1.00 0.00 O ATOM 1465 CB THR A 100 7.530 -9.080 -8.748 1.00 0.00 C ATOM 1466 OG1 THR A 100 6.819 -9.154 -9.968 1.00 0.00 O ATOM 1467 CG2 THR A 100 6.332 -9.228 -7.770 1.00 0.00 C ATOM 0 H THR A 100 6.823 -7.104 -7.253 1.00 0.00 H new ATOM 0 HA THR A 100 9.291 -7.806 -8.493 1.00 0.00 H new ATOM 0 HB THR A 100 8.319 -9.794 -8.511 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.351 -10.013 -10.022 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.925 -10.237 -7.843 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.670 -9.046 -6.750 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.559 -8.505 -8.030 1.00 0.00 H new ATOM 1475 N LYS A 101 7.214 -6.117 -10.266 1.00 0.00 N ATOM 1476 CA LYS A 101 6.943 -5.398 -11.519 1.00 0.00 C ATOM 1477 C LYS A 101 8.031 -4.454 -11.947 1.00 0.00 C ATOM 1478 O LYS A 101 8.518 -4.555 -13.054 1.00 0.00 O ATOM 1479 CB LYS A 101 5.674 -4.621 -11.342 1.00 0.00 C ATOM 1480 CG LYS A 101 4.644 -5.381 -12.100 1.00 0.00 C ATOM 1481 CD LYS A 101 4.809 -5.180 -13.645 1.00 0.00 C ATOM 1482 CE LYS A 101 3.666 -5.940 -14.259 1.00 0.00 C ATOM 1483 NZ LYS A 101 2.430 -5.321 -13.692 1.00 0.00 N ATOM 0 H LYS A 101 6.626 -5.831 -9.483 1.00 0.00 H new ATOM 0 HA LYS A 101 6.873 -6.151 -12.304 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.407 -4.538 -10.289 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.777 -3.606 -11.726 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.721 -6.441 -11.859 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.650 -5.056 -11.793 1.00 0.00 H new ATOM 0 HD2 LYS A 101 4.770 -4.124 -13.912 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.769 -5.562 -13.993 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.681 -5.863 -15.346 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.722 -7.001 -14.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.659 -5.385 -14.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.156 -5.825 -12.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.613 -4.322 -13.469 1.00 0.00 H new ATOM 1497 N ILE A 102 8.348 -3.554 -11.054 1.00 0.00 N ATOM 1498 CA ILE A 102 9.413 -2.580 -11.383 1.00 0.00 C ATOM 1499 C ILE A 102 10.653 -3.388 -11.756 1.00 0.00 C ATOM 1500 O ILE A 102 11.099 -3.281 -12.882 1.00 0.00 O ATOM 1501 CB ILE A 102 9.586 -1.609 -10.125 1.00 0.00 C ATOM 1502 CG1 ILE A 102 9.749 -2.199 -8.667 1.00 0.00 C ATOM 1503 CG2 ILE A 102 8.311 -0.733 -10.142 1.00 0.00 C ATOM 1504 CD1 ILE A 102 10.514 -1.156 -7.832 1.00 0.00 C ATOM 0 H ILE A 102 7.923 -3.456 -10.132 1.00 0.00 H new ATOM 0 HA ILE A 102 9.189 -1.935 -12.233 1.00 0.00 H new ATOM 0 HB ILE A 102 10.552 -1.126 -10.270 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.774 -2.405 -8.225 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.293 -3.143 -8.693 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.341 -0.031 -9.309 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.261 -0.181 -11.080 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.431 -1.369 -10.049 1.00 0.00 H new ATOM 0 HD11 ILE A 102 10.646 -1.529 -6.816 1.00 0.00 H new ATOM 0 HD12 ILE A 102 11.490 -0.975 -8.282 1.00 0.00 H new ATOM 0 HD13 ILE A 102 9.948 -0.225 -7.806 1.00 0.00 H new ATOM 1516 N ASP A 103 11.193 -4.146 -10.845 1.00 0.00 N ATOM 1517 CA ASP A 103 12.402 -4.946 -11.244 1.00 0.00 C ATOM 1518 C ASP A 103 12.656 -6.127 -10.304 1.00 0.00 C ATOM 1519 O ASP A 103 12.299 -7.279 -10.495 1.00 0.00 O ATOM 1520 CB ASP A 103 13.659 -3.977 -11.322 1.00 0.00 C ATOM 1521 CG ASP A 103 14.896 -4.854 -11.586 1.00 0.00 C ATOM 1522 OD1 ASP A 103 14.868 -5.557 -12.582 1.00 0.00 O ATOM 1523 OD2 ASP A 103 15.779 -4.755 -10.753 1.00 0.00 O ATOM 0 H ASP A 103 10.875 -4.251 -9.882 1.00 0.00 H new ATOM 0 HA ASP A 103 12.221 -5.384 -12.226 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.530 -3.244 -12.118 1.00 0.00 H new ATOM 0 HB3 ASP A 103 13.774 -3.420 -10.392 1.00 0.00 H new ATOM 1528 N THR A 104 13.326 -5.665 -9.282 1.00 0.00 N ATOM 1529 CA THR A 104 13.813 -6.406 -8.089 1.00 0.00 C ATOM 1530 C THR A 104 12.989 -7.685 -7.959 1.00 0.00 C ATOM 1531 O THR A 104 11.903 -7.746 -7.410 1.00 0.00 O ATOM 1532 CB THR A 104 13.709 -5.428 -6.836 1.00 0.00 C ATOM 1533 OG1 THR A 104 12.852 -5.957 -5.836 1.00 0.00 O ATOM 1534 CG2 THR A 104 12.921 -4.132 -7.133 1.00 0.00 C ATOM 0 H THR A 104 13.580 -4.678 -9.233 1.00 0.00 H new ATOM 0 HA THR A 104 14.856 -6.713 -8.166 1.00 0.00 H new ATOM 0 HB THR A 104 14.754 -5.280 -6.563 1.00 0.00 H new ATOM 0 HG1 THR A 104 12.105 -6.428 -6.261 1.00 0.00 H new ATOM 0 HG21 THR A 104 12.889 -3.512 -6.237 1.00 0.00 H new ATOM 0 HG22 THR A 104 13.413 -3.583 -7.936 1.00 0.00 H new ATOM 0 HG23 THR A 104 11.905 -4.385 -7.435 1.00 0.00 H new ATOM 1542 N ASN A 105 13.567 -8.723 -8.468 1.00 0.00 N ATOM 1543 CA ASN A 105 12.845 -10.040 -8.415 1.00 0.00 C ATOM 1544 C ASN A 105 12.987 -10.686 -7.038 1.00 0.00 C ATOM 1545 O ASN A 105 12.021 -11.102 -6.427 1.00 0.00 O ATOM 1546 CB ASN A 105 13.453 -10.939 -9.520 1.00 0.00 C ATOM 1547 CG ASN A 105 14.926 -11.145 -9.200 1.00 0.00 C ATOM 1548 OD1 ASN A 105 15.685 -10.217 -9.043 1.00 0.00 O ATOM 1549 ND2 ASN A 105 15.415 -12.323 -9.063 1.00 0.00 N ATOM 0 H ASN A 105 14.485 -8.734 -8.912 1.00 0.00 H new ATOM 0 HA ASN A 105 11.777 -9.900 -8.584 1.00 0.00 H new ATOM 0 HB2 ASN A 105 12.934 -11.897 -9.561 1.00 0.00 H new ATOM 0 HB3 ASN A 105 13.337 -10.472 -10.498 1.00 0.00 H new ATOM 0 HD21 ASN A 105 16.401 -12.442 -8.832 1.00 0.00 H new ATOM 0 HD22 ASN A 105 14.817 -13.141 -9.185 1.00 0.00 H new ATOM 1556 N GLY A 106 14.216 -10.737 -6.606 1.00 0.00 N ATOM 1557 CA GLY A 106 14.560 -11.334 -5.275 1.00 0.00 C ATOM 1558 C GLY A 106 15.328 -10.386 -4.366 1.00 0.00 C ATOM 1559 O GLY A 106 15.022 -10.324 -3.193 1.00 0.00 O ATOM 0 H GLY A 106 15.018 -10.383 -7.128 1.00 0.00 H new ATOM 0 HA2 GLY A 106 13.641 -11.640 -4.775 1.00 0.00 H new ATOM 0 HA3 GLY A 106 15.153 -12.235 -5.432 1.00 0.00 H new ATOM 1563 N ILE A 107 16.289 -9.686 -4.934 1.00 0.00 N ATOM 