USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 855 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 21 ASN : amide:sc= -5.43! C(o=-4.3!,f=-15!) USER MOD Set 1.2: A 115 TYR OH : rot 63:sc= 1.14 USER MOD Set 2.1: A 88 HIS : no HE2:sc= -2.71! C(o=-4.3!,f=-20!) USER MOD Set 2.2: A 106 TYR OH : rot -110:sc= -1.55! USER MOD Set 3.1: A 71 HIS : no HD1:sc= -5.78! C(o=-5.8!,f=-12!) USER MOD Set 3.2: A 73 TYR OH : rot -34:sc= 0.0142 USER MOD Set 4.1: A 60 SER OG : rot 174:sc= 0.48 USER MOD Set 4.2: A 72 HIS : no HD1:sc= -5.66! C(o=-5.2!,f=-20!) USER MOD Set 5.1: A 9 GLN : amide:sc= -3.29! C(o=-5.1!,f=-11!) USER MOD Set 5.2: A 99 GLN : amide:sc= -1.77! C(o=-5.1!,f=-19!) USER MOD Single : A 5 SER OG : rot 13:sc= 0.702 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 12 ASN : amide:sc= -0.0338 K(o=-0.034,f=-0.84) USER MOD Single : A 16 SER OG : rot -111:sc= 0.999 USER MOD Single : A 17 MET CE :methyl 180:sc= -0.691 (180deg=-0.691) USER MOD Single : A 20 LYS NZ :NH3+ -178:sc= -0.308 (180deg=-0.558) USER MOD Single : A 22 LYS NZ :NH3+ 164:sc= -2.48! (180deg=-3.35!) USER MOD Single : A 26 SER OG : rot 101:sc= 0.917 USER MOD Single : A 29 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.26) USER MOD Single : A 30 CYS SG : rot 180:sc= -0.326 USER MOD Single : A 35 THR OG1 : rot -54:sc= 0.0386 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 168:sc= -0.338 (180deg=-0.99!) USER MOD Single : A 43 TYR OH : rot 145:sc= 1.21 USER MOD Single : A 61 THR OG1 : rot 54:sc= -1.67! USER MOD Single : A 62 LYS NZ :NH3+ 155:sc= -0.605 (180deg=-1.79!) USER MOD Single : A 63 LYS NZ :NH3+ -175:sc= 0.31 (180deg=0.0976) USER MOD Single : A 66 LYS NZ :NH3+ -158:sc= 0.71 (180deg=-0.118!) USER MOD Single : A 70 THR OG1 : rot 133:sc= 1.02 USER MOD Single : A 74 MET CE :methyl 146:sc= -0.681 (180deg=-2.57) USER MOD Single : A 77 HIS : no HD1:sc= -6.59! C(o=-6.6!,f=-6.8!) USER MOD Single : A 80 SER OG : rot 72:sc= -0.285 USER MOD Single : A 81 LYS NZ :NH3+ -152:sc= -4.89! (180deg=-6.95!) USER MOD Single : A 82 LYS NZ :NH3+ -169:sc= -0.43 (180deg=-0.608!) USER MOD Single : A 83 LYS NZ :NH3+ 160:sc= 0.677 (180deg=0.433) USER MOD Single : A 92 LYS NZ :NH3+ -176:sc= -0.0911 (180deg=-0.107) USER MOD Single : A 94 SER OG : rot -76:sc= 1.23 USER MOD Single : A 104 ASN : amide:sc= -2.83 X(o=-2.8,f=-2.9!) USER MOD Single : A 105 MET CE :methyl 146:sc= -3.68 (180deg=-7.47!) USER MOD Single : A 113 LYS NZ :NH3+ 178:sc= -1.1! (180deg=-1.19) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -163:sc= -0.153 (180deg=-0.937) USER MOD Single : A 121 LYS NZ :NH3+ 161:sc= -0.819 (180deg=-2.47!) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 5 1.942 -2.630 16.401 1.00 0.00 N ATOM 43 CA SER A 5 1.135 -1.691 15.625 1.00 0.00 C ATOM 44 C SER A 5 1.874 -1.133 14.406 1.00 0.00 C ATOM 45 O SER A 5 1.387 -0.212 13.760 1.00 0.00 O ATOM 46 CB SER A 5 0.671 -0.539 16.525 1.00 0.00 C ATOM 47 OG SER A 5 0.561 -1.009 17.879 1.00 0.00 O ATOM 0 HA SER A 5 0.276 -2.246 15.248 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.379 0.288 16.471 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.290 -0.158 16.181 1.00 0.00 H new ATOM 0 HG SER A 5 0.996 -1.884 17.958 1.00 0.00 H new ATOM 53 N GLY A 6 3.051 -1.661 14.109 1.00 0.00 N ATOM 54 CA GLY A 6 3.830 -1.154 12.988 1.00 0.00 C ATOM 55 C GLY A 6 3.029 -1.238 11.696 1.00 0.00 C ATOM 56 O GLY A 6 2.827 -0.231 11.018 1.00 0.00 O ATOM 0 H GLY A 6 3.484 -2.430 14.620 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.118 -0.120 13.177 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.751 -1.728 12.889 1.00 0.00 H new ATOM 60 N ASP A 7 2.463 -2.405 11.436 1.00 0.00 N ATOM 61 CA ASP A 7 1.602 -2.599 10.266 1.00 0.00 C ATOM 62 C ASP A 7 0.374 -1.717 10.360 1.00 0.00 C ATOM 63 O ASP A 7 -0.019 -1.063 9.394 1.00 0.00 O ATOM 64 CB ASP A 7 1.176 -4.079 10.164 1.00 0.00 C ATOM 65 CG ASP A 7 0.551 -4.593 11.472 1.00 0.00 C ATOM 66 OD1 ASP A 7 0.514 -3.857 12.446 1.00 0.00 O ATOM 67 OD2 ASP A 7 0.147 -5.735 11.493 1.00 0.00 O ATOM 0 H ASP A 7 2.580 -3.236 12.015 1.00 0.00 H new ATOM 0 HA ASP A 7 2.163 -2.324 9.373 1.00 0.00 H new ATOM 0 HB2 ASP A 7 0.460 -4.194 9.351 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.044 -4.689 9.913 1.00 0.00 H new ATOM 72 N THR A 8 -0.171 -1.646 11.545 1.00 0.00 N ATOM 73 CA THR A 8 -1.318 -0.820 11.823 1.00 0.00 C ATOM 74 C THR A 8 -0.958 0.643 11.566 1.00 0.00 C ATOM 75 O THR A 8 -1.666 1.370 10.853 1.00 0.00 O ATOM 76 CB THR A 8 -1.710 -1.032 13.290 1.00 0.00 C ATOM 77 OG1 THR A 8 -1.701 -2.435 13.586 1.00 0.00 O ATOM 78 CG2 THR A 8 -3.105 -0.459 13.557 1.00 0.00 C ATOM 0 H THR A 8 0.172 -2.165 12.354 1.00 0.00 H new ATOM 0 HA THR A 8 -2.157 -1.085 11.179 1.00 0.00 H new ATOM 0 HB THR A 8 -0.992 -0.516 13.928 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.950 -2.573 14.524 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.369 -0.617 14.603 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.107 0.609 13.340 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.833 -0.961 12.919 1.00 0.00 H new ATOM 86 N GLN A 9 0.190 1.039 12.085 1.00 0.00 N ATOM 87 CA GLN A 9 0.710 2.374 11.888 1.00 0.00 C ATOM 88 C GLN A 9 1.017 2.612 10.432 1.00 0.00 C ATOM 89 O GLN A 9 0.640 3.638 9.862 1.00 0.00 O ATOM 90 CB GLN A 9 1.994 2.539 12.708 1.00 0.00 C ATOM 91 CG GLN A 9 1.660 3.087 14.090 1.00 0.00 C ATOM 92 CD GLN A 9 1.721 4.597 14.053 1.00 0.00 C ATOM 93 OE1 GLN A 9 2.752 5.185 14.383 1.00 0.00 O ATOM 94 NE2 GLN A 9 0.702 5.261 13.624 1.00 0.00 N ATOM 0 H GLN A 9 0.787 0.440 12.656 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.039 3.096 12.212 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.502 1.579 12.801 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.679 3.214 12.195 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.666 2.758 14.394 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.363 2.700 14.828 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.149 4.769 13.352 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.747 6.278 13.557 1.00 0.00 H new ATOM 103 N LEU A 10 1.721 1.678 9.831 1.00 0.00 N ATOM 104 CA LEU A 10 2.101 1.822 8.447 1.00 0.00 C ATOM 105 C LEU A 10 0.896 1.843 7.545 1.00 0.00 C ATOM 106 O LEU A 10 0.859 2.600 6.584 1.00 0.00 O ATOM 107 CB LEU A 10 3.112 0.772 7.997 1.00 0.00 C ATOM 108 CG LEU A 10 4.447 0.979 8.735 1.00 0.00 C ATOM 109 CD1 LEU A 10 5.500 0.065 8.141 1.00 0.00 C ATOM 110 CD2 LEU A 10 4.915 2.442 8.639 1.00 0.00 C ATOM 0 H LEU A 10 2.039 0.817 10.277 1.00 0.00 H new ATOM 0 HA LEU A 10 2.601 2.787 8.366 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.726 -0.227 8.199 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.267 0.842 6.920 1.00 0.00 H new ATOM 0 HG LEU A 10 4.299 0.739 9.788 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.445 0.211 8.663 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.183 -0.973 8.248 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.630 0.298 7.084 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.860 2.557 9.170 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.051 2.712 7.592 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.165 3.094 9.087 1.00 0.00 H new ATOM 122 N PHE A 11 -0.096 1.025 7.852 1.00 0.00 N ATOM 123 CA PHE A 11 -1.298 0.996 7.039 1.00 0.00 C ATOM 124 C PHE A 11 -1.911 2.381 6.970 1.00 0.00 C ATOM 125 O PHE A 11 -2.128 2.922 5.885 1.00 0.00 O ATOM 126 CB PHE A 11 -2.309 0.029 7.662 1.00 0.00 C ATOM 127 CG PHE A 11 -3.656 0.176 6.981 1.00 0.00 C ATOM 128 CD1 PHE A 11 -3.916 -0.481 5.776 1.00 0.00 C ATOM 129 CD2 PHE A 11 -4.646 0.980 7.565 1.00 0.00 C ATOM 130 CE1 PHE A 11 -5.163 -0.337 5.156 1.00 0.00 C ATOM 131 CE2 PHE A 11 -5.889 1.124 6.944 1.00 0.00 C ATOM 132 CZ PHE A 11 -6.148 0.466 5.741 1.00 0.00 C ATOM 0 H PHE A 11 -0.094 0.383 8.644 1.00 0.00 H new ATOM 0 HA PHE A 11 -1.040 0.666 6.033 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.952 -0.996 7.563 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.408 0.231 8.729 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.156 -1.100 5.323 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.447 1.489 8.497 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.365 -0.846 4.225 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.649 1.744 7.395 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.109 0.577 5.261 1.00 0.00 H new ATOM 142 N ASN A 12 -2.106 2.987 8.126 1.00 0.00 N ATOM 143 CA ASN A 12 -2.672 4.328 8.184 1.00 0.00 C ATOM 144 C ASN A 12 -1.742 5.320 7.513 1.00 0.00 C ATOM 145 O ASN A 12 -2.169 6.178 6.728 1.00 0.00 O ATOM 146 CB ASN A 12 -2.893 4.727 9.638 1.00 0.00 C ATOM 147 CG ASN A 12 -4.006 3.881 10.237 1.00 0.00 C ATOM 148 OD1 ASN A 12 -5.022 3.633 9.578 1.00 0.00 O ATOM 149 ND2 ASN A 12 -3.875 3.395 11.432 1.00 0.00 N ATOM 0 H ASN A 12 -1.884 2.578 9.034 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.627 4.333 7.658 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.973 4.591 10.207 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.153 5.784 9.700 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.610 2.809 11.827 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.037 3.599 11.977 1.00 0.00 H new ATOM 156 N ARG A 13 -0.469 5.181 7.803 1.00 0.00 N ATOM 157 CA ARG A 13 0.549 6.034 7.225 1.00 0.00 C ATOM 158 C ARG A 13 0.662 5.818 5.719 1.00 0.00 C ATOM 159 O ARG A 13 0.762 6.770 4.959 1.00 0.00 O ATOM 160 CB ARG A 13 1.872 5.776 7.942 1.00 0.00 C ATOM 161 CG ARG A 13 1.760 6.374 9.353 1.00 0.00 C ATOM 162 CD ARG A 13 2.903 5.888 10.245 1.00 0.00 C ATOM 163 NE ARG A 13 3.177 6.821 11.360 1.00 0.00 N ATOM 164 CZ ARG A 13 2.244 7.392 12.148 1.00 0.00 C ATOM 165 NH1 ARG A 13 0.971 7.279 11.879 1.00 0.00 N ATOM 166 NH2 ARG A 13 2.632 8.095 13.173 1.00 0.00 N ATOM 0 H ARG A 13 -0.108 4.475 8.445 1.00 0.00 H new ATOM 0 HA ARG A 13 0.273 7.079 7.363 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.077 4.707 7.994 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.698 6.233 7.397 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.778 7.462 9.293 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.804 6.094 9.796 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.655 4.906 10.648 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.805 5.768 9.644 1.00 0.00 H new ATOM 0 HE ARG A 13 4.153 7.051 11.548 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.668 6.751 11.060 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.280 7.718 12.487 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.627 8.206 13.368 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.941 8.535 13.781 1.00 0.00 H new ATOM 180 N ALA A 14 0.612 4.567 5.294 1.00 0.00 N ATOM 181 CA ALA A 14 0.669 4.240 3.875 1.00 0.00 C ATOM 182 C ALA A 14 -0.614 4.645 3.169 1.00 0.00 C ATOM 183 O ALA A 14 -0.575 5.234 2.086 1.00 0.00 O ATOM 184 CB ALA A 14 0.913 2.743 3.679 1.00 0.00 C ATOM 0 H ALA A 14 0.532 3.758 5.910 1.00 0.00 H new ATOM 0 HA ALA A 14 1.497 4.798 3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.953 2.517 2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.859 2.464 4.144 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.102 2.179 4.140 1.00 0.00 H new ATOM 190 N VAL A 15 -1.753 4.283 3.759 1.00 0.00 N ATOM 191 CA VAL A 15 -3.041 4.558 3.144 1.00 0.00 C ATOM 192 C VAL A 15 -3.274 6.057 3.000 1.00 0.00 C ATOM 193 O VAL A 15 -3.747 6.528 1.967 1.00 0.00 O ATOM 194 CB VAL A 15 -4.191 3.884 3.932 1.00 0.00 C ATOM 195 CG1 VAL A 15 -4.631 4.764 5.105 1.00 0.00 C ATOM 196 CG2 VAL A 15 -5.389 3.647 3.006 1.00 0.00 C ATOM 0 H VAL A 15 -1.805 3.802 4.657 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.030 4.128 2.142 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.828 2.932 4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.440 4.272 5.645 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.788 4.922 5.778 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.979 5.726 4.728 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.194 3.173 3.567 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.736 4.601 2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.090 2.999 2.182 1.00 0.00 H new ATOM 206 N SER A 16 -2.919 6.809 4.021 1.00 0.00 N ATOM 207 CA SER A 16 -3.154 8.236 3.992 1.00 0.00 C ATOM 208 C SER A 16 -2.457 8.865 2.806 1.00 0.00 C ATOM 209 O SER A 16 -3.024 9.697 2.100 1.00 0.00 O ATOM 210 CB SER A 16 -2.638 8.870 5.282 1.00 0.00 C ATOM 211 OG SER A 16 -1.423 8.226 5.678 1.00 0.00 O ATOM 0 H SER A 16 -2.473 6.462 4.870 1.00 0.00 H new ATOM 0 HA SER A 16 -4.226 8.410 3.902 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.465 9.936 5.132 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.385 8.776 6.070 1.00 0.00 H new ATOM 0 HG SER A 16 -1.577 7.712 6.498 1.00 0.00 H new ATOM 217 N MET A 17 -1.222 8.479 2.601 1.00 0.00 N ATOM 218 CA MET A 17 -0.442 9.061 1.540 