USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 249 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 90 THR OG1 : rot -62:sc= 0.86 USER MOD Set 1.2: A 92 MET CE :methyl 145:sc= -0.0517 (180deg=-0.685) USER MOD Set 2.1: A 74 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 94 THR OG1 : rot 180:sc= -0.264 USER MOD Set 3.1: A 17 ASN : amide:sc= -0.662 K(o=-0.66,f=-4.6!) USER MOD Set 3.2: A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -117:sc= 0 (180deg=-0.0121) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0102 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -117:sc= -1.81 (180deg=-4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 131:sc= 1.28 USER MOD Single : A 23 TYR OH : rot -161:sc= 1.39 USER MOD Single : A 25 ASN : amide:sc= 0.0933 X(o=0.093,f=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.0186 X(o=-0.019,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.0869 F(o=-0.82,f=-0.087) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -44:sc= 0.409 USER MOD Single : A 47 THR OG1 : rot -79:sc= 0.0819 USER MOD Single : A 48 SER OG : rot 53:sc= 0.0236 USER MOD Single : A 51 SER OG : rot 39:sc= 0.0453 USER MOD Single : A 53 TYR OH : rot 149:sc= 1.73 USER MOD Single : A 56 LYS NZ :NH3+ 152:sc= -0.0929 (180deg=-0.526) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot -45:sc= 0.153 USER MOD Single : A 62 HIS : no HE2:sc= 0.54 K(o=0.54,f=-1.8!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.522 F(o=-5.2!,f=-0.52) USER MOD Single : A 66 THR OG1 : rot -107:sc= 0.0662 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.574 K(o=-0.57,f=-9.2!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 72 ASN : amide:sc= -0.0834 X(o=-0.083,f=0) USER MOD Single : A 73 SER OG : rot 52:sc= 0.0824 USER MOD Single : A 83 ASN : amide:sc= -0.878 K(o=-0.88,f=-3.1!) USER MOD Single : A 85 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.24) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.216 K(o=-0.22,f=-2.9!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -115:sc=-0.000334 (180deg=-1.41) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HE2:sc= -0.132 X(o=-0.13,f=-0.62) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.674 -16.277 -6.817 1.00 0.00 N ATOM 2 CA GLY A 1 -3.148 -14.898 -6.700 1.00 0.00 C ATOM 3 C GLY A 1 -1.738 -14.806 -6.081 1.00 0.00 C ATOM 4 O GLY A 1 -1.555 -14.296 -4.976 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.623 -16.252 -7.241 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.040 -16.840 -7.420 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.728 -16.709 -5.873 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.127 -14.444 -7.691 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.837 -14.309 -6.094 1.00 0.00 H new ATOM 8 N SER A 2 -0.762 -15.133 -6.926 1.00 0.00 N ATOM 9 CA SER A 2 0.683 -15.220 -6.609 1.00 0.00 C ATOM 10 C SER A 2 1.394 -13.865 -6.408 1.00 0.00 C ATOM 11 O SER A 2 2.624 -13.806 -6.417 1.00 0.00 O ATOM 12 CB SER A 2 1.382 -15.943 -7.770 1.00 0.00 C ATOM 13 OG SER A 2 0.658 -17.112 -8.174 1.00 0.00 O ATOM 0 H SER A 2 -0.955 -15.358 -7.902 1.00 0.00 H new ATOM 0 HA SER A 2 0.750 -15.748 -5.658 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.480 -15.264 -8.617 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.391 -16.225 -7.469 1.00 0.00 H new ATOM 0 HG SER A 2 1.128 -17.548 -8.915 1.00 0.00 H new ATOM 16 N MET A 3 0.624 -12.848 -6.014 1.00 0.00 N ATOM 17 CA MET A 3 1.031 -11.419 -6.012 1.00 0.00 C ATOM 18 C MET A 3 1.430 -10.931 -7.423 1.00 0.00 C ATOM 19 O MET A 3 1.448 -11.705 -8.377 1.00 0.00 O ATOM 20 CB MET A 3 2.157 -11.170 -4.998 1.00 0.00 C ATOM 21 CG MET A 3 1.725 -11.441 -3.551 1.00 0.00 C ATOM 22 SD MET A 3 3.132 -11.703 -2.412 1.00 0.00 S ATOM 23 CE MET A 3 3.556 -13.387 -2.810 1.00 0.00 C ATOM 0 H MET A 3 -0.328 -12.987 -5.676 1.00 0.00 H new ATOM 0 HA MET A 3 0.164 -10.834 -5.705 1.00 0.00 H new ATOM 0 HB2 MET A 3 3.008 -11.806 -5.243 1.00 0.00 H new ATOM 0 HB3 MET A 3 2.495 -10.137 -5.084 1.00 0.00 H new ATOM 0 HG2 MET A 3 1.129 -10.601 -3.194 1.00 0.00 H new ATOM 0 HG3 MET A 3 1.081 -12.320 -3.530 1.00 0.00 H new ATOM 0 HE1 MET A 3 3.409 -14.016 -1.932 1.00 0.00 H new ATOM 0 HE2 MET A 3 2.919 -13.741 -3.621 1.00 0.00 H new ATOM 0 HE3 MET A 3 4.600 -13.436 -3.121 1.00 0.00 H new ATOM 25 N GLU A 4 1.475 -9.607 -7.583 1.00 0.00 N ATOM 26 CA GLU A 4 1.841 -8.908 -8.843 1.00 0.00 C ATOM 27 C GLU A 4 0.935 -9.298 -10.040 1.00 0.00 C ATOM 28 O GLU A 4 1.376 -9.548 -11.163 1.00 0.00 O ATOM 29 CB GLU A 4 3.349 -9.094 -9.095 1.00 0.00 C ATOM 30 CG GLU A 4 3.918 -8.196 -10.203 1.00 0.00 C ATOM 31 CD GLU A 4 5.440 -8.297 -10.379 1.00 0.00 C ATOM 32 OE1 GLU A 4 6.022 -9.353 -10.041 1.00 0.00 O ATOM 33 OE2 GLU A 4 6.003 -7.260 -10.795 1.00 0.00 O ATOM 0 H GLU A 4 1.253 -8.962 -6.825 1.00 0.00 H new ATOM 0 HA GLU A 4 1.652 -7.840 -8.732 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.888 -8.895 -8.169 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.537 -10.136 -9.355 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.437 -8.454 -11.146 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.657 -7.160 -9.985 1.00 0.00 H new ATOM 35 N GLN A 5 -0.371 -9.273 -9.776 1.00 0.00 N ATOM 36 CA GLN A 5 -1.409 -9.614 -10.768 1.00 0.00 C ATOM 37 C GLN A 5 -2.739 -8.901 -10.456 1.00 0.00 C ATOM 38 O GLN A 5 -3.641 -9.438 -9.819 1.00 0.00 O ATOM 39 CB GLN A 5 -1.578 -11.138 -10.824 1.00 0.00 C ATOM 40 CG GLN A 5 -2.097 -11.577 -12.197 1.00 0.00 C ATOM 41 CD GLN A 5 -2.495 -13.055 -12.263 1.00 0.00 C ATOM 42 OE1 GLN A 5 -2.271 -13.874 -11.383 1.00 0.00 O ATOM 43 NE2 GLN A 5 -3.145 -13.418 -13.346 1.00 0.00 N ATOM 0 H GLN A 5 -0.748 -9.015 -8.864 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.093 -9.263 -11.750 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.623 -11.622 -10.619 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.272 -11.460 -10.048 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.960 -10.966 -12.462 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.328 -11.384 -12.945 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.333 -12.736 -14.081 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.462 -14.382 -13.452 1.00 0.00 H new ATOM 47 N PHE A 6 -2.773 -7.639 -10.881 1.00 0.00 N ATOM 48 CA PHE A 6 -3.892 -6.680 -10.740 1.00 0.00 C ATOM 49 C PHE A 6 -4.215 -6.319 -9.281 1.00 0.00 C ATOM 50 O PHE A 6 -5.221 -6.715 -8.691 1.00 0.00 O ATOM 51 CB PHE A 6 -5.164 -7.130 -11.478 1.00 0.00 C ATOM 52 CG PHE A 6 -5.047 -7.040 -12.999 1.00 0.00 C ATOM 53 CD1 PHE A 6 -5.321 -5.837 -13.639 1.00 0.00 C ATOM 54 CD2 PHE A 6 -4.845 -8.195 -13.744 1.00 0.00 C ATOM 55 CE1 PHE A 6 -5.401 -5.790 -15.026 1.00 0.00 C ATOM 56 CE2 PHE A 6 -4.926 -8.147 -15.131 1.00 0.00 C ATOM 57 CZ PHE A 6 -5.203 -6.946 -15.771 1.00 0.00 C ATOM 0 H PHE A 6 -1.976 -7.223 -11.364 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.530 -5.772 -11.221 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -5.392 -8.159 -11.199 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -6.003 -6.517 -11.149 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -5.472 -4.939 -13.059 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -4.625 -9.128 -13.247 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -5.617 -4.856 -15.524 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -4.773 -9.045 -15.712 1.00 0.00 H new ATOM 0 HZ PHE A 6 -5.265 -6.911 -16.849 1.00 0.00 H new ATOM 64 N GLU A 7 -3.394 -5.416 -8.758 1.00 0.00 N ATOM 65 CA GLU A 7 -3.582 -4.909 -7.387 1.00 0.00 C ATOM 66 C GLU A 7 -4.125 -3.480 -7.387 1.00 0.00 C ATOM 67 O GLU A 7 -3.401 -2.523 -7.652 1.00 0.00 O ATOM 68 CB GLU A 7 -2.290 -5.022 -6.575 1.00 0.00 C ATOM 69 CG GLU A 7 -2.114 -6.388 -5.903 1.00 0.00 C ATOM 70 CD GLU A 7 -1.885 -7.526 -6.897 1.00 0.00 C ATOM 71 OE1 GLU A 7 -0.710 -7.699 -7.290 1.00 0.00 O ATOM 72 OE2 GLU A 7 -2.862 -8.217 -7.235 1.00 0.00 O ATOM 0 H GLU A 7 -2.595 -5.017 -9.251 1.00 0.00 H new ATOM 0 HA GLU A 7 -4.330 -5.536 -6.902 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -1.439 -4.835 -7.231 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.280 -4.245 -5.811 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.270 -6.341 -5.215 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.999 -6.608 -5.307 1.00 0.00 H new ATOM 74 N LEU A 8 -5.447 -3.417 -7.274 1.00 0.00 N ATOM 75 CA LEU A 8 -6.201 -2.152 -7.217 1.00 0.00 C ATOM 76 C LEU A 8 -6.561 -1.782 -5.773 1.00 0.00 C ATOM 77 O LEU A 8 -7.273 -2.499 -5.067 1.00 0.00 O ATOM 78 CB LEU A 8 -7.453 -2.199 -8.109 1.00 0.00 C ATOM 79 CG LEU A 8 -8.428 -3.333 -7.772 1.00 0.00 C ATOM 80 CD1 LEU A 8 -9.848 -2.780 -7.629 1.00 0.00 C ATOM 81 CD2 LEU A 8 -8.381 -4.418 -8.850 1.00 0.00 C ATOM 0 H LEU A 8 -6.039 -4.246 -7.218 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.551 -1.369 -7.608 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.979 -1.248 -8.027 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.140 -2.302 -9.148 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.130 -3.780 -6.824 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.533 -3.593 -7.390 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.871 -2.039 -6.830 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -10.153 -2.313 -8.566 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.079 -5.215 -8.595 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.658 -3.987 -9.812 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.372 -4.826 -8.912 1.00 0.00 H new ATOM 83 N PHE A 9 -5.854 -0.767 -5.296 1.00 0.00 N ATOM 84 CA PHE A 9 -6.021 -0.255 -3.927 1.00 0.00 C ATOM 85 C PHE A 9 -6.377 1.239 -3.937 1.00 0.00 C ATOM 86 O PHE A 9 -5.971 1.977 -4.833 1.00 0.00 O ATOM 87 CB PHE A 9 -4.722 -0.500 -3.153 1.00 0.00 C ATOM 88 CG PHE A 9 -4.279 -1.970 -3.132 1.00 0.00 C ATOM 89 CD1 PHE A 9 -5.073 -2.951 -2.547 1.00 0.00 C ATOM 90 CD2 PHE A 9 -3.022 -2.302 -3.621 1.00 0.00 C ATOM 91 CE1 PHE A 9 -4.608 -4.256 -2.439 1.00 0.00 C ATOM 92 CE2 PHE A 9 -2.552 -3.604 -3.501 1.00 0.00 C ATOM 93 CZ PHE A 9 -3.345 -4.584 -2.914 1.00 0.00 C ATOM 0 H PHE A 9 -5.148 -0.271 -5.839 1.00 0.00 H new ATOM 0 HA PHE A 9 -6.844 -0.779 -3.440 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.928 0.102 -3.595 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.851 -0.155 -2.127 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.055 -2.697 -2.175 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.410 -1.548 -4.094 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.229 -5.015 -1.986 