1564 CA ILE A 107 17.165 -8.709 -4.212 1.00 0.00 C ATOM 1565 C ILE A 107 16.511 -8.273 -2.903 1.00 0.00 C ATOM 1566 O ILE A 107 16.899 -8.695 -1.833 1.00 0.00 O ATOM 1567 CB ILE A 107 17.412 -7.518 -5.206 1.00 0.00 C ATOM 1568 CG1 ILE A 107 17.955 -7.978 -6.600 1.00 0.00 C ATOM 1569 CG2 ILE A 107 18.411 -6.511 -4.589 1.00 0.00 C ATOM 1570 CD1 ILE A 107 19.132 -8.994 -6.472 1.00 0.00 C ATOM 0 H ILE A 107 16.509 -9.762 -5.927 1.00 0.00 H new ATOM 0 HA ILE A 107 18.121 -9.146 -3.924 1.00 0.00 H new ATOM 0 HB ILE A 107 16.441 -7.052 -5.370 1.00 0.00 H new ATOM 0 HG12 ILE A 107 17.145 -8.433 -7.170 1.00 0.00 H new ATOM 0 HG13 ILE A 107 18.290 -7.106 -7.162 1.00 0.00 H new ATOM 0 HG21 ILE A 107 18.576 -5.689 -5.285 1.00 0.00 H new ATOM 0 HG22 ILE A 107 18.004 -6.120 -3.656 1.00 0.00 H new ATOM 0 HG23 ILE A 107 19.358 -7.013 -4.390 1.00 0.00 H new ATOM 0 HD11 ILE A 107 19.473 -9.283 -7.466 1.00 0.00 H new ATOM 0 HD12 ILE A 107 19.954 -8.531 -5.926 1.00 0.00 H new ATOM 0 HD13 ILE A 107 18.792 -9.879 -5.934 1.00 0.00 H new ATOM 1582 N GLY A 108 15.502 -7.460 -3.049 1.00 0.00 N ATOM 1583 CA GLY A 108 14.755 -6.941 -1.845 1.00 0.00 C ATOM 1584 C GLY A 108 14.225 -8.094 -0.978 1.00 0.00 C ATOM 1585 O GLY A 108 14.545 -8.219 0.187 1.00 0.00 O ATOM 0 H GLY A 108 15.154 -7.126 -3.948 1.00 0.00 H new ATOM 0 HA2 GLY A 108 15.414 -6.309 -1.250 1.00 0.00 H new ATOM 0 HA3 GLY A 108 13.923 -6.316 -2.171 1.00 0.00 H new ATOM 1589 N TYR A 109 13.435 -8.921 -1.603 1.00 0.00 N ATOM 1590 CA TYR A 109 12.826 -10.095 -0.899 1.00 0.00 C ATOM 1591 C TYR A 109 13.869 -10.890 -0.045 1.00 0.00 C ATOM 1592 O TYR A 109 13.543 -11.404 1.005 1.00 0.00 O ATOM 1593 CB TYR A 109 12.178 -10.992 -1.984 1.00 0.00 C ATOM 1594 CG TYR A 109 11.316 -12.106 -1.353 1.00 0.00 C ATOM 1595 CD1 TYR A 109 10.019 -11.841 -0.955 1.00 0.00 C ATOM 1596 CD2 TYR A 109 11.810 -13.383 -1.175 1.00 0.00 C ATOM 1597 CE1 TYR A 109 9.232 -12.828 -0.395 1.00 0.00 C ATOM 1598 CE2 TYR A 109 11.019 -14.368 -0.615 1.00 0.00 C ATOM 1599 CZ TYR A 109 9.732 -14.094 -0.225 1.00 0.00 C ATOM 1600 OH TYR A 109 8.948 -15.084 0.326 1.00 0.00 O ATOM 0 H TYR A 109 13.179 -8.836 -2.587 1.00 0.00 H new ATOM 0 HA TYR A 109 12.078 -9.749 -0.186 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.560 -10.381 -2.642 1.00 0.00 H new ATOM 0 HB3 TYR A 109 12.957 -11.439 -2.602 1.00 0.00 H new ATOM 0 HD1 TYR A 109 9.615 -10.848 -1.084 1.00 0.00 H new ATOM 0 HD2 TYR A 109 12.821 -13.614 -1.475 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.221 -12.603 -0.090 1.00 0.00 H new ATOM 0 HE2 TYR A 109 11.417 -15.363 -0.483 1.00 0.00 H new ATOM 0 HH TYR A 109 9.459 -15.919 0.372 1.00 0.00 H new ATOM 1610 N GLN A 110 15.085 -10.947 -0.538 1.00 0.00 N ATOM 1611 CA GLN A 110 16.194 -11.681 0.161 1.00 0.00 C ATOM 1612 C GLN A 110 16.713 -10.974 1.429 1.00 0.00 C ATOM 1613 O GLN A 110 17.287 -11.606 2.297 1.00 0.00 O ATOM 1614 CB GLN A 110 17.338 -11.869 -0.861 1.00 0.00 C ATOM 1615 CG GLN A 110 18.397 -12.825 -0.239 