1.00 0.00 C ATOM 219 C MET A 17 -1.017 8.702 0.165 1.00 0.00 C ATOM 220 O MET A 17 -1.124 9.561 -0.717 1.00 0.00 O ATOM 221 CB MET A 17 1.016 8.620 1.649 1.00 0.00 C ATOM 222 CG MET A 17 1.578 9.113 2.991 1.00 0.00 C ATOM 223 SD MET A 17 3.386 8.922 3.016 1.00 0.00 S ATOM 224 CE MET A 17 3.464 7.118 3.202 1.00 0.00 C ATOM 0 H MET A 17 -0.739 7.769 3.151 1.00 0.00 H new ATOM 0 HA MET A 17 -0.486 10.145 1.644 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.089 7.534 1.584 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.598 9.028 0.822 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.312 10.159 3.144 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.133 8.548 3.810 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.506 6.801 3.238 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.964 6.825 4.125 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.969 6.643 2.355 1.00 0.00 H new ATOM 234 N VAL A 18 -1.403 7.442 -0.009 1.00 0.00 N ATOM 235 CA VAL A 18 -1.973 6.998 -1.275 1.00 0.00 C ATOM 236 C VAL A 18 -3.354 7.588 -1.523 1.00 0.00 C ATOM 237 O VAL A 18 -3.663 8.001 -2.637 1.00 0.00 O ATOM 238 CB VAL A 18 -1.989 5.466 -1.394 1.00 0.00 C ATOM 239 CG1 VAL A 18 -0.557 4.931 -1.329 1.00 0.00 C ATOM 240 CG2 VAL A 18 -2.799 4.861 -0.254 1.00 0.00 C ATOM 0 H VAL A 18 -1.332 6.716 0.704 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.317 7.378 -2.058 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.444 5.192 -2.346 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.570 3.844 -1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.026 5.352 -2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.105 5.215 -0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.804 3.775 -0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.351 5.141 0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.822 5.234 -0.297 1.00 0.00 H new ATOM 250 N GLU A 19 -4.178 7.652 -0.483 1.00 0.00 N ATOM 251 CA GLU A 19 -5.521 8.187 -0.640 1.00 0.00 C ATOM 252 C GLU A 19 -5.441 9.641 -1.063 1.00 0.00 C ATOM 253 O GLU A 19 -6.361 10.160 -1.686 1.00 0.00 O ATOM 254 CB GLU A 19 -6.283 8.151 0.680 1.00 0.00 C ATOM 255 CG GLU A 19 -6.595 6.728 1.146 1.00 0.00 C ATOM 256 CD GLU A 19 -7.290 6.796 2.502 1.00 0.00 C ATOM 257 OE1 GLU A 19 -7.477 7.900 3.007 1.00 0.00 O ATOM 258 OE2 GLU A 19 -7.635 5.768 3.020 1.00 0.00 O ATOM 0 H GLU A 19 -3.944 7.345 0.461 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.032 7.578 -1.386 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.697 8.659 1.446 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.215 8.705 0.571 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.233 6.224 0.420 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.677 6.146 1.221 1.00 0.00 H new ATOM 265 N LYS A 20 -4.476 10.351 -0.493 1.00 0.00 N ATOM 266 CA LYS A 20 -4.416 11.795 -0.647 1.00 0.00 C ATOM 267 C LYS A 20 -3.466 12.213 -1.773 1.00 0.00 C ATOM 268 O LYS A 20 -3.488 13.360 -2.207 1.00 0.00 O ATOM 269 CB LYS A 20 -4.017 12.448 0.684 1.00 0.00 C ATOM 270 CG LYS A 20 -4.950 11.924 1.803 1.00 0.00 C ATOM 271 CD LYS A 20 -6.413 12.340 1.550 1.00 0.00 C ATOM 272 CE LYS A 20 -7.321 11.094 1.622 1.00 0.00 C ATOM 273 NZ LYS A 20 -7.091 10.352 2.897 1.00 0.00 N ATOM 0 H LYS A 20 -3.730 9.952 0.076 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.409 12.145 -0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.979 12.216 0.921 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.092 13.533 0.608 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.882 10.837 1.857 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.620 12.312 2.767 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.727 13.075 2.291 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.504 12.814 0.573 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.367 11.394 1.553 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.120 10.441 0.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.685 9.498 2.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.090 10.078 2.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.338 10.962 3.703 1.00 0.00 H new ATOM 287 N ASN A 21 -2.693 11.274 -2.303 1.00 0.00 N ATOM 288 CA ASN A 21 -1.809 11.593 -3.424 1.00 0.00 C ATOM 289 C ASN A 21 -2.630 11.902 -4.667 1.00 0.00 C ATOM 290 O ASN A 21 -3.495 11.121 -5.053 1.00 0.00 O ATOM 291 CB ASN A 21 -0.832 10.453 -3.715 1.00 0.00 C ATOM 292 CG ASN A 21 0.161 10.911 -4.773 1.00 0.00 C ATOM 293 OD1 ASN A 21 -0.239 11.216 -5.888 1.00 0.00 O ATOM 294 ND2 ASN A 21 1.425 10.997 -4.490 1.00 0.00 N ATOM 0 H ASN A 21 -2.657 10.305 -1.986 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.226 12.471 -3.146 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.306 10.166 -2.804 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.373 9.573 -4.062 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.085 11.319 -5.198 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.758 10.743 -3.560 1.00 0.00 H new ATOM 301 N LYS A 22 -2.381 13.053 -5.266 1.00 0.00 N ATOM 302 CA LYS A 22 -3.128 13.498 -6.429 1.00 0.00 C ATOM 303 C LYS A 22 -3.029 12.495 -7.547 1.00 0.00 C ATOM 304 O LYS A 22 -4.021 12.189 -8.224 1.00 0.00 O ATOM 305 CB LYS A 22 -2.619 14.872 -6.907 1.00 0.00 C ATOM 306 CG LYS A 22 -1.162 14.791 -7.434 1.00 0.00 C ATOM 307 CD LYS A 22 -0.202 14.444 -6.287 1.00 0.00 C ATOM 308 CE LYS A 22 1.241 14.762 -6.694 1.00 0.00 C ATOM 309 NZ LYS A 22 1.637 13.959 -7.879 1.00 0.00 N ATOM 0 H LYS A 22 -1.657 13.704 -4.961 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.175 13.591 -6.139 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.271 15.248 -7.695 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.670 15.585 -6.084 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.092 14.036 -8.217 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.876 15.743 -7.882 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.470 15.010 -5.395 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.292 13.388 -6.034 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.336 15.824 -6.919 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.914 14.551 -5.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.494 14.367 -8.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.829 12.980 -7.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.866 13.967 -8.577 1.00 0.00 H new ATOM 323 N ASP A 23 -1.832 11.991 -7.756 1.00 0.00 N ATOM 324 CA ASP A 23 -1.594 11.048 -8.809 1.00 0.00 C ATOM 325 C ASP A 23 -2.406 9.812 -8.557 1.00 0.00 C ATOM 326 O ASP A 23 -3.155 9.357 -9.420 1.00 0.00 O ATOM 327 CB ASP A 23 -0.114 10.668 -8.804 1.00 0.00 C ATOM 328 CG ASP A 23 0.762 11.799 -9.291 1.00 0.00 C ATOM 329 OD1 ASP A 23 0.235 12.793 -9.761 1.00 0.00 O ATOM 330 OD2 ASP A 23 1.955 11.682 -9.165 1.00 0.00 O ATOM 0 H ASP A 23 -1.008 12.225 -7.202 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.871 11.487 -9.768 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.185 10.387 -7.794 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.038 9.793 -9.436 1.00 0.00 H new ATOM 335 N ILE A 24 -2.307 9.309 -7.346 1.00 0.00 N ATOM 336 CA ILE A 24 -3.075 8.152 -6.951 1.00 0.00 C ATOM 337 C ILE A 24 -4.563 8.488 -6.928 1.00 0.00 C ATOM 338 O ILE A 24 -5.381 7.756 -7.472 1.00 0.00 O ATOM 339 CB ILE A 24 -2.583 7.593 -5.611 1.00 0.00 C ATOM 340 CG1 ILE A 24 -1.154 7.065 -5.800 1.00 0.00 C ATOM 341 CG2 ILE A 24 -3.483 6.426 -5.175 1.00 0.00 C ATOM 342 CD1 ILE A 24 -0.549 6.703 -4.447 1.00 0.00 C ATOM 0 H ILE A 24 -1.700 9.685 -6.617 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.928 7.364 -7.689 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.609 8.377 -4.854 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.164 6.190 -6.449 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.541 7.820 -6.292 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.131 6.031 -4.222 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.508 6.779 -5.064 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.449 5.639 -5.929 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.465 6.329 -4.590 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.523 7.588 -3.811 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.156 5.933 -3.971 1.00 0.00 H new ATOM 354 N ARG A 25 -4.901 9.648 -6.378 1.00 0.00 N ATOM 355 CA ARG A 25 -6.292 10.085 -6.360 1.00 0.00 C ATOM 356 C ARG A 25 -6.866 10.092 -7.757 1.00 0.00 C ATOM 357 O ARG A 25 -7.976 9.594 -7.992 1.00 0.00 O ATOM 358 CB ARG A 25 -6.444 11.470 -5.721 1.00 0.00 C ATOM 359 CG ARG A 25 -6.690 11.312 -4.215 1.00 0.00 C ATOM 360 CD ARG A 25 -6.968 12.672 -3.564 1.00 0.00 C ATOM 361 NE ARG A 25 -5.744 13.452 -3.418 1.00 0.00 N ATOM 362 CZ ARG A 25 -5.767 14.763 -3.151 1.00 0.00 C ATOM 363 NH1 ARG A 25 -6.901 15.410 -3.145 1.00 0.00 N ATOM 364 NH2 ARG A 25 -4.659 15.385 -2.905 1.00 0.00 N ATOM 0 H ARG A 25 -4.242 10.295 -5.944 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.848 9.372 -5.751 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.546 12.063 -5.894 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.273 12.006 -6.182 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.535 10.644 -4.048 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.821 10.850 -3.746 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.685 13.227 -4.169 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.425 12.522 -2.586 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.844 12.984 -3.523 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.771 14.916 -3.344 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.917 16.409 -2.941 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.775 14.876 -2.915 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.670 16.384 -2.701 1.00 0.00 H new ATOM 378 N SER A 26 -6.078 10.567 -8.688 1.00 0.00 N ATOM 379 CA SER A 26 -6.460 10.543 -10.079 1.00 0.00 C ATOM 380 C SER A 26 -6.717 9.094 -10.508 1.00 0.00 C ATOM 381 O SER A 26 -7.731 8.790 -11.142 1.00 0.00 O ATOM 382 CB SER A 26 -5.340 11.160 -10.912 1.00 0.00 C ATOM 383 OG SER A 26 -5.026 12.455 -10.387 1.00 0.00 O ATOM 0 H SER A 26 -5.162 10.978 -8.507 1.00 0.00 H new ATOM 0 HA SER A 26 -7.373 11.119 -10.231 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.458 10.520 -10.889 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.647 11.241 -11.955 1.00 0.00 H new ATOM 0 HG SER A 26 -4.216 12.398 -9.839 1.00 0.00 H new ATOM 389 N LEU A 27 -5.842 8.188 -10.071 1.00 0.00 N ATOM 390 CA LEU A 27 -6.018 6.757 -10.328 1.00 0.00 C ATOM 391 C LEU A 27 -7.272 6.270 -9.614 1.00 0.00 C ATOM 392 O LEU A 27 -8.024 5.439 -10.132 1.00 0.00 O ATOM 393 CB LEU A 27 -4.814 5.970 -9.800 1.00 0.00 C ATOM 394 CG LEU A 27 -3.542 6.380 -10.552 1.00 0.00 C ATOM 395 CD1 LEU A 27 -2.331 5.705 -9.921 1.00 0.00 C ATOM 396 CD2 LEU A 27 -3.639 5.995 -12.026 1.00 0.00 C ATOM 0 H LEU A 27 -5.004 8.419 -9.537 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.108 6.601 -11.403 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.690 6.154 -8.733 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.988 4.901 -9.921 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.432 7.462 -10.483 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.429 5.999 -10.458 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.247 6.010 -8.878 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.449 4.623 -9.975 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.726 6.295 -12.541 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.767 4.916 -12.113 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.493 6.499 -12.478 1.00 0.00 H new ATOM 408 N LEU A 28 -7.460 6.775 -8.402 1.00 0.00 N ATOM 409 CA LEU A 28 -8.573 6.380 -7.540 1.00 0.00 C ATOM 410 C LEU A 28 -9.860 7.078 -7.968 1.00 0.00 C ATOM 411 O LEU A 28 -10.913 6.918 -7.327 1.00 0.00 O ATOM 412 CB LEU A 28 -8.270 6.741 -6.065 1.00 0.00 C ATOM 413 CG LEU A 28 -7.063 5.951 -5.531 1.00 0.00 C ATOM 414 CD1 LEU A 28 -6.744 6.423 -4.108 1.00 0.00 C ATOM 415 CD2 LEU A 28 -7.375 4.450 -5.500 1.00 0.00 C ATOM 0 H LEU A 28 -6.844 7.473 -7.985 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.700 5.301 -7.633 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.072 7.810 -5.984 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.145 6.531 -5.450 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.211 6.123 -6.188 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.889 5.867 -3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.508 7.487 -4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.608 6.251 -3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.510 3.906 -5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.231 4.270 -4.850 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.605 4.105 -6.508 1.00 0.00 H new ATOM 427 N GLN A 29 -9.770 7.903 -9.002 1.00 0.00 N ATOM 428 CA GLN A 29 -10.921 8.662 -9.467 1.00 0.00 C ATOM 429 C GLN A 29 -11.439 9.542 -8.334 1.00 0.00 C ATOM 430 O GLN A 29 -12.644 9.811 -8.232 1.00 0.00 O ATOM 431 CB GLN A 29 -12.034 7.703 -9.936 1.00 0.00 C ATOM 432 CG GLN A 29 -11.533 6.850 -11.110 1.00 0.00 C ATOM 433 CD GLN A 29 -11.269 7.735 -12.312 1.00 0.00 C ATOM 434 OE1 GLN A 29 -12.162 8.464 -12.753 1.00 0.00 O ATOM 435 NE2 GLN A 29 -10.105 7.726 -12.873 1.00 0.00 N ATOM 0 H GLN A 29 -8.914 8.063 -9.533 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.622 9.289 -10.307 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.341 7.058 -9.112 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.912 8.273 -10.239 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.621 6.325 -10.826 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.273 6.091 -11.362 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.368 7.123 -12.508 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.924 8.322 -13.681 1.00 0.00 H new ATOM 444 N CYS A 30 -10.533 9.939 -7.453 1.00 0.00 N ATOM 445 CA CYS A 30 -10.897 10.725 -6.285 1.00 0.00 C ATOM 446 C CYS A 30 -11.325 12.131 -6.668 1.00 0.00 C ATOM 447 O CYS A 30 -10.754 13.118 -6.192 1.00 0.00 O ATOM 448 CB CYS A 30 -9.743 10.772 -5.278 1.00 0.00 C ATOM 449 SG CYS A 30 -10.404 10.963 -3.601 1.00 0.00 S ATOM 0 H CYS A 30 -9.538 9.729 -7.526 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.749 10.234 -5.815 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -9.152 9.859 -5.345 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -9.076 11.601 -5.513 1.00 0.00 H new ATOM 0 HG CYS A 30 -9.423 11.000 -2.749 1.00 0.00 H new ATOM 455 N ASP A 31 -12.381 12.227 -7.462 1.00 0.00 N ATOM 456 CA ASP A 31 -12.951 13.524 -7.781 1.00 0.00 C ATOM 457 C ASP A 31 -14.172 13.751 -6.920 1.00 0.00 C ATOM 458 O ASP A 31 -15.277 13.322 -7.264 1.00 0.00 O ATOM 459 CB ASP A 31 -13.333 13.627 -9.267 1.00 0.00 C ATOM 460 CG ASP A 31 -13.600 15.082 -9.647 1.00 0.00 C ATOM 461 OD1 ASP A 31 -13.854 15.881 -8.768 1.00 0.00 O ATOM 462 OD2 ASP A 31 -13.526 15.388 -10.818 1.00 0.00 O ATOM 0 H ASP A 31 -12.855 11.432 -7.892 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.200 14.288 -7.581 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.530 13.224 -9.884 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.219 13.024 -9.464 1.00 0.00 H new ATOM 467 N ASP A 32 -13.982 14.403 -5.795 1.00 0.00 N ATOM 468 CA ASP A 32 -15.089 14.682 -4.903 1.00 0.00 C ATOM 469 C ASP A 32 -15.939 15.811 -5.439 1.00 0.00 C ATOM 470 O ASP A 32 -15.419 16.814 -5.933 1.00 0.00 O ATOM 471 CB ASP A 32 -14.594 14.967 -3.474 1.00 0.00 C ATOM 472 CG ASP A 32 -14.559 13.675 -2.670 1.00 0.00 C ATOM 473 OD1 ASP A 32 -15.609 13.153 -2.374 1.00 0.00 O ATOM 474 OD2 ASP A 32 -13.488 13.205 -2.369 1.00 0.00 O ATOM 0 H ASP A 32 -13.077 14.749 -5.476 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.718 13.793 -4.853 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.600 15.412 -3.506 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.251 15.689 -2.990 1.00 0.00 H new ATOM 479 N GLY A 33 -17.244 15.627 -5.396 1.00 0.00 N ATOM 480 CA GLY A 33 -18.173 16.610 -5.928 1.00 0.00 C ATOM 481 C GLY A 33 -18.622 16.235 -7.335 1.00 0.00 C ATOM 482 O GLY A 33 -19.552 16.837 -7.876 1.00 0.00 O ATOM 0 H GLY A 33 -17.689 14.801 -4.996 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -19.042 16.686 -5.274 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.699 17.592 -5.944 1.00 0.00 H new ATOM 486 N ILE A 34 -17.980 15.226 -7.920 1.00 0.00 N ATOM 487 CA ILE A 34 -18.343 14.774 -9.264 1.00 0.00 C ATOM 488 C ILE A 34 -19.761 14.182 -9.261 1.00 0.00 C ATOM 489 O ILE A 34 -20.589 14.506 -10.117 1.00 0.00 O ATOM 490 CB ILE A 34 -17.291 13.769 -9.801 1.00 0.00 C ATOM 491 CG1 ILE A 34 -17.514 13.505 -11.294 1.00 0.00 C ATOM 492 CG2 ILE A 34 -17.338 12.447 -9.033 1.00 0.00 C ATOM 493 CD1 ILE A 34 -17.179 14.758 -12.097 1.00 0.00 C ATOM 0 H ILE A 34 -17.213 14.709 -7.491 1.00 0.00 H new ATOM 0 HA ILE A 34 -18.347 15.628 -9.941 1.00 0.00 H new ATOM 0 HB ILE A 34 -16.308 14.216 -9.656 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -16.890 12.674 -11.623 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -18.550 13.215 -11.471 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -16.588 11.766 -9.435 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -17.133 12.631 -7.978 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -18.327 12.001 -9.137 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -17.339 14.564 -13.158 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -17.822 15.578 -11.777 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -16.136 15.028 -11.931 1.00 0.00 H new ATOM 505 N THR A 35 -20.064 13.451 -8.207 1.00 0.00 N ATOM 506 CA THR A 35 -21.399 12.943 -7.945 1.00 0.00 C ATOM 507 C THR A 35 -21.636 13.034 -6.450 1.00 0.00 C ATOM 508 O THR A 35 -21.514 12.042 -5.722 1.00 0.00 O ATOM 509 CB THR A 35 -21.546 11.487 -8.473 1.00 0.00 C ATOM 510 OG1 THR A 35 -22.684 10.851 -7.889 1.00 0.00 O ATOM 511 CG2 THR A 35 -20.288 10.674 -8.162 1.00 0.00 C ATOM 0 H THR A 35 -19.381 13.188 -7.497 1.00 0.00 H new ATOM 0 HA THR A 35 -22.150 13.534 -8.469 1.00 0.00 H new ATOM 0 HB THR A 35 -21.682 11.533 -9.553 1.00 0.00 H new ATOM 0 HG1 THR A 35 -22.623 10.904 -6.912 1.00 0.00 H new ATOM 0 HG21 THR A 35 -20.409 9.658 -8.539 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.427 11.139 -8.642 1.00 0.00 H new ATOM 0 HG23 THR A 35 -20.131 10.645 -7.084 1.00 0.00 H new ATOM 519 N GLY A 36 -21.675 14.266 -5.966 1.00 0.00 N ATOM 520 CA GLY A 36 -21.603 14.499 -4.548 1.00 0.00 C ATOM 521 C GLY A 36 -20.191 14.197 -4.128 1.00 0.00 C ATOM 522 O GLY A 36 -19.292 14.124 -4.984 1.00 0.00 O ATOM 0 H GLY A 36 -21.756 15.108 -6.536 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -21.864 15.531 -4.312 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -22.309 13.862 -4.015 1.00 0.00 H new ATOM 526 N LYS A 37 -19.981 13.942 -2.864 1.00 0.00 N ATOM 527 CA LYS A 37 -18.671 13.542 -2.423 1.00 0.00 C ATOM 528 C LYS A 37 -18.689 12.062 -2.098 1.00 0.00 C ATOM 529 O LYS A 37 -19.511 11.602 -1.301 1.00 0.00 O ATOM 530 CB LYS A 37 -18.256 14.386 -1.215 1.00 0.00 C ATOM 531 CG LYS A 37 -17.625 15.700 -1.721 1.00 0.00 C ATOM 532 CD LYS A 37 -18.711 16.692 -2.194 1.00 0.00 C ATOM 533 CE LYS A 37 -19.197 17.552 -1.022 1.00 0.00 C ATOM 534 NZ LYS A 37 -19.870 18.776 -1.541 1.00 0.00 N ATOM 0 H LYS A 37 -20.688 14.003 -2.131 1.00 0.00 H new ATOM 0 HA LYS A 37 -17.936 13.708 -3.210 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -19.122 14.600 -0.588 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.544 13.838 -0.598 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.035 16.154 -0.925 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -16.941 15.486 -2.542 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -18.311 17.331 -2.981 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -19.550 16.145 -2.624 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -19.888 16.981 -0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -18.355 17.830 -0.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -20.198 19.357 -0.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -19.198 19.325 -2.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -20.684 18.502 -2.128 1.00 0.00 H new ATOM 548 N GLU A 38 -17.860 11.308 -2.803 1.00 0.00 N ATOM 549 CA GLU A 38 -17.849 9.855 -2.699 1.00 0.00 C ATOM 550 C GLU A 38 -16.936 9.337 -1.594 1.00 0.00 C ATOM 551 O GLU A 38 -16.090 10.075 -1.078 1.00 0.00 O ATOM 552 CB GLU A 38 -17.556 9.233 -4.060 1.00 0.00 C ATOM 553 CG GLU A 38 -18.776 9.448 -4.959 1.00 0.00 C ATOM 554 CD GLU A 38 -18.510 8.948 -6.356 1.00 0.00 C ATOM 555 OE1 GLU A 38 -17.550 9.393 -6.960 1.00 0.00 O ATOM 556 OE2 GLU A 38 -19.291 8.149 -6.820 1.00 0.00 O ATOM 0 H GLU A 38 -17.178 11.683 -3.462 1.00 0.00 H new ATOM 0 HA GLU A 38 -18.846 9.537 -2.395 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.672 9.690 -4.504 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -17.345 8.169 -3.954 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -19.637 8.928 -4.540 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -19.028 10.508 -4.990 1.00 0.00 H new ATOM 563 N ARG A 39 -17.180 8.101 -1.170 1.00 0.00 N ATOM 564 CA ARG A 39 -16.471 7.508 -0.027 1.00 0.00 C ATOM 565 C ARG A 39 -15.368 6.549 -0.483 1.00 0.00 C ATOM 566 O ARG A 39 -15.633 5.603 -1.231 1.00 0.00 O ATOM 567 CB ARG A 39 -17.459 6.692 0.824 1.00 0.00 C ATOM 568 CG ARG A 39 -18.638 7.550 1.294 1.00 0.00 C ATOM 569 CD ARG A 39 -18.181 8.585 2.321 1.00 0.00 C ATOM 570 NE ARG A 39 -19.302 8.940 3.194 1.00 0.00 N ATOM 571 CZ ARG A 39 -19.981 10.089 3.070 1.00 0.00 C ATOM 572 NH1 ARG A 39 -19.684 10.925 2.115 1.00 0.00 N ATOM 573 NH2 ARG A 39 -20.954 10.364 3.892 1.00 0.00 N ATOM 0 H ARG A 39 -17.867 7.482 -1.600 1.00 0.00 H new ATOM 0 HA ARG A 39 -16.031 8.328 0.541 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -17.831 5.848 0.243 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -16.941 6.279 1.689 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -19.090 8.054 0.440 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -19.406 6.912 1.731 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -17.358 8.185 2.914 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -17.806 9.474 1.814 1.00 0.00 H new ATOM 0 HE ARG A 39 -19.577 8.286 3.927 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -18.934 10.705 1.460 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -20.202 11.799 2.023 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -21.199 9.705 4.631 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -21.470 11.239 3.797 1.00 0.00 H new ATOM 587 N LEU A 40 -14.180 6.702 0.103 1.00 0.00 N ATOM 588 CA LEU A 40 -13.078 5.750 -0.084 1.00 0.00 C ATOM 589 C LEU A 40 -13.023 4.773 1.086 1.00 0.00 C ATOM 590 O LEU A 40 -13.370 5.129 2.222 1.00 0.00 O ATOM 591 CB LEU A 40 -11.727 6.468 -0.212 1.00 0.00 C ATOM 592 CG LEU A 40 -11.676 7.252 -1.527 1.00 0.00 C ATOM 593 CD1 LEU A 40 -12.235 8.648 -1.308 1.00 0.00 C ATOM 594 CD2 LEU A 40 -10.228 7.359 -2.013 1.00 0.00 C ATOM 0 H LEU A 40 -13.952 7.484 0.718 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.267 5.207 -1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.584 7.144 0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.915 5.742 -0.180 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.272 6.731 -2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.198 9.206 -2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.268 8.577 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.640 9.164 -0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.199 7.918 -2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.630 7.876 -1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.824 6.360 -2.174 1.00 0.00 H new ATOM 606 N LYS A 41 -12.546 3.569 0.835 1.00 0.00 N ATOM 607 CA LYS A 41 -12.356 2.578 1.901 1.00 0.00 C ATOM 608 C LYS A 41 -11.002 1.927 1.764 1.00 0.00 C ATOM 609 O LYS A 41 -10.508 1.785 0.658 1.00 0.00 O ATOM 610 CB LYS A 41 -13.447 1.501 1.867 1.00 0.00 C ATOM 611 CG LYS A 41 -14.818 2.129 2.141 1.00 0.00 C ATOM 612 CD LYS A 41 -15.223 1.863 3.596 1.00 0.00 C ATOM 613 CE LYS A 41 -14.386 2.735 4.537 1.00 0.00 C ATOM 614 NZ LYS A 41 -14.457 4.164 4.122 1.00 0.00 N ATOM 0 H LYS A 41 -12.280 3.244 -0.095 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.420 3.100 2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.452 1.008 0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.235 0.734 2.612 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.782 3.202 1.953 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.563 1.712 1.463 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -16.283 2.078 3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -15.078 0.810 3.836 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.748 2.628 5.560 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.349 2.398 4.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.060 4.764 4.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.912 4.299 3.