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.567 -3.856 -3.865 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.980 -5.597 -2.828 1.00 0.00 H new ATOM 100 N SER A 10 -7.238 1.643 -3.005 1.00 0.00 N ATOM 101 CA SER A 10 -7.618 3.063 -2.849 1.00 0.00 C ATOM 102 C SER A 10 -7.912 3.434 -1.391 1.00 0.00 C ATOM 103 O SER A 10 -8.668 2.740 -0.702 1.00 0.00 O ATOM 104 CB SER A 10 -8.834 3.402 -3.721 1.00 0.00 C ATOM 105 OG SER A 10 -8.950 4.824 -3.786 1.00 0.00 O ATOM 0 H SER A 10 -7.691 1.014 -2.342 1.00 0.00 H new ATOM 0 HA SER A 10 -6.760 3.650 -3.176 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.714 2.984 -4.720 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.739 2.965 -3.299 1.00 0.00 H new ATOM 0 HG SER A 10 -9.721 5.064 -4.341 1.00 0.00 H new ATOM 108 N ILE A 11 -7.221 4.477 -0.926 1.00 0.00 N ATOM 109 CA ILE A 11 -7.355 4.994 0.456 1.00 0.00 C ATOM 110 C ILE A 11 -8.697 5.710 0.712 1.00 0.00 C ATOM 111 O ILE A 11 -9.367 6.171 -0.209 1.00 0.00 O ATOM 112 CB ILE A 11 -6.122 5.848 0.850 1.00 0.00 C ATOM 113 CG1 ILE A 11 -5.861 5.846 2.361 1.00 0.00 C ATOM 114 CG2 ILE A 11 -6.174 7.304 0.377 1.00 0.00 C ATOM 115 CD1 ILE A 11 -5.380 4.487 2.871 1.00 0.00 C ATOM 0 H ILE A 11 -6.548 4.995 -1.492 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.375 4.130 1.121 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.304 5.353 0.326 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.115 6.604 2.598 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.776 6.124 2.885 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.271 7.823 0.698 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.241 7.331 -0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.047 7.795 0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.210 4.541 3.946 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.136 3.731 2.661 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.450 4.219 2.370 1.00 0.00 H new ATOM 117 N ASP A 12 -9.006 5.883 1.994 1.00 0.00 N ATOM 118 CA ASP A 12 -10.193 6.630 2.457 1.00 0.00 C ATOM 119 C ASP A 12 -10.064 8.167 2.577 1.00 0.00 C ATOM 120 O ASP A 12 -10.999 8.811 3.042 1.00 0.00 O ATOM 121 CB ASP A 12 -10.677 6.009 3.779 1.00 0.00 C ATOM 122 CG ASP A 12 -9.737 6.217 4.967 1.00 0.00 C ATOM 123 OD1 ASP A 12 -8.647 5.596 4.960 1.00 0.00 O ATOM 124 OD2 ASP A 12 -10.110 7.038 5.823 1.00 0.00 O ATOM 0 H ASP A 12 -8.440 5.509 2.755 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.927 6.522 1.658 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.651 6.430 4.027 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.821 4.939 3.630 1.00 0.00 H new ATOM 126 N LYS A 13 -8.965 8.741 2.074 1.00 0.00 N ATOM 127 CA LYS A 13 -8.590 10.170 2.236 1.00 0.00 C ATOM 128 C LYS A 13 -8.617 10.670 3.697 1.00 0.00 C ATOM 129 O LYS A 13 -9.133 11.738 4.025 1.00 0.00 O ATOM 130 CB LYS A 13 -9.433 11.092 1.338 1.00 0.00 C ATOM 131 CG LYS A 13 -8.600 12.102 0.535 1.00 0.00 C ATOM 132 CD LYS A 13 -7.783 13.092 1.376 1.00 0.00 C ATOM 133 CE LYS A 13 -8.250 14.545 1.237 1.00 0.00 C ATOM 134 NZ LYS A 13 -9.451 14.837 2.031 1.00 0.00 N ATOM 0 H LYS A 13 -8.284 8.217 1.524 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.550 10.219 1.914 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.012 10.480 0.646 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.147 11.634 1.958 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.918 11.552 -0.113 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.270 12.667 -0.113 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.840 12.799 2.424 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.735 13.026 1.084 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.445 15.211 1.546 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.454 14.757 0.