1.00 0.00 C ATOM 1616 CD GLN A 110 19.547 -13.096 -1.196 1.00 0.00 C ATOM 1617 OE1 GLN A 110 19.397 -13.587 -2.292 1.00 0.00 O ATOM 1618 NE2 GLN A 110 20.751 -12.800 -0.836 1.00 0.00 N ATOM 0 H GLN A 110 15.362 -10.506 -1.415 1.00 0.00 H new ATOM 0 HA GLN A 110 15.802 -12.636 0.513 1.00 0.00 H new ATOM 0 HB2 GLN A 110 16.951 -12.285 -1.791 1.00 0.00 H new ATOM 0 HB3 GLN A 110 17.791 -10.908 -1.105 1.00 0.00 H new ATOM 0 HG2 GLN A 110 18.785 -12.388 0.681 1.00 0.00 H new ATOM 0 HG3 GLN A 110 17.921 -13.767 0.032 1.00 0.00 H new ATOM 0 HE21 GLN A 110 20.922 -12.384 0.080 1.00 0.00 H new ATOM 0 HE22 GLN A 110 21.531 -12.982 -1.467 1.00 0.00 H new ATOM 1627 N GLN A 111 16.509 -9.689 1.502 1.00 0.00 N ATOM 1628 CA GLN A 111 16.968 -8.908 2.703 1.00 0.00 C ATOM 1629 C GLN A 111 15.714 -8.813 3.608 1.00 0.00 C ATOM 1630 O GLN A 111 15.783 -8.799 4.825 1.00 0.00 O ATOM 1631 CB GLN A 111 17.427 -7.493 2.270 1.00 0.00 C ATOM 1632 CG GLN A 111 18.331 -6.883 3.412 1.00 0.00 C ATOM 1633 CD GLN A 111 19.790 -7.377 3.338 1.00 0.00 C ATOM 1634 OE1 GLN A 111 20.115 -8.386 2.754 1.00 0.00 O ATOM 1635 NE2 GLN A 111 20.716 -6.688 3.927 1.00 0.00 N ATOM 0 H GLN A 111 16.043 -9.136 0.783 1.00 0.00 H new ATOM 0 HA GLN A 111 17.810 -9.377 3.211 1.00 0.00 H new ATOM 0 HB2 GLN A 111 17.984 -7.546 1.335 1.00 0.00 H new ATOM 0 HB3 GLN A 111 16.563 -6.854 2.090 1.00 0.00 H new ATOM 0 HG2 GLN A 111 18.315 -5.795 3.341 1.00 0.00 H new ATOM 0 HG3 GLN A 111 17.911 -7.146 4.383 1.00 0.00 H new ATOM 0 HE21 GLN A 111 20.475 -5.833 4.428 1.00 0.00 H new ATOM 0 HE22 GLN A 111 21.686 -7.001 3.890 1.00 0.00 H new ATOM 1644 N GLY A 112 14.593 -8.743 2.927 1.00 0.00 N ATOM 1645 CA GLY A 112 13.233 -8.653 3.548 1.00 0.00 C ATOM 1646 C GLY A 112 12.439 -7.508 2.948 1.00 0.00 C ATOM 1647 O GLY A 112 11.268 -7.657 2.663 1.00 0.00 O ATOM 0 H GLY A 112 14.569 -8.745 1.907 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.697 -9.590 3.398 1.00 0.00 H new ATOM 0 HA3 GLY A 112 13.329 -8.510 4.624 1.00 0.00 H new ATOM 1651 N HIS A 113 13.098 -6.401 2.783 1.00 0.00 N ATOM 1652 CA HIS A 113 12.467 -5.166 2.205 1.00 0.00 C ATOM 1653 C HIS A 113 13.448 -4.288 1.422 1.00 0.00 C ATOM 1654 O HIS A 113 14.642 -4.498 1.465 1.00 0.00 O ATOM 1655 CB HIS A 113 11.892 -4.400 3.375 1.00 0.00 C ATOM 1656 CG HIS A 113 12.985 -4.294 4.442 1.00 0.00 C ATOM 1657 ND1 HIS A 113 12.989 -4.971 5.537 1.00 0.00 N ATOM 1658 CD2 HIS A 113 14.141 -3.541 4.506 1.00 0.00 C ATOM 1659 CE1 HIS A 113 14.046 -4.680 6.231 1.00 0.00 C ATOM 1660 NE2 HIS A 113 14.790 -3.791 5.624 1.00 0.00 N ATOM 0 H HIS A 113 14.081 -6.288 3.030 1.00 0.00 H new ATOM 0 HA HIS A 113 11.706 -5.455 1.480 1.00 0.00 H new ATOM 0 HB2 HIS A 113 11.567 -3.408 3.061 1.00 0.00 H new ATOM 0 HB3 HIS A 113 11.016 -4.911 3.774 1.00 0.00 H new ATOM 0 HD2 HIS A 113 14.467 -2.846 3.747 1.00 0.00 H new ATOM 0 HE1 HIS A 113 14.282 -5.117 7.190 1.00 0.00 H new ATOM 0 HE2 HIS A 113 15.670 -3.385 5.943 1.00 0.00 H new ATOM 1668 N LEU A 114 12.943 -3.316 0.720 1.00 0.00 N ATOM 1669 CA LEU A 114 13.838 -2.417 -0.057 1.00 0.00 C ATOM 1670 C LEU A 114 13.413 -0.991 0.326 1.00 0.00 C ATOM 1671 O LEU A 114 12.611 -0.742 1.205 1.00 0.00 O ATOM 1672 CB LEU A 114 13.641 -2.752 -1.591 1.00 0.00 C ATOM 1673 CG LEU A 114 14.514 -1.854 -2.546 1.00 0.00 C ATOM 1674 CD1 LEU A 114 16.004 -1.896 -2.152 1.00 0.00 C ATOM 1675 CD2 LEU A 114 14.463 -2.380 -3.967 1.00 0.00 C ATOM 0 H LEU A 114 11.948 -3.104 0.650 1.00 0.00 H new ATOM 0 HA LEU A 114 14.901 -2.536 0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 114 13.890 -3.799 -1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 114 12.589 -2.629 -1.850 1.00 0.00 H new ATOM 0 HG LEU A 114 14.110 -0.845 -2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 114 16.578 -1.266 -2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 114 16.121 -1.531 -1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 114 16.368 -2.922 -2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 114 15.072 -1.746 -4.612 1.00 0.00 H new ATOM 0 HD22 LEU A 114 14.848 -3.399 -3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 114 13.432 -2.373 -4.321 1.00 0.00 H new ATOM 1687 N ASN A 115 13.992 -0.061 -0.343 1.00 0.00 N ATOM 1688 CA ASN A 115 13.678 1.351 -0.103 1.00 0.00 C ATOM 1689 C ASN A 115 13.238 1.934 -1.453 1.00 0.00 C ATOM 1690 O ASN A 115 13.967 1.794 -2.413 1.00 0.00 O ATOM 1691 CB ASN A 115 14.946 1.986 0.420 1.00 0.00 C ATOM 1692 CG ASN A 115 14.747 3.462 0.604 1.00 0.00 C ATOM 1693 OD1 ASN A 115 13.570 3.965 0.613 1.00 0.00 O flip ATOM 1694 ND2 ASN A 115 15.670 4.220 0.750 1.00 0.00 N flip ATOM 0 H ASN A 115 14.691 -0.225 -1.068 1.00 0.00 H new ATOM 0 HA ASN A 115 12.882 1.520 0.622 1.00 0.00 H new ATOM 0 HB2 ASN A 115 15.226 1.528 1.369 1.00 0.00 H new ATOM 0 HB3 ASN A 115 15.766 1.806 -0.276 1.00 0.00 H new ATOM 0 HD21 ASN A 115 16.626 3.865 0.750 1.00 0.00 H new ATOM 0 HD22 ASN A 115 15.496 5.217 0.874 1.00 0.00 H new ATOM 1701 N VAL A 116 12.088 2.548 -1.539 1.00 0.00 N ATOM 1702 CA VAL A 116 11.667 3.131 -2.864 1.00 0.00 C ATOM 1703 C VAL A 116 11.196 4.575 -2.603 1.00 0.00 C ATOM 1704 O VAL A 116 11.034 4.984 -1.463 1.00 0.00 O ATOM 1705 CB VAL A 116 10.498 2.267 -3.556 1.00 0.00 C ATOM 1706 CG1 VAL A 116 10.935 0.784 -3.756 1.00 0.00 C ATOM 1707 CG2 VAL A 116 9.142 2.323 -2.835 1.00 0.00 C ATOM 0 H VAL A 116 11.428 2.674 -0.771 1.00 0.00 H new ATOM 0 HA VAL A 116 12.509 3.116 -3.556 1.00 0.00 H new ATOM 0 HB VAL A 116 10.342 2.742 -4.524 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.125 0.226 -4.225 1.00 0.00 H new ATOM 0 HG12 VAL A 116 11.818 0.748 -4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.169 0.340 -2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.418 1.712 -3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 116 9.254 1.943 -1.820 1.00 0.00 H new ATOM 0 HG23 VAL A 116 8.791 3.354 -2.800 1.00 0.00 H new ATOM 1717 N ASN A 117 10.990 5.307 -3.666 1.00 0.00 N ATOM 1718 CA ASN A 117 10.534 