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.449 4.428 3.956 1.00 0.00 H new ATOM 628 N ALA A 42 -10.418 1.505 2.880 1.00 0.00 N ATOM 629 CA ALA A 42 -9.129 0.825 2.851 1.00 0.00 C ATOM 630 C ALA A 42 -9.093 -0.344 3.823 1.00 0.00 C ATOM 631 O ALA A 42 -9.505 -0.213 4.985 1.00 0.00 O ATOM 632 CB ALA A 42 -7.995 1.800 3.156 1.00 0.00 C ATOM 0 H ALA A 42 -10.815 1.621 3.812 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.991 0.430 1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.043 1.270 3.129 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.989 2.596 2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.142 2.231 4.146 1.00 0.00 H new ATOM 638 N TYR A 43 -8.599 -1.479 3.355 1.00 0.00 N ATOM 639 CA TYR A 43 -8.494 -2.685 4.174 1.00 0.00 C ATOM 640 C TYR A 43 -7.557 -3.711 3.537 1.00 0.00 C ATOM 641 O TYR A 43 -7.241 -3.622 2.357 1.00 0.00 O ATOM 642 CB TYR A 43 -9.877 -3.293 4.443 1.00 0.00 C ATOM 643 CG TYR A 43 -10.675 -3.350 3.160 1.00 0.00 C ATOM 644 CD1 TYR A 43 -10.369 -4.295 2.187 1.00 0.00 C ATOM 645 CD2 TYR A 43 -11.735 -2.458 2.957 1.00 0.00 C ATOM 646 CE1 TYR A 43 -11.108 -4.355 1.016 1.00 0.00 C ATOM 647 CE2 TYR A 43 -12.479 -2.514 1.777 1.00 0.00 C ATOM 648 CZ TYR A 43 -12.163 -3.467 0.803 1.00 0.00 C ATOM 649 OH TYR A 43 -12.897 -3.542 -0.362 1.00 0.00 O ATOM 0 H TYR A 43 -8.259 -1.594 2.400 1.00 0.00 H new ATOM 0 HA TYR A 43 -8.063 -2.395 5.133 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -9.768 -4.295 4.858 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -10.408 -2.696 5.185 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -9.553 -4.985 2.344 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -11.977 -1.726 3.714 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -10.866 -5.092 0.265 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -13.295 -1.825 1.617 1.00 0.00 H new ATOM 0 HH TYR A 43 -13.833 -3.323 -0.173 1.00 0.00 H new ATOM 659 N GLY A 44 -7.142 -4.707 4.304 1.00 0.00 N ATOM 660 CA GLY A 44 -6.289 -5.754 3.770 1.00 0.00 C ATOM 661 C GLY A 44 -7.077 -6.613 2.804 1.00 0.00 C ATOM 662 O GLY A 44 -8.307 -6.604 2.836 1.00 0.00 O ATOM 0 H GLY A 44 -7.380 -4.811 5.290 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.431 -5.313 3.263 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.899 -6.368 4.582 1.00 0.00 H new ATOM 666 N GLU A 45 -6.364 -7.394 1.991 1.00 0.00 N ATOM 667 CA GLU A 45 -6.970 -8.347 1.051 1.00 0.00 C ATOM 668 C GLU A 45 -8.371 -8.744 1.509 1.00 0.00 C ATOM 669 O GLU A 45 -8.552 -9.132 2.651 1.00 0.00 O ATOM 670 CB GLU A 45 -6.074 -9.575 0.976 1.00 0.00 C ATOM 671 CG GLU A 45 -4.961 -9.332 -0.057 1.00 0.00 C ATOM 672 CD GLU A 45 -5.321 -9.975 -1.382 1.00 0.00 C ATOM 673 OE1 GLU A 45 -6.489 -9.977 -1.725 1.00 0.00 O ATOM 674 OE2 GLU A 45 -4.427 -10.457 -2.038 1.00 0.00 O ATOM 0 H GLU A 45 -5.344 -7.386 1.964 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.062 -7.885 0.068 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.639 -9.782 1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.660 -10.450 0.696 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.811 -8.261 -0.194 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.020 -9.742 0.310 1.00 0.00 H new ATOM 881 N PRO A 57 -3.679 -9.680 4.486 1.00 0.00 N ATOM 882 CA PRO A 57 -4.493 -8.693 5.225 1.00 0.00 C ATOM 883 C PRO A 57 -3.595 -7.520 5.600 1.00 0.00 C ATOM 884 O PRO A 57 -2.424 -7.510 5.232 1.00 0.00 O ATOM 885 CB PRO A 57 -4.988 -9.439 6.470 1.00 0.00 C ATOM 886 CG PRO A 57 -4.466 -10.849 6.357 1.00 0.00 C ATOM 887 CD PRO A 57 -3.982 -11.043 4.916 1.00 0.00 C ATOM 0 HA PRO A 57 -5.332 -8.298 4.652 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.623 -8.962 7.379 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.077 -9.431 6.520 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.651 -11.014 7.061 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.248 -11.569 6.600 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.103 -11.686 4.868 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.748 -11.503 4.291 1.00 0.00 H new ATOM 895 N ILE A 58 -4.132 -6.514 6.269 1.00 0.00 N ATOM 896 CA ILE A 58 -3.305 -5.373 6.629 1.00 0.00 C ATOM 897 C ILE A 58 -2.153 -5.833 7.523 1.00 0.00 C ATOM 898 O ILE A 58 -2.240 -5.763 8.751 1.00 0.00 O ATOM 899 CB ILE A 58 -4.131 -4.308 7.365 1.00 0.00 C ATOM 900 CG1 ILE A 58 -5.288 -3.841 6.482 1.00 0.00 C ATOM 901 CG2 ILE A 58 -3.244 -3.106 7.706 1.00 0.00 C ATOM 902 CD1 ILE A 58 -6.218 -2.938 7.290 1.00 0.00 C ATOM 0 H ILE A 58 -5.106 -6.461 6.567 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.909 -4.934 5.713 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.527 -4.744 8.282 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.903 -3.302 5.616 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.839 -4.701 6.103 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.835 -2.354 8.228 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.423 -3.430 8.345 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.842 -2.678 6.788 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.042 -2.606 6.658 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.613 -3.492 8.141 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.663 -2.071 7.647 1.00 0.00 H new ATOM 914 N VAL A 59 -1.103 -6.340 6.899 1.00 0.00 N ATOM 915 CA VAL A 59 0.062 -6.825 7.609 1.00 0.00 C ATOM 916 C VAL A 59 1.329 -6.442 6.857 1.00 0.00 C ATOM 917 O VAL A 59 1.314 -6.314 5.632 1.00 0.00 O ATOM 918 CB VAL A 59 -0.003 -8.357 7.755 1.00 0.00 C ATOM 919 CG1 VAL A 59 -1.257 -8.756 8.536 1.00 0.00 C ATOM 920 CG2 VAL A 59 -0.041 -9.021 6.365 1.00 0.00 C ATOM 0 H VAL A 59 -1.037 -6.426 5.885 1.00 0.00 H new ATOM 0 HA VAL A 59 0.078 -6.371 8.600 1.00 0.00 H new ATOM 0 HB VAL A 59 0.884 -8.692 8.293 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.295 -9.841 8.634 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.228 -8.303 9.527 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.143 -8.409 8.004 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.087 -10.104 6.480 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.920 -8.676 5.821 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.857 -8.753 5.809 1.00 0.00 H new ATOM 930 N SER A 60 2.443 -6.460 7.554 1.00 0.00 N ATOM 931 CA SER A 60 3.740 -6.343 6.910 1.00 0.00 C ATOM 932 C SER A 60 4.493 -7.638 7.142 1.00 0.00 C ATOM 933 O SER A 60 4.661 -8.045 8.294 1.00 0.00 O ATOM 934 CB SER A 60 4.553 -5.179 7.502 1.00 0.00 C ATOM 935 OG SER A 60 3.735 -4.024 7.665 1.00 0.00 O ATOM 0 H SER A 60 2.481 -6.555 8.569 1.00 0.00 H new ATOM 0 HA SER A 60 3.596 -6.150 5.847 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.971 -5.473 8.465 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.393 -4.946 6.848 1.00 0.00 H new ATOM 0 HG SER A 60 4.242 -3.328 8.132 1.00 0.00 H new ATOM 941 N THR A 61 4.925 -8.315 6.084 1.00 0.00 N ATOM 942 CA THR A 61 5.625 -9.572 6.290 1.00 0.00 C ATOM 943 C THR A 61 6.947 -9.290 6.983 1.00 0.00 C ATOM 944 O THR A 61 7.946 -8.969 6.331 1.00 0.00 O ATOM 945 CB THR A 61 5.853 -10.311 4.958 1.00 0.00 C ATOM 946 OG1 THR A 61 6.891 -9.677 4.230 1.00 0.00 O ATOM 947 CG2 THR A 61 4.568 -10.311 4.123 1.00 0.00 C ATOM 0 H THR A 61 4.809 -8.028 5.112 1.00 0.00 H new ATOM 0 HA THR A 61 5.014 -10.222 6.917 1.00 0.00 H new ATOM 0 HB THR A 61 6.136 -11.341 5.173 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.690 -9.606 4.793 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.744 -10.837 3.184 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.774 -10.813 4.677 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.270 -9.284 3.913 1.00 0.00 H new ATOM 955 N LYS A 62 6.913 -9.293 8.305 1.00 0.00 N ATOM 956 CA LYS A 62 8.062 -8.915 9.103 1.00 0.00 C ATOM 957 C LYS A 62 9.222 -9.854 8.858 1.00 0.00 C ATOM 958 O LYS A 62 9.210 -10.998 9.331 1.00 0.00 O ATOM 959 CB LYS A 62 7.706 -8.975 10.596 1.00 0.00 C ATOM 960 CG LYS A 62 6.614 -7.959 10.951 1.00 0.00 C ATOM 961 CD LYS A 62 7.209 -6.549 11.012 1.00 0.00 C ATOM 962 CE LYS A 62 6.279 -5.635 11.813 1.00 0.00 C ATOM 963 NZ LYS A 62 5.848 -6.304 13.071 1.00 0.00 N ATOM 0 H LYS A 62 6.092 -9.556 8.851 1.00 0.00 H new ATOM 0 HA LYS A 62 8.346 -7.902 8.818 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.368 -9.979 10.851 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.597 -8.778 11.192 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.817 -7.994 10.208 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.166 -8.215 11.911 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.195 -6.579 11.476 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.343 -6.156 10.004 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.790 -4.701 12.047 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.406 -5.378 11.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.594 -5.584 13.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.022 -6.906 12.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.626 -6.889 13.437 1.00 0.00 H new ATOM 977 N LYS A 63 10.271 -9.336 8.255 1.00 0.00 N ATOM 978 CA LYS A 63 11.495 -10.092 8.132 1.00 0.00 C ATOM 979 C LYS A 63 12.637 -9.293 8.717 1.00 0.00 C ATOM 980 O LYS A 63 12.911 -8.178 8.264 1.00 0.00 O ATOM 981 CB LYS A 63 11.820 -10.424 6.666 1.00 0.00 C ATOM 982 CG LYS A 63 10.612 -11.068 5.960 1.00 0.00 C ATOM 983 CD LYS A 63 11.109 -11.984 4.829 1.00 0.00 C ATOM 984 CE LYS A 63 11.968 -11.191 3.830 1.00 0.00 C ATOM 985 NZ LYS A 63 13.362 -11.711 3.842 1.00 0.00 N ATOM 0 H LYS A 63 10.300 -8.402 7.846 1.00 0.00 H new ATOM 0 HA LYS A 63 11.361 -11.030 8.671 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.110 -9.514 6.140 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.673 -11.102 6.624 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.023 -11.642 6.675 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.958 -10.295 5.556 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.692 -12.804 5.248 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.258 -12.429 4.313 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.547 -11.274 2.828 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.962 -10.133 4.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.959 -11.119 3.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.733 -11.688 4.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.370 -12.690 3.491 1.00 0.00 H new ATOM 999 N LEU A 64 13.387 -9.908 9.601 1.00 0.00 N ATOM 1000 CA LEU A 64 14.608 -9.313 10.097 1.00 0.00 C ATOM 1001 C LEU A 64 15.733 -9.887 9.281 1.00 0.00 C ATOM 1002 O LEU A 64 16.228 -10.984 9.573 1.00 0.00 O ATOM 1003 CB LEU A 64 14.807 -9.646 11.587 1.00 0.00 C ATOM 1004 CG LEU A 64 15.773 -8.639 12.259 1.00 0.00 C ATOM 1005 CD1 LEU A 64 16.838 -8.127 11.271 1.00 0.00 C ATOM 1006 CD2 LEU A 64 14.985 -7.453 12.822 1.00 0.00 C ATOM 0 H LEU A 64 13.173 -10.825 9.994 1.00 0.00 H new ATOM 0 HA LEU A 64 14.572 -8.227 10.009 1.00 0.00 H new ATOM 0 HB2 LEU A 64 13.845 -9.628 12.098 1.00 0.00 H new ATOM 0 HB3 LEU A 64 15.203 -10.657 11.687 1.00 0.00 H new ATOM 0 HG LEU A 64 16.284 -9.161 13.068 1.00 0.00 H new ATOM 0 HD11 LEU A 64 17.497 -7.423 11.779 1.00 0.00 H new ATOM 0 HD12 LEU A 64 17.423 -8.968 10.899 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.348 -7.627 10.435 1.00 0.00 H new ATOM 0 HD21 LEU A 64 15.672 -6.750 13.293 1.00 0.00 H new ATOM 0 HD22 LEU A 64 14.452 -6.953 12.013 1.00 0.00 H new ATOM 0 HD23 LEU A 64 14.269 -7.810 13.562 1.00 0.00 H new ATOM 1018 N ASP A 65 15.986 -9.260 8.156 1.00 0.00 N ATOM 1019 CA ASP A 65 16.899 -9.802 7.181 1.00 0.00 C ATOM 1020 C ASP A 65 18.334 -9.460 7.488 1.00 0.00 C ATOM 1021 O ASP A 65 18.628 -8.581 8.304 1.00 0.00 O ATOM 1022 CB ASP A 65 16.542 -9.318 5.767 1.00 0.00 C ATOM 1023 CG ASP A 65 15.636 -10.311 5.059 1.00 0.00 C ATOM 1024 OD1 ASP A 65 14.770 -10.867 5.695 1.00 0.00 O ATOM 1025 OD2 ASP A 65 15.816 -10.492 3.878 1.00 0.00 O ATOM 0 H ASP A 65 15.568 -8.367 7.893 1.00 0.00 H new ATOM 0 HA ASP A 65 16.797 -10.886 7.228 1.00 0.00 H new ATOM 0 HB2 ASP A 65 16.048 -8.348 5.826 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.454 -9.176 5.187 1.00 0.00 H new ATOM 1030 N LYS A 66 19.206 -10.058 6.697 1.00 0.00 N ATOM 1031 CA LYS A 66 20.644 -9.808 6.720 1.00 0.00 C ATOM 1032 C LYS A 66 20.931 -8.311 6.768 1.00 0.00 C ATOM 1033 O LYS A 66 22.051 -7.884 7.062 1.00 0.00 O ATOM 1034 CB LYS A 66 21.262 -10.390 5.439 1.00 0.00 C ATOM 1035 CG LYS A 66 20.607 -9.722 4.201 1.00 0.00 C ATOM 1036 CD LYS A 66 19.548 -10.647 3.584 1.00 0.00 C ATOM 1037 CE LYS A 66 18.599 -9.818 2.701 1.00 0.00 C ATOM 1038 NZ LYS A 66 17.519 -10.688 2.183 1.00 0.00 N ATOM 0 H LYS A 66 18.931 -10.750 6.000 1.00 0.00 H new ATOM 0 HA LYS A 66 21.072 -10.276 7.607 1.00 0.00 H new ATOM 0 HB2 LYS A 66 22.338 -10.219 5.431 1.00 0.00 H new ATOM 0 HB3 LYS A 66 21.110 -11.469 5.407 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.147 -8.777 4.491 1.00 0.00 H new ATOM 0 HG3 LYS A 66 21.371 -9.490 3.459 1.00 0.00 H new ATOM 0 HD2 LYS A 66 20.029 -11.424 2.990 1.00 0.00 H new ATOM 0 HD3 LYS A 66 18.985 -11.149 4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 66 18.174 -8.997 3.278 1.00 0.00 H new ATOM 0 HE3 LYS A 66 19.151 -9.374 1.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 17.111 -10.262 1.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 17.908 -11.624 1.