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.721 15.833 1.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.230 14.223 1.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.253 14.663 3.037 1.00 0.00 H new ATOM 139 N PHE A 14 -7.950 9.909 4.560 1.00 0.00 N ATOM 140 CA PHE A 14 -7.875 10.245 5.994 1.00 0.00 C ATOM 141 C PHE A 14 -6.648 11.082 6.400 1.00 0.00 C ATOM 142 O PHE A 14 -6.597 11.604 7.513 1.00 0.00 O ATOM 143 CB PHE A 14 -7.956 8.949 6.810 1.00 0.00 C ATOM 144 CG PHE A 14 -8.352 9.151 8.280 1.00 0.00 C ATOM 145 CD1 PHE A 14 -9.187 10.196 8.668 1.00 0.00 C ATOM 146 CD2 PHE A 14 -7.784 8.334 9.250 1.00 0.00 C ATOM 147 CE1 PHE A 14 -9.412 10.450 10.014 1.00 0.00 C ATOM 148 CE2 PHE A 14 -8.003 8.592 10.597 1.00 0.00 C ATOM 149 CZ PHE A 14 -8.813 9.652 10.981 1.00 0.00 C ATOM 0 H PHE A 14 -7.453 9.057 4.301 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.724 10.893 6.210 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.679 8.282 6.340 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -6.988 8.449 6.772 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.662 10.812 7.918 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.170 7.496 8.955 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -10.053 11.268 10.310 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.542 7.967 11.347 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.977 9.856 12.029 1.00 0.00 H new ATOM 156 N LYS A 15 -5.698 11.237 5.470 1.00 0.00 N ATOM 157 CA LYS A 15 -4.365 11.851 5.664 1.00 0.00 C ATOM 158 C LYS A 15 -3.472 11.030 6.606 1.00 0.00 C ATOM 159 O LYS A 15 -2.605 10.304 6.133 1.00 0.00 O ATOM 160 CB LYS A 15 -4.437 13.321 6.116 1.00 0.00 C ATOM 161 CG LYS A 15 -3.854 14.272 5.071 1.00 0.00 C ATOM 162 CD LYS A 15 -4.747 14.386 3.834 1.00 0.00 C ATOM 163 CE LYS A 15 -3.922 14.194 2.562 1.00 0.00 C ATOM 164 NZ LYS A 15 -4.754 14.407 1.371 1.00 0.00 N ATOM 0 H LYS A 15 -5.839 10.924 4.510 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.900 11.844 4.678 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.475 13.590 6.311 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.896 13.438 7.055 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.721 15.259 5.514 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.866 13.921 4.773 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.538 13.637 3.878 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.232 15.362 3.817 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.084 14.891 2.557 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.501 13.189 2.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.807 13.525 0.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.711 14.692 1.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.334 15.155 0.783 1.00 0.00 H new ATOM 169 N CYS A 16 -3.921 10.955 7.861 1.00 0.00 N ATOM 170 CA CYS A 16 -3.265 10.252 8.986 1.00 0.00 C ATOM 171 C CYS A 16 -1.884 10.845 9.330 1.00 0.00 C ATOM 172 O CYS A 16 -0.957 10.115 9.660 1.00 0.00 O ATOM 173 CB CYS A 16 -3.164 8.742 8.698 1.00 0.00 C ATOM 174 SG CYS A 16 -4.710 7.995 8.074 1.00 0.00 S ATOM 0 H CYS A 16 -4.794 11.402 8.143 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.894 10.398 9.864 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.372 