6.732 -3.547 1.00 0.00 C ATOM 1719 C ASN A 117 9.223 6.974 -4.333 1.00 0.00 C ATOM 1720 O ASN A 117 9.070 6.403 -5.404 1.00 0.00 O ATOM 1721 CB ASN A 117 11.674 7.639 -4.099 1.00 0.00 C ATOM 1722 CG ASN A 117 12.982 7.391 -3.369 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.015 7.116 -2.201 1.00 0.00 O ATOM 1724 ND2 ASN A 117 14.116 7.478 -3.966 1.00 0.00 N ATOM 0 H ASN A 117 11.118 4.979 -4.623 1.00 0.00 H new ATOM 0 HA ASN A 117 10.325 6.966 -2.503 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.808 7.449 -5.164 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.390 8.686 -3.995 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.979 7.316 -3.447 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.153 7.709 -4.959 1.00 0.00 H new ATOM 1731 N TYR A 118 8.329 7.792 -3.810 1.00 0.00 N ATOM 1732 CA TYR A 118 7.061 8.045 -4.560 1.00 0.00 C ATOM 1733 C TYR A 118 6.530 9.484 -4.460 1.00 0.00 C ATOM 1734 O TYR A 118 6.726 10.213 -3.500 1.00 0.00 O ATOM 1735 CB TYR A 118 5.968 7.055 -4.065 1.00 0.00 C ATOM 1736 CG TYR A 118 5.464 7.287 -2.621 1.00 0.00 C ATOM 1737 CD1 TYR A 118 4.585 8.311 -2.297 1.00 0.00 C ATOM 1738 CD2 TYR A 118 5.877 6.437 -1.620 1.00 0.00 C ATOM 1739 CE1 TYR A 118 4.134 8.465 -0.993 1.00 0.00 C ATOM 1740 CE2 TYR A 118 5.426 6.594 -0.327 1.00 0.00 C ATOM 1741 CZ TYR A 118 4.555 7.602 -0.006 1.00 0.00 C ATOM 1742 OH TYR A 118 4.109 7.726 1.290 1.00 0.00 O ATOM 0 H TYR A 118 8.423 8.281 -2.920 1.00 0.00 H new ATOM 0 HA TYR A 118 7.299 7.890 -5.612 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.116 7.113 -4.742 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.362 6.041 -4.135 1.00 0.00 H new ATOM 0 HD1 TYR A 118 4.250 8.993 -3.065 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.564 5.636 -1.851 1.00 0.00 H new ATOM 0 HE1 TYR A 118 3.450 9.265 -0.752 1.00 0.00 H new ATOM 0 HE2 TYR A 118 5.763 5.915 0.442 1.00 0.00 H new ATOM 0 HH TYR A 118 3.960 8.673 1.495 1.00 0.00 H new ATOM 1752 N GLN A 119 5.863 9.819 -5.525 1.00 0.00 N ATOM 1753 CA GLN A 119 5.239 11.165 -5.668 1.00 0.00 C ATOM 1754 C GLN A 119 3.740 11.047 -5.923 1.00 0.00 C ATOM 1755 O GLN A 119 3.346 10.230 -6.737 1.00 0.00 O ATOM 1756 CB GLN A 119 5.922 11.870 -6.846 1.00 0.00 C ATOM 1757 CG GLN A 119 7.181 12.644 -6.401 1.00 0.00 C ATOM 1758 CD GLN A 119 6.840 13.990 -5.772 1.00 0.00 C ATOM 1759 OE1 GLN A 119 5.703 14.230 -5.213 1.00 0.00 O flip ATOM 1760 NE2 GLN A 119 7.638 14.893 -5.768 1.00 0.00 N flip ATOM 0 H GLN A 119 5.719 9.202 -6.324 1.00 0.00 H new ATOM 0 HA GLN A 119 5.369 11.735 -4.748 1.00 0.00 H new ATOM 0 HB2 GLN A 119 6.197 11.133 -7.601 1.00 0.00 H new ATOM 0 HB3 GLN A 119 5.219 12.559 -7.314 1.00 0.00 H new ATOM 0 HG2 GLN A 119 7.741 12.042 -5.685 1.00 0.00 H new ATOM 0 HG3 GLN A 119 7.831 12.802 -7.262 1.00 0.00 H new ATOM 0 HE21 GLN A 119 8.555 14.765 -6.195 1.00 0.00 H new ATOM 0 HE22 GLN A 119 7.396 15.786 -5.338 1.00 0.00 H new ATOM 1769 N PHE A 120 2.944 11.843 -5.245 1.00 0.00 N ATOM 1770 