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.778 -10.789 2.906 1.00 0.00 H new ATOM 1052 N GLU A 67 19.932 -7.531 6.426 1.00 0.00 N ATOM 1053 CA GLU A 67 20.054 -6.100 6.388 1.00 0.00 C ATOM 1054 C GLU A 67 20.300 -5.559 7.791 1.00 0.00 C ATOM 1055 O GLU A 67 20.924 -4.513 7.965 1.00 0.00 O ATOM 1056 CB GLU A 67 18.770 -5.488 5.819 1.00 0.00 C ATOM 1057 CG GLU A 67 18.366 -6.216 4.512 1.00 0.00 C ATOM 1058 CD GLU A 67 19.425 -6.079 3.429 1.00 0.00 C ATOM 1059 OE1 GLU A 67 20.215 -5.159 3.493 1.00 0.00 O ATOM 1060 OE2 GLU A 67 19.413 -6.892 2.529 1.00 0.00 O ATOM 0 H GLU A 67 19.009 -7.877 6.166 1.00 0.00 H new ATOM 0 HA GLU A 67 20.897 -5.833 5.751 1.00 0.00 H new ATOM 0 HB2 GLU A 67 17.966 -5.565 6.551 1.00 0.00 H new ATOM 0 HB3 GLU A 67 18.920 -4.427 5.622 1.00 0.00 H new ATOM 0 HG2 GLU A 67 18.199 -7.272 4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 67 17.422 -5.810 4.149 1.00 0.00 H new ATOM 1067 N GLY A 68 19.715 -6.224 8.778 1.00 0.00 N ATOM 1068 CA GLY A 68 19.759 -5.740 10.149 1.00 0.00 C ATOM 1069 C GLY A 68 18.609 -4.785 10.365 1.00 0.00 C ATOM 1070 O GLY A 68 18.552 -4.053 11.359 1.00 0.00 O ATOM 0 H GLY A 68 19.205 -7.099 8.654 1.00 0.00 H new ATOM 0 HA2 GLY A 68 19.692 -6.575 10.846 1.00 0.00 H new ATOM 0 HA3 GLY A 68 20.707 -5.239 10.342 1.00 0.00 H new ATOM 1074 N ARG A 69 17.690 -4.810 9.418 1.00 0.00 N ATOM 1075 CA ARG A 69 16.506 -3.987 9.448 1.00 0.00 C ATOM 1076 C ARG A 69 15.299 -4.888 9.261 1.00 0.00 C ATOM 1077 O ARG A 69 15.285 -5.713 8.345 1.00 0.00 O ATOM 1078 CB ARG A 69 16.550 -2.995 8.270 1.00 0.00 C ATOM 1079 CG ARG A 69 17.846 -2.164 8.310 1.00 0.00 C ATOM 1080 CD ARG A 69 17.828 -1.255 9.536 1.00 0.00 C ATOM 1081 NE ARG A 69 18.976 -0.344 9.527 1.00 0.00 N ATOM 1082 CZ ARG A 69 19.525 0.114 10.655 1.00 0.00 C ATOM 1083 NH1 ARG A 69 18.994 -0.183 11.798 1.00 0.00 N ATOM 1084 NH2 ARG A 69 20.574 0.879 10.607 1.00 0.00 N ATOM 0 H ARG A 69 17.750 -5.412 8.597 1.00 0.00 H new ATOM 0 HA ARG A 69 16.450 -3.446 10.393 1.00 0.00 H new ATOM 0 HB2 ARG A 69 16.489 -3.539 7.327 1.00 0.00 H new ATOM 0 HB3 ARG A 69 15.685 -2.333 8.313 1.00 0.00 H new ATOM 0 HG2 ARG A 69 18.713 -2.824 8.345 1.00 0.00 H new ATOM 0 HG3 ARG A 69 17.936 -1.567 7.402 1.00 0.00 H new ATOM 0 HD2 ARG A 69 16.902 -0.680 9.554 1.00 0.00 H new ATOM 0 HD3 ARG A 69 17.845 -1.860 10.443 1.00 0.00 H new ATOM 0 HE ARG A 69 19.368 -0.051 8.632 1.00 0.00 H new ATOM 0 HH11 ARG A 69 18.158 -0.766 11.836 1.00 0.00 H new ATOM 0 HH12 ARG A 69 19.412 0.166 12.661 1.00 0.00 H new ATOM 0 HH21 ARG A 69 20.980 1.131 9.706 1.00 0.00 H new ATOM 0 HH22 ARG A 69 20.991 1.227 11.470 1.00 0.00 H new ATOM 1098 N THR A 70 14.266 -4.700 10.061 1.00 0.00 N ATOM 1099 CA THR A 70 13.054 -5.466 9.855 1.00 0.00 C ATOM 1100 C THR A 70 12.426 -5.008 8.552 1.00 0.00 C ATOM 1101 O THR A 70 12.187 -3.812 8.371 1.00 0.00 O ATOM 1102 CB THR A 70 12.062 -5.237 10.997 1.00 0.00 C ATOM 1103 OG1 THR A 70 12.728 -5.294 12.256 1.00 0.00 O ATOM 1104 CG2 THR A 70 10.961 -6.301 10.951 1.00 0.00 C ATOM 0 H THR A 70 14.241 -4.041 10.839 1.00 0.00 H new ATOM 0 HA THR A 70 13.298 -6.528 9.823 1.00 0.00 H new ATOM 0 HB THR A 70 11.618 -4.249 10.878 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.448 -4.535 12.809 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.258 -6.132 11.767 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.434 -6.238 9.999 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.407 -7.290 11.055 1.00 0.00 H new ATOM 1112 N HIS A 71 12.153 -5.934 7.657 1.00 0.00 N ATOM 1113 CA HIS A 71 11.556 -5.583 6.376 1.00 0.00 C ATOM 1114 C HIS A 71 10.043 -5.641 6.477 1.00 0.00 C ATOM 1115 O HIS A 71 9.482 -6.657 6.896 1.00 0.00 O ATOM 1116 CB HIS A 71 12.049 -6.537 5.275 1.00 0.00 C ATOM 1117 CG HIS A 71 12.093 -5.834 3.929 1.00 0.00 C ATOM 1118 ND1 HIS A 71 13.269 -5.727 3.195 1.00 0.00 N ATOM 1119 CD2 HIS A 71 11.120 -5.216 3.163 1.00 0.00 C ATOM 1120 CE1 HIS A 71 12.979 -5.075 2.047 1.00 0.00 C ATOM 1121 NE2 HIS A 71 11.685 -4.744 1.974 1.00 0.00 N ATOM 0 H HIS A 71 12.332 -6.930 7.787 1.00 0.00 H new ATOM 0 HA HIS A 71 11.857 -4.568 6.116 1.00 0.00 H new ATOM 0 HB2 HIS A 71 13.042 -6.909 5.528 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.390 -7.403 5.216 1.00 0.00 H new ATOM 0 HD2 HIS A 71 10.082 -5.114 3.441 1.00 0.00 H new ATOM 0 HE1 HIS A 71 13.705 -4.848 1.280 1.00 0.00 H new ATOM 0 HE2 HIS A 71 11.212 -4.253 1.215 1.00 0.00 H new ATOM 1130 N HIS A 72 9.390 -4.566 6.090 1.00 0.00 N ATOM 1131 CA HIS A 72 7.942 -4.500 6.093 1.00 0.00 C ATOM 1132 C HIS A 72 7.437 -4.600 4.673 1.00 0.00 C ATOM 1133 O HIS A 72 7.401 -3.600 3.964 1.00 0.00 O ATOM 1134 CB HIS A 72 7.462 -3.154 6.676 1.00 0.00 C ATOM 1135 CG HIS A 72 7.389 -3.199 8.171 1.00 0.00 C ATOM 1136 ND1 HIS A 72 6.177 -3.167 8.851 1.00 0.00 N ATOM 1137 CD2 HIS A 72 8.363 -3.240 9.133 1.00 0.00 C ATOM 1138 CE1 HIS A 72 6.459 -3.184 10.169 1.00 0.00 C ATOM 1139 NE2 HIS A 72 7.780 -3.230 10.397 1.00 0.00 N ATOM 0 H HIS A 72 9.846 -3.714 5.765 1.00 0.00 H new ATOM 0 HA HIS A 72 7.561 -5.320 6.702 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.142 -2.360 6.368 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.480 -2.910 6.270 1.00 0.00 H new ATOM 0 HD2 HIS A 72 9.425 -3.275 8.940 1.00 0.00 H new ATOM 0 HE1 HIS A 72 5.711 -3.163 10.948 1.00 0.00 H new ATOM 0 HE2 HIS A 72 8.254 -3.253 11.300 1.00 0.00 H new ATOM 1148 N TYR A 73 6.932 -5.762 4.305 1.00 0.00 N ATOM 1149 CA TYR A 73 6.271 -5.927 3.016 1.00 0.00 C ATOM 1150 C TYR A 73 4.783 -5.918 3.285 1.00 0.00 C ATOM 1151 O TYR A 73 4.270 -6.854 3.909 1.00 0.00 O ATOM 1152 CB TYR A 73 6.622 -7.284 2.384 1.00 0.00 C ATOM 1153 CG TYR A 73 8.107 -7.412 2.109 1.00 0.00 C ATOM 1154 CD1 TYR A 73 8.965 -7.909 3.100 1.00 0.00 C ATOM 1155 CD2 TYR A 73 8.622 -7.064 0.853 1.00 0.00 C ATOM 1156 CE1 TYR A 73 10.325 -8.050 2.833 1.00 0.00 C ATOM 1157 CE2 TYR A 73 9.988 -7.206 0.596 1.00 0.00 C ATOM 1158 CZ TYR A 73 10.837 -7.700 1.587 1.00 0.00 C ATOM 1159 OH TYR A 73 12.177 -7.841 1.340 1.00 0.00 O ATOM 0 H TYR A 73 6.965 -6.607 4.876 1.00 0.00 H new ATOM 0 HA TYR A 73 6.586 -5.133 2.339 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.305 -8.087 3.049 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.069 -7.405 1.453 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.573 -8.182 4.068 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.964 -6.686 0.085 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.986 -8.433 3.597 1.00 0.00 H new ATOM 0 HE2 TYR A 73 10.387 -6.933 -0.370 1.00 0.00 H new ATOM 0 HH TYR A 73 12.682 -7.660 2.160 1.00 0.00 H new ATOM 1169 N MET A 74 4.121 -4.813 2.979 1.00 0.00 N ATOM 1170 CA MET A 74 2.715 -4.653 3.345 1.00 0.00 C ATOM 1171 C MET A 74 1.848 -4.273 2.155 1.00 0.00 C ATOM 1172 O MET A 74 2.056 -3.227 1.537 1.00 0.00 O ATOM 1173 CB MET A 74 2.581 -3.596 4.461 1.00 0.00 C ATOM 1174 CG MET A 74 1.103 -3.288 4.741 1.00 0.00 C ATOM 1175 SD MET A 74 0.991 -2.045 6.053 1.00 0.00 S ATOM 1176 CE MET A 74 1.577 -0.632 5.075 1.00 0.00 C ATOM 0 H MET A 74 4.526 -4.019 2.483 1.00 0.00 H new ATOM 0 HA MET A 74 2.359 -5.617 3.707 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.061 -3.957 5.370 1.00 0.00 H new ATOM 0 HB3 MET A 74 3.099 -2.683 4.168 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.618 -2.923 3.836 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.580 -4.197 5.039 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.066 0.274 5.402 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.651 -0.513 5.215 1.00 0.00 H new ATOM 0 HE3 MET A 74 1.365 -0.807 4.020 1.00 0.00 H new ATOM 1186 N ARG A 75 0.774 -5.031 1.957 1.00 0.00 N ATOM 1187 CA ARG A 75 -0.251 -4.683 0.982 1.00 0.00 C ATOM 1188 C ARG A 75 -1.601 -4.526 1.639 1.00 0.00 C ATOM 1189 O ARG A 75 -1.959 -5.281 2.540 1.00 0.00 O ATOM 1190 CB ARG A 75 -0.391 -5.711 -0.151 1.00 0.00 C ATOM 1191 CG ARG A 75 0.734 -5.614 -1.160 1.00 0.00 C ATOM 1192 CD ARG A 75 0.465 -6.659 -2.253 1.00 0.00 C ATOM 1193 NE ARG A 75 1.457 -6.607 -3.326 1.00 0.00 N ATOM 1194 CZ ARG A 75 1.272 -5.872 -4.435 1.00 0.00 C ATOM 1195 NH1 ARG A 75 0.245 -5.067 -4.529 1.00 0.00 N ATOM 1196 NH2 ARG A 75 2.125 -5.943 -5.405 1.00 0.00 N ATOM 0 H ARG A 75 0.591 -5.897 2.464 1.00 0.00 H new ATOM 0 HA ARG A 75 0.080 -3.738 0.551 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.410 -6.715 0.273 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.344 -5.561 -0.658 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.779 -4.613 -1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.696 -5.799 -0.681 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.465 -7.654 -1.809 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.528 -6.497 -2.671 1.00 0.00 H new ATOM 0 HE ARG A 75 2.317 -7.146 -3.229 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.419 -4.996 -3.758 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.109 -4.511 -5.373 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.936 -6.556 -5.327 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.986 -5.386 -6.248 1.00 0.00 H new ATOM 1210 N PHE A 76 -2.393 -3.641 1.086 1.00 0.00 N ATOM 1211 CA PHE A 76 -3.774 -3.489 1.485 1.00 0.00 C ATOM 1212 C PHE A 76 -4.611 -3.014 0.318 1.00 0.00 C ATOM 1213 O PHE A 76 -4.071 -2.522 -0.679 1.00 0.00 O ATOM 1214 CB PHE A 76 -3.927 -2.585 2.715 1.00 0.00 C ATOM 1215 CG PHE A 76 -3.335 -1.218 2.459 1.00 0.00 C ATOM 1216 CD1 PHE A 76 -4.121 -0.197 1.913 1.00 0.00 C ATOM 1217 CD2 PHE A 76 -1.998 -0.971 2.788 1.00 0.00 C ATOM 1218 CE1 PHE A 76 -3.566 1.070 1.697 1.00 0.00 C ATOM 1219 CE2 PHE A 76 -1.444 0.290 2.571 1.00 0.00 C ATOM 1220 CZ PHE A 76 -2.228 1.312 2.027 1.00 0.00 C ATOM 0 H PHE A 76 -2.100 -3.004 0.345 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.145 -4.469 1.787 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.982 -2.486 2.969 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.434 -3.044 3.572 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.153 -0.386 1.659 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.393 -1.759 3.211 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.170 1.860 1.276 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.411 0.477 2.823 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.800 2.290 1.861 1.00 0.00 H new ATOM 1230 N HIS A 77 -5.905 -3.213 0.413 1.00 0.00 N ATOM 1231 CA HIS A 77 -6.820 -2.867 -0.655 1.00 0.00 C ATOM 1232 C HIS A 77 -7.644 -1.671 -0.262 1.00 0.00 C ATOM 1233 O HIS A 77 -8.009 -1.515 0.911 1.00 0.00 O ATOM 1234 CB HIS A 77 -7.745 -4.050 -0.978 1.00 0.00 C ATOM 1235 CG HIS A 77 -7.021 -5.039 -1.853 1.00 0.00 C ATOM 1236 ND1 HIS A 77 -6.187 -6.018 -1.336 1.00 0.00 N ATOM 1237 CD2 HIS A 77 -7.001 -5.211 -3.216 1.00 0.00 C ATOM 1238 CE1 HIS A 77 -5.702 -6.729 -2.376 1.00 0.00 C ATOM 1239 NE2 HIS A 77 -6.167 -6.276 -3.544 1.00 0.00 N ATOM 0 H HIS A 77 -6.356 -3.620 1.233 1.00 0.00 H new ATOM 0 HA HIS A 77 -6.236 -2.626 -1.543 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -8.067 -4.534 -0.056 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.643 -3.694 -1.482 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -7.550 -4.610 -3.926 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -5.022 -7.562 -2.276 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -5.956 -6.634 -4.476 1.00 0.00 H new ATOM 1248 N VAL A 78 -7.957 -0.840 -1.230 1.00 0.00 N ATOM 1249 CA VAL A 78 -8.778 0.313 -0.979 1.00 0.00 C ATOM 1250 C VAL A 78 -9.896 0.396 -1.995 1.00 0.00 C ATOM 1251 O VAL A 78 -9.743 -0.036 -3.140 1.00 0.00 O ATOM 1252 CB VAL A 78 -7.937 1.612 -0.991 1.00 0.00 C ATOM 1253 CG1 VAL A 78 -6.615 1.393 -0.241 1.00 0.00 C ATOM 1254 CG2 VAL A 78 -7.634 2.044 -2.435 1.00 0.00 C ATOM 0 H VAL A 78 -7.653 -0.945 -2.198 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.215 0.206 0.014 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.512 2.395 -0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.031 2.314 -0.256 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.824 1.113 0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.049 0.597 -0.725 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.042 2.959 -2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.076 1.256 -2.941 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.569 2.223 -2.965 1.00 0.00 H new ATOM 1264 N GLU A 79 -10.948 1.064 -1.618 1.00 0.00 N ATOM 1265 CA GLU A 79 -12.032 1.341 -2.517 1.00 0.00 C ATOM 1266 C GLU A 79 -11.976 2.789 -2.905 1.00 0.00 C ATOM 1267 O GLU A 79 -12.080 3.677 -2.054 1.00 0.00 O ATOM 1268 CB GLU A 79 -13.369 1.017 -1.857 1.00 0.00 C ATOM 1269 CG GLU A 79 -13.506 -0.511 -1.700 1.00 0.00 C ATOM 1270 CD GLU A 79 -14.716 -0.868 -0.853 1.00 0.00 C ATOM 1271 OE1 GLU A 79 -15.467 0.017 -0.499 1.00 0.00 O ATOM 1272 OE2 GLU A 79 -14.873 -2.030 -0.563 1.00 0.00 O ATOM 0 H GLU A 79 -11.079 1.433 -0.676 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.939 0.718 -3.407 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.433 1.501 -0.882 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -14.189 1.407 -2.460 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.597 -0.974 -2.683 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.604 -0.915 -1.240 1.00 0.00 H new ATOM 1279 N SER A 80 -11.800 3.029 -4.173 1.00 0.00 N ATOM 1280 CA SER A 80 -11.732 4.366 -4.689 1.00 0.00 C ATOM 1281 C SER A 80 -13.136 4.839 -4.964 1.00 0.00 C ATOM 1282 O SER A 80 -14.102 4.138 -4.641 1.00 0.00 O ATOM 1283 CB SER A 80 -10.897 4.383 -5.971 1.00 0.00 C ATOM 1284 OG SER A 80 -9.985 3.286 -5.967 1.00 0.00 O ATOM 0 H SER A 80 -11.699 2.301 -4.880 1.00 0.00 H new ATOM 0 HA SER A 80 -11.258 5.030 -3.966 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.550 4.322 -6.842 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.350 5.323 -6.047 1.00 0.00 H new ATOM 0 HG SER A 80 -10.477 2.451 -6.111 1.00 0.00 H new ATOM 1290 N LYS A 81 -13.278 6.014 -5.534 1.00 0.00 N ATOM 1291 CA LYS A 81 -14.607 6.512 -5.784 1.00 0.00 C ATOM 1292 C LYS A 81 -15.289 5.589 -6.801 1.00 0.00 C ATOM 1293 O LYS A 81 -16.513 5.495 -6.849 1.00 0.00 O ATOM 1294 CB LYS A 81 -14.565 7.921 -6.384 1.00 0.00 C ATOM 1295 CG LYS A 81 -13.761 8.933 -5.528 1.00 0.00 C ATOM 1296 CD LYS A 81 -14.288 9.074 -4.086 1.00 0.00 C ATOM 1297 CE LYS A 81 -14.124 10.563 -3.662 1.00 0.00 C ATOM 1298 NZ LYS A 81 -14.090 10.743 -2.187 1.00 0.00 N ATOM 0 H LYS A 81 -12.515 6.625 -5.825 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.149 6.542 -4.839 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.126 7.870 -7.380 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -15.585 8.287 -6.503 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.717 8.621 -5.496 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.787 9.909 -6.013 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.335 8.774 -4.031 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.734 8.422 -3.411 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.204 10.959 -4.093 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.947 11.146 -4.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.449 11.688 -1.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.685 10.020 -1.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.112 10.647 -1.848 1.00 0.00 H new ATOM 1312 N LYS A 82 -14.478 5.050 -7.721 1.00 0.00 N ATOM 1313 CA LYS A 82 -15.005 4.299 -8.864 1.00 0.00 C ATOM 1314 C LYS A 82 -14.305 2.946 -9.050 1.00 0.00 C ATOM 1315 O LYS A 82 -14.700 2.161 -9.922 1.00 0.00 O ATOM 1316 CB LYS A 82 -14.845 5.148 -10.137 1.00 0.00 C ATOM 1317 CG LYS A 82 -15.494 6.522 -9.901 1.00 0.00 C ATOM 1318 CD LYS A 82 -17.020 6.391 -9.978 1.00 0.00 C ATOM 1319 CE LYS A 82 -17.684 7.458 -9.099 1.00 0.00 C ATOM 1320 NZ LYS A 82 -17.045 8.787 -9.289 1.00 0.00 N ATOM 0 H LYS A 82 -13.461 5.120 -7.695 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.057 4.090 -8.671 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -13.789 5.266 -10.382 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -15.315 4.649 -10.985 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -15.201 6.911 -8.926 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -15.142 7.234 -10.647 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -17.351 6.502 -11.011 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -17.325 5.397 -9.650 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -18.745 7.524 -9.342 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -17.614 7.165 -8.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -17.383 9.443 -8.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -16.012 8.689 -9.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.292 9.160 -10.228 1.00 0.00 H new ATOM 1334 N LYS A 83 -13.220 2.716 -8.309 1.00 0.00 N ATOM 1335 CA LYS A 83 -12.432 1.485 -8.450 1.00 0.00 C ATOM 1336 C LYS A 83 -11.949 0.974 -7.107 1.00 0.00 C ATOM 1337 O LYS A 83 -11.764 1.745 -6.177 1.00 0.00 O ATOM 1338 CB LYS A 83 -11.229 1.702 -9.377 1.00 0.00 C ATOM 1339 CG LYS A 83 -11.721 2.061 -10.783 1.00 0.00 C ATOM 1340 CD LYS A 83 -12.416 0.850 -11.419 1.00 0.00 C ATOM 1341 CE LYS A 83 -13.276 1.312 -12.597 1.00 0.00 C ATOM 1342 NZ LYS A 83 -14.701 1.296 -12.175 1.00 0.00 N ATOM 0 H LYS A 83 -12.865 3.363 -7.605 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.091 0.737 -8.890 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.596 2.500 -8.988 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.618 0.800 -9.414 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.412 2.902 -10.732 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.881 2.376 -11.402 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.673 0.129 -11.759 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.036 0.344 -10.679 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.984 2.315 -12.909 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.127 0.656 -13.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.257 1.906 -12.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.066 0.323 -12.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.778 1.647 -11.199 1.00 0.00 H new ATOM 1356 N ILE A 84 -11.629 -0.299 -7.053 1.00 0.00 N ATOM 1357 CA ILE A 84 -11.039 -0.889 -5.868 1.00 0.00 C ATOM 1358 C ILE A 84 -9.554 -1.059 -6.144 1.00 0.00 C ATOM 1359 O ILE A 84 -9.174 -1.592 -7.197 1.00 0.00 O ATOM 1360 CB ILE A 84 -11.693 -2.248 -5.608 1.00 0.00 C ATOM 1361 CG1 ILE A 84 -13.207 -2.061 -5.482 1.00 0.00 C ATOM 1362 CG2 ILE A 84 -11.157 -2.852 -4.304 1.00 0.00 C ATOM 1363 CD1 ILE A 84 -13.891 -3.411 -5.639 1.00 0.00 C ATOM 0 H ILE A 84 -11.768 -0.953 -7.823 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.190 -0.261 -4.990 1.00 0.00 H new ATOM 0 HB ILE A 84 -11.462 -2.918 -6.437 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -13.453 -1.626 -4.513 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -13.565 -1.368 -6.243 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -11.630 -3.819 -4.130 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -10.078 -2.984 -4.381 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.382 -2.183 -3.474 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -14.970 -3.285 -5.550 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -13.654 -3.827 -6.618 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -13.540 -4.089 -4.861 1.00 0.00 H new ATOM 1375 N ALA A 85 -8.722 -0.509 -5.286 1.00 0.00 N ATOM 1376 CA ALA A 85 -7.290 -0.487 -5.534 1.00 0.00 C ATOM 1377 C ALA A 85 -6.523 -1.260 -4.487 1.00 0.00 C ATOM 1378 O ALA A 85 -6.979 -1.430 -3.358 1.00 0.00 O ATOM 1379 CB ALA A 85 -6.778 0.956 -5.605 1.00 0.00 C ATOM 0 H ALA A 85 -9.008 -0.071 -4.411 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.121 -0.974 -6.494 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.704 0.952 -5.791 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.285 1.482 -6.414 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.981 1.461 -4.660 1.00 0.00 H new ATOM 1385 N LEU A 86 -5.345 -1.691 -4.867 1.00 0.00 N ATOM 1386 CA LEU A 86 -4.441 -2.411 -3.993 1.00 0.00 C ATOM 1387 C LEU A 86 -3.201 -1.571 -3.747 1.00 0.00 C ATOM 1388 O LEU A 86 -2.633 -1.018 -4.678 1.00 0.00 O ATOM 1389 CB LEU A 86 -4.084 -3.768 -4.632 1.00 0.00 C ATOM 1390 CG LEU A 86 -2.874 -4.421 -3.940 1.00 0.00 C ATOM 1391 CD1 LEU A 86 -3.199 -4.736 -2.475 1.00 0.00 C ATOM 1392 CD2 LEU A 86 -2.523 -5.719 -4.676 1.00 0.00 C ATOM 0 H LEU A 86 -4.978 -1.551 -5.808 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.918 -2.602 -3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.943 -4.436 -4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.865 -3.626 -5.690 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.030 -3.732 -3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.332 -5.197 -2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.451 -3.814 -1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.045 -5.422 -2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.667 -6.190 -4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.376 -6.397 -4.645 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.277 -5.494 -5.714 1.00 0.00 H new ATOM 1404 N VAL A 87 -2.811 -1.437 -2.499 1.00 0.00 N ATOM 1405 CA VAL A 87 -1.655 -0.628 -2.152 1.00 0.00 C ATOM 1406 C VAL A 87 -0.585 -1.528 -1.571 1.00 0.00 C ATOM 1407 O VAL A 87 -0.884 -2.374 -0.727 1.00 0.00 O ATOM 1408 CB VAL A 87 -2.049 0.445 -1.125 1.00 0.00 C ATOM 1409 CG1 VAL A 87 -0.802 1.180 -0.625 1.00 0.00 C ATOM 1410 CG2 VAL A 87 -3.028 1.449 -1.749 1.00 0.00 C ATOM 0 H VAL A 87 -3.275 -1.877 -1.704 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.276 -0.131 -3.045 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.536 -0.046 -0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.093 1.938 0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.124 0.468 -0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.300 1.658 -1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.297 2.202 -1.009 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.557 1.933 -2.605 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.926 0.926 -2.077 1.00 0.00 H new ATOM 1420 N HIS A 88 0.644 -1.377 -2.053 1.00 0.00 N ATOM 1421 CA HIS A 88 1.761 -2.192 -1.589 1.00 0.00 C ATOM 1422 C HIS A 88 2.891 -1.315 -1.097 1.00 0.00 C ATOM 1423 O HIS A 88 3.362 -0.430 -1.819 1.00 0.00 O ATOM 1424 CB HIS A 88 2.248 -3.111 -2.715 1.00 0.00 C ATOM 1425 CG HIS A 88 3.343 -4.034 -2.223 1.00 0.00 C ATOM 1426 ND1 HIS A 88 4.205 -4.677 -3.094 1.00 0.00 N ATOM 1427 CD2 HIS A 88 3.727 -4.430 -0.964 1.00 0.00 C ATOM 1428 CE1 HIS A 88 5.052 -5.416 -2.358 1.00 0.00 C ATOM 1429 NE2 HIS A 88 4.802 -5.303 -1.055 1.00 0.00 N ATOM 0 H HIS A 88 0.893 -0.694 -2.769 1.00 0.00 H new ATOM 0 HA HIS A 88 1.419 -2.808 -0.757 1.00 0.00 H new ATOM 0 HB2 HIS A 88 1.414 -3.700 -3.095 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.619 -2.510 -3.545 1.00 0.00 H new ATOM 0 HD1 HIS A 88 4.199 -4.603 -4.111 1.00 0.00 H new ATOM 0 HD2 HIS A 88 3.262 -4.110 -0.043 1.00 0.00 H new ATOM 0 HE1 HIS A 88 5.840 -6.027 -2.773 1.00 0.00 H new ATOM 1438 N LEU A 89 3.297 -1.536 0.140 1.00 0.00 N ATOM 1439 CA LEU A 89 4.354 -0.760 0.754 1.00 0.00 C ATOM 1440 C LEU A 89 5.483 -1.651 1.239 1.00 0.00 C ATOM 1441 O LEU A 89 5.258 -2.573 2.036 1.00 0.00 O ATOM 1442 CB LEU A 89 3.799 0.076 1.922 1.00 0.00 C ATOM 1443 CG LEU A 89 4.888 1.034 2.444 1.00 0.00 C ATOM 1444 CD1 LEU A 89 4.253 2.342 2.919 1.00 0.00 C ATOM 1445 CD2 LEU A 89 5.620 0.388 3.618 1.00 0.00 C ATOM 0 H LEU A 89 2.903 -2.257 0.744 1.00 0.00 H new ATOM 0 HA LEU A 89 4.756 -0.088 -0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.929 0.645 1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.465 -0.581 2.725 1.00 0.00 H new ATOM 0 HG LEU A 89 5.589 1.241 1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.031 3.012 3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.729 2.815 2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.546 2.133 3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.389 1.067 3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.910 0.177 4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.084 -0.542 3.290 1.00 0.00 H new ATOM 1457 N GLU A 90 6.704 -1.275 0.888 1.00 0.00 N ATOM 1458 CA GLU A 90 7.886 -1.902 1.433 1.00 0.00 C ATOM 1459 C GLU A 90 8.609 -0.933 2.340 1.00 0.00 C ATOM 1460 O GLU A 90 9.185 0.067 1.878 1.00 0.00 O ATOM 1461 CB GLU A 90 8.838 -2.384 0.337 1.00 0.00 C ATOM 1462 CG GLU A 90 8.650 -3.888 0.106 1.00 0.00 C ATOM 1463 CD GLU A 90 9.759 -4.405 -0.765 1.00 0.00 C ATOM 1464 OE1 GLU A 90 10.902 -4.301 -0.352 1.00 0.00 O ATOM 1465 OE2 GLU A 90 9.474 -4.883 -1.832 1.00 0.00 O ATOM 0 H GLU A 90 6.897 -0.529 0.220 1.00 0.00 H new ATOM 0 HA GLU A 90 7.562 -2.775 2.000 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.648 -1.839 -0.587 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.869 -2.177 0.623 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.647 -4.415 1.060 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.685 -4.076 -0.365 1.00 0.00 H new ATOM 1472 N ALA A 91 8.622 -1.247 3.610 1.00 0.00 N ATOM 1473 CA ALA A 91 9.309 -0.442 4.594 1.00 0.00 C ATOM 1474 C ALA A 91 10.324 -1.283 5.304 1.00 0.00 C ATOM 1475 O ALA A 91 10.225 -2.506 5.305 1.00 0.00 O ATOM 1476 CB ALA A 91 8.316 0.133 5.617 1.00 0.00 C ATOM 0 H ALA A 91 8.156 -2.069 3.994 1.00 0.00 H new ATOM 0 HA ALA A 91 9.802 0.386 4.084 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.855 0.736 6.348 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.584 0.755 5.103 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.804 -0.684 6.126 1.00 0.00 H new ATOM 1482 N LYS A 92 11.238 -0.643 5.985 1.00 0.00 N ATOM 1483 CA LYS A 92 12.171 -1.358 6.817 1.00 0.00 C ATOM 1484 C LYS A 92 12.310 -0.679 8.161 1.00 0.00 C ATOM 1485 O LYS A 92 12.384 0.550 8.239 1.00 0.00 O ATOM 1486 CB LYS A 92 13.543 -1.531 6.142 1.00 0.00 C ATOM 1487 CG LYS A 92 14.222 -0.168 5.923 1.00 0.00 C ATOM 1488 CD LYS A 92 15.652 -0.398 5.410 1.00 0.00 C ATOM 1489 CE LYS A 92 16.395 0.936 5.308 1.00 0.00 C ATOM 1490 NZ LYS A 92 15.817 1.751 4.211 1.00 0.00 N ATOM 0 H LYS A 92 11.357 0.370 5.980 1.00 0.00 H new ATOM 0 HA LYS A 92 11.768 -2.359 6.970 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.180 -2.164 6.760 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.421 -2.039 5.185 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.655 0.424 5.205 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.243 0.396 6.855 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.185 -1.069 6.084 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.623 -0.883 4.434 1.00 0.00 H new ATOM 0 HE2 LYS A 92 16.322 1.476 6.252 1.00 0.00 H new ATOM 0 HE3 LYS A 92 17.455 0.759 5.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 16.368 2.626 4.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 15.847 1.210 3.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 14.830 1.989 4.438 1.00 0.00 H new ATOM 1504 N GLU A 93 12.377 -1.464 9.216 1.00 0.00 N ATOM 1505 CA GLU A 93 12.551 -0.896 10.534 1.00 0.00 C ATOM 1506 C GLU A 93 14.010 -0.573 10.721 1.00 0.00 C ATOM 1507 O GLU A 93 14.865 -1.441 10.519 1.00 0.00 O ATOM 1508 CB GLU A 93 12.117 -1.886 11.610 1.00 0.00 C ATOM 1509 CG GLU A 93 10.599 -2.147 11.517 1.00 0.00 C ATOM 1510 CD GLU A 93 10.180 -3.208 12.522 1.00 0.00 C ATOM 1511 OE1 GLU A 93 11.019 -3.644 13.294 1.00 0.00 O ATOM 1512 OE2 GLU A 93 9.021 -3.580 12.502 1.00 0.00 O ATOM 0 H GLU A 93 12.315 -2.482 9.188 1.00 0.00 H new ATOM 0 HA GLU A 93 11.939 0.002 10.623 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.662 -2.823 11.493 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.366 -1.494 12.596 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.053 -1.223 11.706 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.340 -2.470 10.509 1.00 0.00 H new ATOM 1519 N SER A 94 14.304 0.666 11.055 1.00 0.00 N ATOM 1520 CA SER A 94 15.671 1.068 11.247 1.00 0.00 C ATOM 1521 C SER A 94 16.277 0.293 12.421 1.00 0.00 C ATOM 1522 O SER A 94 16.755 -0.833 12.245 1.00 0.00 O ATOM 1523 CB SER A 94 15.747 2.579 11.454 1.00 0.00 C ATOM 1524 OG SER A 94 14.637 3.196 10.789 1.00 0.00 O ATOM 0 H SER A 94 13.615 1.405 11.197 1.00 0.00 H new ATOM 0 HA SER A 94 16.256 0.832 10.358 1.00 0.00 H new ATOM 0 HB2 SER A 94 15.727 2.815 12.518 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.686 2.967 11.059 1.00 0.00 H new ATOM 0 HG SER A 94 14.802 3.211 9.823 1.00 0.00 H new ATOM 1604 N GLN A 99 9.187 5.044 13.502 1.00 0.00 N ATOM 1605 CA GLN A 99 8.514 4.351 12.401 1.00 0.00 C ATOM 1606 C GLN A 99 9.533 3.657 11.498 1.00 0.00 C ATOM 1607 O GLN A 99 10.648 4.155 11.315 1.00 0.00 O ATOM 1608 CB GLN A 99 7.657 5.325 11.567 1.00 0.00 C ATOM 1609 CG GLN A 99 7.144 6.490 12.440 1.00 0.00 C ATOM 1610 CD GLN A 99 5.694 6.278 12.836 1.00 0.00 C ATOM 1611 OE1 GLN A 99 4.956 7.248 13.003 1.00 0.00 O ATOM 1612 NE2 GLN A 99 5.225 5.074 12.984 1.00 0.00 N ATOM 0 HA GLN A 99 7.856 3.601 12.839 1.00 0.00 H new ATOM 0 HB2 GLN A 99 8.247 5.718 10.739 1.00 0.00 H new ATOM 0 HB3 GLN A 99 6.812 4.792 11.132 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.760 6.576 13.335 1.00 0.00 H new ATOM 0 HG3 GLN A 99 7.242 7.428 11.894 1.00 0.00 H new ATOM 0 HE21 GLN A 99 5.835 4.268 12.846 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.247 4.935 13.238 1.00 0.00 H new ATOM 1621 N PRO A 100 9.142 2.596 10.836 1.00 0.00 N ATOM 1622 CA PRO A 100 10.027 1.950 9.838 1.00 0.00 C ATOM 1623 C PRO A 100 10.288 2.888 8.667 1.00 0.00 C ATOM 1624 O PRO A 100 9.430 3.700 8.311 1.00 0.00 O ATOM 1625 CB PRO A 100 9.240 0.727 9.349 1.00 0.00 C ATOM 1626 CG PRO A 100 8.003 0.650 10.192 1.00 0.00 C ATOM 1627 CD PRO A 100 8.176 1.625 11.360 1.00 0.00 C ATOM 0 HA PRO A 100 10.995 1.687 10.265 1.00 0.00 H new ATOM 0 HB2 PRO A 100 8.985 0.827 8.294 1.00 0.00 H new ATOM 0 HB3 PRO A 100 9.834 -0.181 9.449 1.00 0.00 H new ATOM 0 HG2 PRO A 100 7.123 0.909 9.604 1.00 0.00 H new ATOM 0 HG3 PRO A 100 7.853 -0.365 10.560 1.00 0.00 H new ATOM 0 HD2 PRO A 100 7.234 2.100 11.633 1.00 0.00 H new ATOM 0 HD3 PRO A 100 8.551 1.124 12.253 1.00 0.00 H new ATOM 1635 N ASP A 101 11.434 2.738 8.037 1.00 0.00 N ATOM 1636 CA ASP A 101 11.753 3.518 6.852 1.00 0.00 C ATOM 1637 C ASP A 101 10.956 2.980 5.677 1.00 0.00 C ATOM 1638 O ASP A 101 10.890 1.765 5.484 1.00 0.00 O ATOM 1639 CB ASP A 101 13.253 3.400 6.535 1.00 0.00 C ATOM 1640 CG ASP A 101 14.093 4.072 7.600 1.00 0.00 C ATOM 1641 OD1 ASP A 101 13.990 5.273 7.734 1.00 0.00 O ATOM 1642 OD2 ASP A 101 14.853 3.385 8.252 1.00 0.00 O ATOM 0 H ASP A 101 12.163 2.084 8.323 1.00 0.00 H new ATOM 0 HA ASP A 101 11.503 4.564 7.030 1.00 0.00 H new ATOM 0 HB2 ASP A 101 13.530 2.348 6.460 1.00 0.00 H new ATOM 0 HB3 ASP A 101 13.459 3.854 5.566 1.00 0.00 H new ATOM 1647 N PHE A 102 10.425 3.870 4.842 1.00 0.00 N ATOM 1648 CA PHE A 102 9.709 3.431 3.648 1.00 0.00 C ATOM 1649 C PHE A 102 10.688 3.290 2.507 1.00 0.00 C ATOM 1650 O PHE A 102 11.221 4.295 2.014 1.00 0.00 O ATOM 1651 CB PHE A 102 8.633 4.450 3.229 1.00 0.00 C ATOM 1652 CG PHE A 102 7.630 4.682 4.333 1.00 0.00 C ATOM 1653 CD1 PHE A 102 6.760 3.658 4.718 1.00 0.00 C ATOM 1654 CD2 PHE A 102 7.557 5.934 4.959 1.00 0.00 C ATOM 1655 CE1 PHE A 102 5.820 3.883 5.726 1.00 0.00 C ATOM 1656 CE2 PHE A 102 6.617 6.157 5.967 1.00 0.00 C ATOM 1657 CZ PHE A 102 5.746 5.134 6.351 1.00 0.00 C ATOM 0 H PHE A 102 10.475 4.881 4.966 1.00 0.00 H new ATOM 0 HA PHE A 102 9.228 2.480 3.877 1.00 0.00 H new ATOM 0 HB2 PHE A 102 9.108 5.394 2.964 1.00 0.00 H new ATOM 0 HB3 PHE A 102 8.118 4.091 2.338 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.815 2.693 4.236 1.00 0.00 H new ATOM 0 HD2 PHE A 102 8.228 6.726 4.662 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.149 3.091 6.024 1.00 0.00 H new ATOM 0 HE2 PHE A 102 6.563 7.121 6.450 1.00 0.00 H new ATOM 0 HZ PHE A 102 5.017 5.308 7.129 1.00 0.00 H new ATOM 1667 N ILE A 103 10.946 2.066 2.079 1.00 0.00 N ATOM 1668 CA ILE A 103 11.839 1.865 0.958 1.00 0.00 C ATOM 1669 C ILE A 103 11.083 2.124 -0.334 1.00 0.00 C ATOM 1670 O ILE A 103 11.488 2.943 -1.154 1.00 0.00 O ATOM 1671 CB ILE A 103 12.413 0.437 0.957 1.00 0.00 C ATOM 1672 CG1 ILE A 103 13.153 0.170 2.278 1.00 0.00 C ATOM 1673 CG2 ILE A 103 13.414 0.294 -0.205 1.00 0.00 C ATOM 1674 CD1 ILE A 103 13.518 -1.316 2.364 1.00 0.00 C ATOM 0 H ILE A 103 10.557 1.214 2.483 1.00 0.00 H new ATOM 0 HA ILE A 103 12.674 2.561 1.044 1.00 0.00 H new ATOM 0 HB ILE A 103 11.596 -0.276 0.843 1.00 0.00 H new ATOM 0 HG12 ILE A 103 14.054 0.781 2.333 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.525 0.451 3.123 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.824 -0.716 -0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.904 0.484 -1.150 1.00 0.00 H new ATOM 0 HG23 ILE A 103 14.223 1.013 -0.079 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.043 -1.508 3.300 1.00 0.00 H new ATOM 0 HD12 ILE A 103 12.609 -1.917 2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 103 14.162 -1.582 1.526 1.00 0.00 H new ATOM 1686 N ASN A 104 9.945 1.458 -0.471 1.00 0.00 N ATOM 1687 CA ASN A 104 9.092 1.591 -1.648 1.00 0.00 C ATOM 1688 C ASN A 104 7.642 1.462 -1.266 1.00 0.00 C ATOM 1689 O ASN A 104 7.302 0.740 -0.335 1.00 0.00 O ATOM 1690 CB ASN A 104 9.435 0.508 -2.678 1.00 0.00 C ATOM 1691 CG ASN A 104 8.315 0.349 -3.698 1.00 0.00 C ATOM 1692 OD1 ASN A 104 7.714 -0.715 -3.803 1.00 0.00 O ATOM 1693 ND2 ASN A 104 7.996 1.345 -4.460 1.00 0.00 N ATOM 0 H ASN A 104 9.585 0.810 0.230 1.00 0.00 H new ATOM 0 HA ASN A 104 9.265 2.576 -2.081 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.362 0.768 -3.189 1.00 0.00 H new ATOM 0 HB3 ASN A 104 9.606 -0.441 -2.170 1.00 0.00 H new ATOM 0 HD21 ASN A 104 7.247 1.244 -5.145 1.00 0.00 H new ATOM 0 HD22 ASN A 104 8.493 2.231 -4.376 1.00 0.00 H new ATOM 1700 N MET A 105 6.782 2.086 -2.034 1.00 0.00 N ATOM 1701 CA MET A 105 5.355 1.957 -1.833 1.00 0.00 C ATOM 1702 C MET A 105 4.619 2.385 -3.087 1.00 0.00 C ATOM 1703 O MET A 105 4.969 3.409 -3.703 1.00 0.00 O ATOM 1704 CB MET A 105 4.898 2.723 -0.562 1.00 0.00 C ATOM 1705 CG MET A 105 4.125 3.989 -0.914 1.00 0.00 C ATOM 1706 SD MET A 105 2.475 3.554 -1.514 1.00 0.00 S ATOM 1707 CE MET A 105 1.799 2.973 0.062 1.00 0.00 C ATOM 0 H MET A 105 7.046 2.693 -2.810 1.00 0.00 H new ATOM 0 HA MET A 105 5.105 0.911 -1.654 1.00 0.00 H new ATOM 0 HB2 MET A 105 4.272 2.073 0.049 1.00 0.00 H new ATOM 0 HB3 MET A 105 5.769 2.984 0.039 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.045 4.633 -0.038 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.662 4.554 -1.676 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.738 3.217 0.115 1.00 0.00 H new ATOM 0 HE2 MET A 105 1.927 1.893 0.137 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.324 3.459 0.884 1.00 0.00 H new ATOM 1717 N TYR A 106 3.685 1.559 -3.530 1.00 0.00 N ATOM 1718 CA TYR A 106 2.977 1.812 -4.773 1.00 0.00 C ATOM 1719 C TYR A 106 1.541 1.339 -4.704 1.00 0.00 C ATOM 1720 O TYR A 106 1.155 0.597 -3.785 1.00 0.00 O ATOM 1721 CB TYR A 106 3.697 1.179 -5.972 1.00 0.00 C ATOM 1722 CG TYR A 106 3.791 -0.316 -5.811 1.00 0.00 C ATOM 1723 CD1 TYR A 106 4.866 -0.879 -5.122 1.00 0.00 C ATOM 1724 CD2 TYR A 106 2.808 -1.141 -6.365 1.00 0.00 C ATOM 1725 CE1 TYR A 106 4.957 -2.266 -4.987 1.00 0.00 C ATOM 1726 CE2 TYR A 106 2.907 -2.526 -6.234 1.00 0.00 C ATOM 1727 CZ TYR A 106 3.981 -3.086 -5.546 1.00 0.00 C ATOM 1728 OH TYR A 106 4.084 -4.450 -5.427 1.00 0.00 O ATOM 0 H TYR A 106 3.400 0.707 -3.047 1.00 0.00 H new ATOM 0 HA TYR A 106 2.968 2.892 -4.917 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.161 1.417 -6.891 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.697 1.603 -6.067 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.627 -0.243 -4.694 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.973 -0.706 -6.894 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.785 -2.703 -4.449 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.151 -3.165 -6.666 1.00 0.00 H new ATOM 0 HH TYR A 106 4.289 -4.840 -6.302 1.00 0.00 H new ATOM 1738 N VAL A 107 0.738 1.809 -5.646 1.00 0.00 N ATOM 1739 CA VAL A 107 -0.674 1.492 -5.668 1.00 0.00 C ATOM 1740 C VAL A 107 -1.031 0.715 -6.941 1.00 0.00 C ATOM 1741 O VAL A 107 -0.688 1.131 -8.062 1.00 0.00 O ATOM 1742 CB VAL A 107 -1.502 2.799 -5.570 1.00 0.00 C ATOM 1743 CG1 VAL A 107 -1.682 3.427 -6.949 1.00 0.00 C ATOM 1744 CG2 VAL A 107 -2.871 2.534 -4.934 1.00 0.00 C ATOM 0 H VAL A 107 1.046 2.414 -6.407 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.912 0.860 -4.812 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.953 3.494 -4.935 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.266 4.343 -6.858 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -0.705 3.660 -7.373 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.204 2.727 -7.602 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.432 3.467 -4.877 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.422 1.816 -5.542 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.734 2.131 -3.931 1.00 0.00 H new ATOM 1754 N ASP A 108 -1.732 -0.387 -6.757 1.00 0.00 N ATOM 1755 CA ASP A 108 -2.212 -1.210 -7.853 1.00 0.00 C ATOM 1756 C ASP A 108 -3.704 -0.949 -8.046 1.00 0.00 C ATOM 1757 O ASP A 108 -4.526 -1.354 -7.209 1.00 0.00 O ATOM 1758 CB ASP A 108 -1.985 -2.706 -7.529 1.00 0.00 C ATOM 1759 CG ASP A 108 -0.503 -3.058 -7.499 1.00 0.00 C ATOM 1760 OD1 ASP A 108 0.240 -2.520 -8.299 1.00 0.00 O ATOM 1761 OD2 ASP A 108 -0.127 -3.885 -6.676 1.00 0.00 O ATOM 0 H ASP A 108 -1.987 -0.740 -5.835 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.668 -0.961 -8.764 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -2.434 -2.942 -6.564 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.490 -3.320 -8.274 1.00 0.00 H new ATOM 1766 N VAL A 109 -4.061 -0.287 -9.135 1.00 0.00 N ATOM 1767 CA VAL A 109 -5.459 0.028 -9.425 1.00 0.00 C ATOM 1768 C VAL A 109 -5.866 -0.588 -10.761 1.00 0.00 C ATOM 1769 O VAL A 109 -5.197 -0.380 -11.774 1.00 0.00 O ATOM 1770 CB VAL A 109 -5.664 1.559 -9.461 1.00 0.00 C ATOM 1771 CG1 VAL A 109 -7.139 1.905 -9.238 1.00 0.00 C ATOM 1772 CG2 VAL A 109 -4.809 2.238 -8.380 1.00 0.00 C ATOM 0 H VAL A 109 -3.402 0.046 -9.838 1.00 0.00 H new ATOM 0 HA VAL A 109 -6.085 -0.390 -8.637 1.00 0.00 H new ATOM 0 HB VAL A 109 -5.356 1.922 -10.442 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.267 2.987 -9.266 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.743 1.448 -10.022 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -7.459 1.527 -8.267 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.964 3.316 -8.418 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -5.099 1.864 -7.398 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.756 2.016 -8.556 1.00 0.00 H new ATOM 1782 N PRO A 110 -6.915 -1.372 -10.784 1.00 0.00 N ATOM 1783 CA