CA PHE A 120 1.474 11.726 -5.520 1.00 0.00 C ATOM 1771 C PHE A 120 1.354 12.429 -6.881 1.00 0.00 C ATOM 1772 O PHE A 120 1.603 13.604 -7.069 1.00 0.00 O ATOM 1773 CB PHE A 120 0.588 12.490 -4.522 1.00 0.00 C ATOM 1774 CG PHE A 120 0.530 11.863 -3.117 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.651 11.810 -2.324 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -0.657 11.361 -2.617 1.00 0.00 C ATOM 1777 CE1 PHE A 120 1.596 11.268 -1.049 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -0.716 10.820 -1.349 1.00 0.00 C ATOM 1779 CZ PHE A 120 0.407 10.770 -0.559 1.00 0.00 C ATOM 0 H PHE A 120 3.227 12.533 -4.549 1.00 0.00 H new ATOM 0 HA PHE A 120 1.146 10.688 -5.466 1.00 0.00 H new ATOM 0 HB2 PHE A 120 0.956 13.512 -4.436 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -0.424 12.548 -4.923 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.587 12.196 -2.699 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.548 11.393 -3.226 1.00 0.00 H new ATOM 0 HE1 PHE A 120 2.486 11.236 -0.438 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.652 10.433 -0.975 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.359 10.346 0.433 1.00 0.00 H new ATOM 1789 N VAL A 121 0.946 11.615 -7.794 1.00 0.00 N ATOM 1790 CA VAL A 121 0.748 12.007 -9.226 1.00 0.00 C ATOM 1791 C VAL A 121 -0.644 11.582 -9.728 1.00 0.00 C ATOM 1792 O VAL A 121 -1.019 10.452 -9.493 1.00 0.00 O ATOM 1793 CB VAL A 121 1.913 11.302 -10.001 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.419 10.346 -11.114 1.00 0.00 C ATOM 1795 CG2 VAL A 121 2.894 12.303 -10.611 1.00 0.00 C ATOM 0 H VAL A 121 0.726 10.637 -7.607 1.00 0.00 H new ATOM 0 HA VAL A 121 0.779 13.086 -9.374 1.00 0.00 H new ATOM 0 HB VAL A 121 2.425 10.709 -9.243 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.276 9.892 -11.610 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.799 9.565 -10.674 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.834 10.907 -11.842 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.683 11.765 -11.137 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.366 12.949 -11.312 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.334 12.909 -9.819 1.00 0.00 H new ATOM 1805 N ASP A 122 -1.413 12.409 -10.387 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.733 11.914 -10.847 1.00 0.00 C ATOM 1807 C ASP A 122 -2.560 11.299 -12.282 1.00 0.00 C ATOM 1808 O ASP A 122 -1.806 11.775 -13.111 1.00 0.00 O ATOM 1809 CB ASP A 122 -3.670 13.163 -10.738 1.00 0.00 C ATOM 1810 CG ASP A 122 -3.355 14.369 -11.630 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -2.200 14.771 -11.684 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -4.358 14.799 -12.178 1.00 0.00 O ATOM 0 H ASP A 122 -1.190 13.377 -10.619 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.172 11.105 -10.264 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -4.687 12.839 -10.958 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -3.660 13.500 -9.702 1.00 0.00 H new ATOM 1817 N CYS A 123 -3.261 10.217 -12.520 1.00 0.00 N ATOM 1818 CA CYS A 123 -3.203 9.513 -13.854 1.00 0.00 C ATOM 1819 C CYS A 123 -4.237 9.990 -14.897 1.00 0.00 C ATOM 1820 O CYS A 123 -4.069 9.799 -16.087 1.00 0.00 O ATOM 1821 CB CYS A 123 -3.410 7.997 -13.639 1.00 0.00 C ATOM 1822 SG CYS A 123 -2.127 6.937 -12.924 1.00 0.00 S ATOM 0 H CYS A 123 -3.883 9.780 -11.840 1.00 0.00 H new ATOM 0 HA CYS A 123 -2.220 9.753 -14.260 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.293 7.888 -13.009 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -3.659 7.574 -14.612 1.00 0.00 H new ATOM 1827 N ARG A 124 -5.274 10.597 -14.377 1.00 0.00 N ATOM 1828 CA ARG A 124 -6.417 11.133 -15.203 1.00 0.00 C ATOM 1829 C ARG A 124 -6.691 10.345 -16.527 1.00 0.00 C ATOM 1830 O ARG A 124 -6.651 10.895 -17.611 1.00 0.00 O ATOM 1831 CB ARG A 124 -6.094 12.657 -15.461 1.00 0.00 C ATOM 1832 CG ARG A 124 -6.305 13.498 -14.142 1.00 0.00 C ATOM 1833 CD ARG A 124 -7.779 13.933 -13.981 1.00 0.00 C ATOM 1834 NE ARG A 124 -7.946 14.466 -12.575 1.00 0.00 N ATOM 1835 CZ ARG A 124 -9.068 14.926 -12.142 1.00 0.00 C ATOM 1836 NH1 ARG A 124 -10.107 14.197 -12.228 1.00 0.00 N ATOM 1837 NH2 ARG A 124 -9.129 16.089 -11.637 1.00 0.00 N ATOM 0 H ARG A 124 -5.385 10.752 -13.375 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.351 11.007 -14.655 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -5.066 12.763 -15.807 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -6.738 13.042 -16.252 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -6.002 12.906 -13.279 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -5.664 14.379 -14.164 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -8.035 14.698 -14.714 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -8.448 13.090 -14.153 1.00 0.00 H new ATOM 0 HE ARG A 124 -7.141 14.461 -11.948 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -10.043 13.264 -12.635 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -11.004 14.546 -11.890 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -8.288 16.662 -11.573 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -10.019 16.450 -11.295 1.00 0.00 H new ATOM 1851 N ASP A 125 -6.971 9.074 -16.339 1.00 0.00 N ATOM 1852 CA ASP A 125 -7.271 8.130 -17.468 1.00 0.00 C ATOM 1853 C ASP A 125 -8.810 8.184 -17.705 1.00 0.00 C ATOM 1854 O ASP A 125 -9.548 8.202 -16.724 1.00 0.00 O ATOM 1855 CB ASP A 125 -6.777 6.703 -17.013 1.00 0.00 C ATOM 1856 CG ASP A 125 -6.835 5.618 -18.099 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -7.921 5.121 -18.326 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -5.781 5.325 -18.644 1.00 0.00 O ATOM 1859 OXT ASP A 125 -9.158 8.207 -18.875 1.00 0.00 O ATOM 0 H ASP A 125 -7.005 8.638 -15.417 1.00 0.00 H new ATOM 0 HA ASP A 125 -6.771 8.384 -18.403 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -5.749 6.787 -16.659 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -7.381 6.380 -16.165 1.00 0.00 H new TER 1864 ASP A 125