PRO A 110 -7.326 -2.061 -12.040 1.00 0.00 C ATOM 1784 C PRO A 110 -7.557 -1.065 -13.171 1.00 0.00 C ATOM 1785 O PRO A 110 -8.444 -0.207 -13.087 1.00 0.00 O ATOM 1786 CB PRO A 110 -8.637 -2.766 -11.658 1.00 0.00 C ATOM 1787 CG PRO A 110 -9.187 -1.978 -10.509 1.00 0.00 C ATOM 1788 CD PRO A 110 -7.985 -1.406 -9.762 1.00 0.00 C ATOM 0 HA PRO A 110 -6.563 -2.748 -12.406 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.335 -2.780 -12.495 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -8.458 -3.803 -11.374 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -9.840 -1.180 -10.863 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -9.785 -2.612 -9.854 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -8.195 -0.411 -9.370 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -7.707 -2.031 -8.913 1.00 0.00 H new ATOM 1796 N GLY A 111 -6.800 -1.222 -14.245 1.00 0.00 N ATOM 1797 CA GLY A 111 -6.940 -0.366 -15.417 1.00 0.00 C ATOM 1798 C GLY A 111 -5.951 0.800 -15.390 1.00 0.00 C ATOM 1799 O GLY A 111 -5.810 1.524 -16.385 1.00 0.00 O ATOM 0 H GLY A 111 -6.078 -1.937 -14.331 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -6.781 -0.956 -16.319 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -7.958 0.022 -15.465 1.00 0.00 H new ATOM 1803 N GLU A 112 -5.277 0.994 -14.258 1.00 0.00 N ATOM 1804 CA GLU A 112 -4.326 2.098 -14.108 1.00 0.00 C ATOM 1805 C GLU A 112 -2.908 1.563 -13.917 1.00 0.00 C ATOM 1806 O GLU A 112 -2.711 0.532 -13.275 1.00 0.00 O ATOM 1807 CB GLU A 112 -4.697 2.944 -12.895 1.00 0.00 C ATOM 1808 CG GLU A 112 -6.124 3.523 -13.032 1.00 0.00 C ATOM 1809 CD GLU A 112 -6.221 4.507 -14.186 1.00 0.00 C ATOM 1810 OE1 GLU A 112 -5.201 5.001 -14.623 1.00 0.00 O ATOM 1811 OE2 GLU A 112 -7.319 4.760 -14.620 1.00 0.00 O ATOM 0 H GLU A 112 -5.370 0.403 -13.432 1.00 0.00 H new ATOM 0 HA GLU A 112 -4.365 2.705 -15.013 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -4.633 2.337 -11.992 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -3.981 3.758 -12.783 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -6.834 2.710 -13.186 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.406 4.021 -12.104 1.00 0.00 H new ATOM 1818 N LYS A 113 -1.919 2.278 -14.434 1.00 0.00 N ATOM 1819 CA LYS A 113 -0.544 1.868 -14.265 1.00 0.00 C ATOM 1820 C LYS A 113 -0.186 1.916 -12.795 1.00 0.00 C ATOM 1821 O LYS A 113 -0.534 2.876 -12.092 1.00 0.00 O ATOM 1822 CB LYS A 113 0.401 2.804 -15.019 1.00 0.00 C ATOM 1823 CG LYS A 113 -0.071 2.973 -16.461 1.00 0.00 C ATOM 1824 CD LYS A 113 -0.189 1.603 -17.122 1.00 0.00 C ATOM 1825 CE LYS A 113 -0.152 1.727 -18.657 1.00 0.00 C ATOM 1826 NZ LYS A 113 0.210 3.114 -19.065 1.00 0.00 N ATOM 0 H LYS A 113 -2.047 3.137 -14.969 1.00 0.00 H new ATOM 0 HA LYS A 113 -0.438 0.857 -14.658 1.00 0.00 H new ATOM 0 HB2 LYS A 113 0.437 3.774 -14.523 1.00 0.00 H new ATOM 0 HB3 LYS A 113 1.414 2.401 -15.004 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -1.034 3.483 -16.482 1.00 0.00 H new ATOM 0 HG3 LYS A 113 0.632 3.596 -17.014 1.00 0.00 H new ATOM 0 HD2 LYS A 113 0.625 0.961 -16.785 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -1.119 1.125 -16.814 1.00 0.00 H new ATOM 0 HE2 LYS A 113 0.571 1.022 -19.066 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -1.125 1.463 -19.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 0.263 3.168 -20.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -0.513 3.777 -18.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 1.133 3.366 -18.658 1.00 0.00 H new ATOM 1840 N ARG A 114 0.541 0.916 -12.347 1.00 0.00 N ATOM 1841 CA ARG A 114 0.969 0.854 -10.959 1.00 0.00 C ATOM 1842 C ARG A 114 1.712 2.138 -10.599 1.00 0.00 C ATOM 1843 O ARG A 114 2.733 2.474 -11.219 1.00 0.00 O ATOM 1844 CB ARG A 114 1.869 -0.374 -10.760 1.00 0.00 C ATOM 1845 CG ARG A 114 3.186 -0.190 -11.532 1.00 0.00 C ATOM 1846 CD ARG A 114 3.900 -1.530 -11.656 1.00 0.00 C ATOM 1847 NE ARG A 114 5.256 -1.357 -12.179 1.00 0.00 N ATOM 1848 CZ ARG A 114 5.492 -1.001 -13.445 1.00 0.00 C ATOM 1849 NH1 ARG A 114 4.495 -0.742 -14.244 1.00 0.00 N ATOM 1850 NH2 ARG A 114 6.720 -0.899 -13.873 1.00 0.00 N ATOM 0 H ARG A 114 0.850 0.132 -12.921 1.00 0.00 H new ATOM 0 HA ARG A 114 0.103 0.761 -10.304 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.076 -0.515 -9.699 1.00 0.00 H new ATOM 0 HB3 ARG A 114 1.356 -1.271 -11.107 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.984 0.218 -12.522 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.824 0.527 -11.016 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.942 -2.015 -10.681 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.334 -2.188 -12.315 1.00 0.00 H new ATOM 0 HE ARG A 114 6.048 -1.514 -11.556 1.00 0.00 H new ATOM 0 HH11 ARG A 114 3.536 -0.811 -13.902 1.00 0.00 H new ATOM 0 HH12 ARG A 114 4.674 -0.470 -15.211 1.00 0.00 H new ATOM 0 HH21 ARG A 114 7.498 -1.091 -13.242 1.00 0.00 H new ATOM 0 HH22 ARG A 114 6.902 -0.627 -14.839 1.00 0.00 H new ATOM 1864 N TYR A 115 1.176 2.886 -9.655 1.00 0.00 N ATOM 1865 CA TYR A 115 1.775 4.157 -9.283 1.00 0.00 C ATOM 1866 C TYR A 115 2.658 3.986 -8.077 1.00 0.00 C ATOM 1867 O TYR A 115 2.220 3.469 -7.044 1.00 0.00 O ATOM 1868 CB TYR A 115 0.696 5.202 -9.000 1.00 0.00 C ATOM 1869 CG TYR A 115 1.337 6.519 -8.640 1.00 0.00 C ATOM 1870 CD1 TYR A 115 1.689 7.426 -9.643 1.00 0.00 C ATOM 1871 CD2 TYR A 115 1.580 6.828 -7.299 1.00 0.00 C ATOM 1872 CE1 TYR A 115 2.285 8.637 -9.301 1.00 0.00 C ATOM 1873 CE2 TYR A 115 2.174 8.037 -6.961 1.00 0.00 C ATOM 1874 CZ TYR A 115 2.525 8.941 -7.960 1.00 0.00 C ATOM 1875 OH TYR A 115 3.124 10.133 -7.624 1.00 0.00 O ATOM 0 H TYR A 115 0.334 2.641 -9.134 1.00 0.00 H new ATOM 0 HA TYR A 115 2.382 4.505 -10.119 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.059 5.325 -9.876 1.00 0.00 H new ATOM 0 HB3 TYR A 115 0.056 4.865 -8.185 1.00 0.00 H new ATOM 0 HD1 TYR A 115 1.500 7.189 -10.679 1.00 0.00 H new ATOM 0 HD2 TYR A 115 1.306 6.126 -6.525 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.561 9.340 -10.073 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.363 8.276 -5.925 1.00 0.00 H new ATOM 0 HH TYR A 115 2.550 10.877 -7.901 1.00 0.00 H new ATOM 1885 N TYR A 116 3.884 4.456 -8.189 1.00 0.00 N ATOM 1886 CA TYR A 116 4.833 4.372 -7.104 1.00 0.00 C ATOM 1887 C TYR A 116 4.808 5.640 -6.278 1.00 0.00 C ATOM 1888 O TYR A 116 5.482 6.618 -6.604 1.00 0.00 O ATOM 1889 CB TYR A 116 6.248 4.158 -7.657 1.00 0.00 C ATOM 1890 CG TYR A 116 6.521 2.689 -7.903 1.00 0.00 C ATOM 1891 CD1 TYR A 116 5.726 1.954 -8.792 1.00 0.00 C ATOM 1892 CD2 TYR A 116 7.592 2.068 -7.248 1.00 0.00 C ATOM 1893 CE1 TYR A 116 6.007 0.603 -9.021 1.00 0.00 C ATOM 1894 CE2 TYR A 116 7.866 0.720 -7.476 1.00 0.00 C ATOM 1895 CZ TYR A 116 7.079 -0.010 -8.362 1.00 0.00 C ATOM 1896 OH TYR A 116 7.364 -1.339 -8.592 1.00 0.00 O ATOM 0 H TYR A 116 4.246 4.904 -9.031 1.00 0.00 H new ATOM 0 HA TYR A 116 4.556 3.528 -6.472 1.00 0.00 H new ATOM 0 HB2 TYR A 116 6.366 4.714 -8.587 1.00 0.00 H new ATOM 0 HB3 TYR A 116 6.980 4.554 -6.954 1.00 0.00 H new ATOM 0 HD1 TYR A 116 4.899 2.429 -9.299 1.00 0.00 H new ATOM 0 HD2 TYR A 116 8.207 2.635 -6.565 1.00 0.00 H new ATOM 0 HE1 TYR A 116 5.397 0.033 -9.706 1.00 0.00 H new ATOM 0 HE2 TYR A 116 8.689 0.242 -6.965 1.00 0.00 H new ATOM 0 HH TYR A 116 8.140 -1.605 -8.055 1.00 0.00 H new ATOM 1906 N LEU A 117 4.108 5.587 -5.163 1.00 0.00 N ATOM 1907 CA LEU A 117 4.094 6.689 -4.221 1.00 0.00 C ATOM 1908 C LEU A 117 5.492 6.894 -3.662 1.00 0.00 C ATOM 1909 O LEU A 117 5.968 8.024 -3.548 1.00 0.00 O ATOM 1910 CB LEU A 117 3.101 6.398 -3.089 1.00 0.00 C ATOM 1911 CG LEU A 117 3.126 7.515 -2.035 1.00 0.00 C ATOM 1912 CD1 LEU A 117 2.697 8.843 -2.659 1.00 0.00 C ATOM 1913 CD2 LEU A 117 2.181 7.153 -0.886 1.00 0.00 C ATOM 0 H LEU A 117 3.538 4.788 -4.886 1.00 0.00 H new ATOM 0 HA LEU A 117 3.779 7.599 -4.731 1.00 0.00 H new ATOM 0 HB2 LEU A 117 2.095 6.302 -3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.347 5.445 -2.620 1.00 0.00 H new ATOM 0 HG LEU A 117 4.141 7.620 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.719 9.625 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.380 9.102 -3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.685 8.749 -3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.198 7.945 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 117 1.168 7.039 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 117 2.504 6.217 -0.431 1.00 0.00 H new ATOM 1925 N ILE A 118 6.144 5.789 -3.322 1.00 0.00 N ATOM 1926 CA ILE A 118 7.495 5.827 -2.782 1.00 0.00 C ATOM 1927 C ILE A 118 8.435 5.000 -3.662 1.00 0.00 C ATOM 1928 O ILE A 118 8.168 3.817 -3.939 1.00 0.00 O ATOM 1929 CB ILE A 118 7.487 5.302 -1.333 1.00 0.00 C ATOM 1930 CG1 ILE A 118 6.592 6.209 -0.469 1.00 0.00 C ATOM 1931 CG2 ILE A 118 8.907 5.305 -0.756 1.00 0.00 C ATOM 1932 CD1 ILE A 118 6.402 5.590 0.918 1.00 0.00 C ATOM 0 H ILE A 118 5.755 4.850 -3.412 1.00 0.00 H new ATOM 0 HA ILE A 118 7.857 6.855 -2.775 1.00 0.00 H new ATOM 0 HB ILE A 118 7.103 4.282 -1.330 1.00 0.00 H new ATOM 0 HG12 ILE A 118 7.043 7.197 -0.377 1.00 0.00 H new ATOM 0 HG13 ILE A 118 5.624 6.344 -0.951 1.00 0.00 H new ATOM 0 HG21 ILE A 118 8.885 4.932 0.268 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.547 4.664 -1.362 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.300 6.322 -0.763 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.768 6.239 1.522 1.00 0.00 H new ATOM 0 HD12 ILE A 118 5.931 4.612 0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.372 5.478 1.402 1.00 0.00 H new ATOM 1944 N LYS A 119 9.515 5.626 -4.121 1.00 0.00 N ATOM 1945 CA LYS A 119 10.474 4.963 -4.999 1.00 0.00 C ATOM 1946 C LYS A 119 11.571 4.261 -4.194 1.00 0.00 C ATOM 1947 O LYS A 119 12.313 4.912 -3.457 1.00 0.00 O ATOM 1948 CB LYS A 119 11.123 5.976 -5.964 1.00 0.00 C ATOM 1949 CG LYS A 119 10.087 7.002 -6.469 1.00 0.00 C ATOM 1950 CD LYS A 119 8.988 6.295 -7.286 1.00 0.00 C ATOM 1951 CE LYS A 119 8.205 7.328 -8.125 1.00 0.00 C ATOM 1952 NZ LYS A 119 8.176 8.630 -7.418 1.00 0.00 N ATOM 0 H LYS A 119 9.748 6.594 -3.899 1.00 0.00 H new ATOM 0 HA LYS A 119 9.925 4.217 -5.573 1.00 0.00 H new ATOM 0 HB2 LYS A 119 11.937 6.495 -5.458 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.560 5.448 -6.812 1.00 0.00 H new ATOM 0 HG2 LYS A 119 9.641 7.525 -5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 119 10.580 7.754 -7.085 1.00 0.00 H new ATOM 0 HD2 LYS A 119 9.435 5.547 -7.940 1.00 0.00 H new ATOM 0 HD3 LYS A 119 8.308 5.768 -6.617 1.00 0.00 H new ATOM 0 HE2 LYS A 119 8.672 7.445 -9.103 1.00 0.00 H new ATOM 0 HE3 LYS A 119 7.188 6.975 -8.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 7.428 9.228 -7.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 7.985 8.472 -6.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 9.095 9.104 -7.526 1.00 0.00 H new ATOM 1966 N PRO A 120 11.747 2.975 -4.392 1.00 0.00 N ATOM 1967 CA PRO A 120 12.864 2.233 -3.750 1.00 0.00 C ATOM 1968 C PRO A 120 14.191 2.650 -4.344 1.00 0.00 C ATOM 1969 O PRO A 120 14.241 3.220 -5.438 1.00 0.00 O ATOM 1970 CB PRO A 120 12.566 0.772 -4.071 1.00 0.00 C ATOM 1971 CG PRO A 120 11.819 0.805 -5.362 1.00 0.00 C ATOM 1972 CD PRO A 120 11.131 2.176 -5.465 1.00 0.00 C ATOM 0 HA PRO A 120 12.936 2.422 -2.679 1.00 0.00 H new ATOM 0 HB2 PRO A 120 13.485 0.192 -4.161 1.00 0.00 H new ATOM 0 HB3 PRO A 120 11.972 0.308 -3.283 1.00 0.00 H new ATOM 0 HG2 PRO A 120 12.498 0.653 -6.201 1.00 0.00 H new ATOM 0 HG3 PRO A 120 11.082 0.003 -5.399 1.00 0.00 H new ATOM 0 HD2 PRO A 120 11.294 2.630 -6.442 1.00 0.00 H new ATOM 0 HD3 PRO A 120 10.053 2.091 -5.329 1.00 0.00 H new ATOM 1980 N LYS A 121 15.254 2.380 -3.632 1.00 0.00 N ATOM 1981 CA LYS A 121 16.573 2.732 -4.105 1.00 0.00 C ATOM 1982 C LYS A 121 16.917 1.852 -5.302 1.00 0.00 C ATOM 1983 O LYS A 121 17.645 0.858 -5.184 1.00 0.00 O ATOM 1984 CB LYS A 121 17.625 2.580 -2.981 1.00 0.00 C ATOM 1985 CG LYS A 121 16.948 2.464 -1.585 1.00 0.00 C ATOM 1986 CD LYS A 121 15.918 3.608 -1.361 1.00 0.00 C ATOM 1987 CE LYS A 121 16.411 4.608 -0.297 1.00 0.00 C ATOM 1988 NZ LYS A 121 17.878 4.515 -0.130 1.00 0.00 N ATOM 0 H LYS A 121 15.235 1.918 -2.723 1.00 0.00 H new ATOM 0 HA LYS A 121 16.581 3.778 -4.411 1.00 0.00 H new ATOM 0 HB2 LYS A 121 18.234 1.695 -3.167 1.00 0.00 H new ATOM 0 HB3 LYS A 121 18.298 3.438 -2.991 1.00 0.00 H new ATOM 0 HG2 LYS A 121 16.448 1.499 -1.500 1.00 0.00 H new ATOM 0 HG3 LYS A 121 17.709 2.499 -0.805 1.00 0.00 H new ATOM 0 HD2 LYS A 121 15.743 4.131 -2.301 1.00 0.00 H new ATOM 0 HD3 LYS A 121 14.963 3.184 -1.050 1.00 0.00 H new ATOM 0 HE2 LYS A 121 16.137 5.622 -0.589 1.00 0.00 H new ATOM 0 HE3 LYS A 121 15.918 4.406 0.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 18.231 5.380 0.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 18.109 3.692 0.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 18.327 4.408 -1.062 1.00 0.00 H new