8.575 7.968 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.868 8.228 9.612 1.00 0.00 H new ATOM 176 N ASN A 17 -1.803 12.179 9.359 1.00 0.00 N ATOM 177 CA ASN A 17 -0.583 12.967 9.670 1.00 0.00 C ATOM 178 C ASN A 17 0.631 12.638 8.772 1.00 0.00 C ATOM 179 O ASN A 17 0.773 13.247 7.713 1.00 0.00 O ATOM 180 CB ASN A 17 -0.276 13.024 11.184 1.00 0.00 C ATOM 181 CG ASN A 17 -0.231 11.671 11.905 1.00 0.00 C ATOM 182 OD1 ASN A 17 0.768 10.965 11.913 1.00 0.00 O ATOM 183 ND2 ASN A 17 -1.340 11.277 12.498 1.00 0.00 N ATOM 0 H ASN A 17 -2.609 12.771 9.161 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.820 13.995 9.395 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.684 13.521 11.323 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.030 13.647 11.666 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -1.372 10.374 12.971 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.166 11.875 12.484 1.00 0.00 H new ATOM 187 N SER A 18 1.496 11.716 9.197 1.00 0.00 N ATOM 188 CA SER A 18 2.528 11.110 8.322 1.00 0.00 C ATOM 189 C SER A 18 1.804 10.271 7.251 1.00 0.00 C ATOM 190 O SER A 18 0.690 9.816 7.501 1.00 0.00 O ATOM 191 CB SER A 18 3.461 10.209 9.135 1.00 0.00 C ATOM 192 OG SER A 18 4.068 10.912 10.223 1.00 0.00 O ATOM 0 H SER A 18 1.510 11.362 10.153 1.00 0.00 H new ATOM 0 HA SER A 18 3.130 11.893 7.861 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.899 9.359 9.521 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.238 9.809 8.483 1.00 0.00 H new ATOM 0 HG SER A 18 4.655 10.304 10.719 1.00 0.00 H new ATOM 195 N GLU A 19 2.490 9.935 6.152 1.00 0.00 N ATOM 196 CA GLU A 19 1.867 9.400 4.909 1.00 0.00 C ATOM 197 C GLU A 19 1.099 10.504 4.152 1.00 0.00 C ATOM 198 O GLU A 19 -0.064 10.793 4.417 1.00 0.00 O ATOM 199 CB GLU A 19 0.965 8.176 5.179 1.00 0.00 C ATOM 200 CG GLU A 19 0.149 7.665 3.988 1.00 0.00 C ATOM 201 CD GLU A 19 -1.119 6.885 4.357 1.00 0.00 C ATOM 202 OE1 GLU A 19 -1.182 6.311 5.469 1.00 0.00 O ATOM 203 OE2 GLU A 19 -2.005 6.829 3.476 1.00 0.00 O ATOM 0 H GLU A 19 3.504 10.023 6.088 1.00 0.00 H new ATOM 0 HA GLU A 19 2.681 9.054 4.272 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.592 7.361 5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.275 8.429 5.984 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.134 8.516 3.369 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.786 7.025 3.378 1.00 0.00 H new ATOM 205 N ALA A 20 1.778 11.032 3.134 1.00 0.00 N ATOM 206 CA ALA A 20 1.254 12.068 2.211 1.00 0.00 C ATOM 207 C ALA A 20 2.207 12.292 1.022 1.00 0.00 C ATOM 208 O ALA A 20 2.243 11.439 0.142 1.00 0.00 O ATOM 209 CB ALA A 20 0.900 13.380 2.938 1.00 0.00 C ATOM 0 H ALA A 20 2.733 10.751 2.913 1.00 0.00 H new ATOM 0 HA ALA A 20 0.316 11.691 1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.521 14.105 2.217 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.137 13.184 3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.791 13.780 3.421 1.00 0.00 H new ATOM 211 N LYS A 21 3.176 13.199 1.173 1.00 0.00 N ATOM 212 CA LYS A 21 4.131 13.630 0.125 1.00 0.00 C ATOM 213 C LYS A 21 4.871 12.457 -0.558 1.00 0.00 C ATOM 214 O LYS A 21 4.421 11.945 -1.583 1.00 0.00 O ATOM 215 CB LYS A 21 5.102 14.618 0.789 1.00 0.00 C ATOM 216 CG LYS A 21 5.418 15.841 -0.073 1.00 0.00 C ATOM 217 CD LYS A 21 4.236 16.817 -0.096 1.00 0.00 C ATOM 218 CE LYS A 21 4.590 18.137 -0.790 1.00 0.00 C ATOM 219 NZ LYS A 21 4.823 17.968 -2.231 1.00 0.00 N ATOM 0 H LYS A 21 3.330 13.678 2.060 1.00 0.00 H new ATOM 0 HA LYS A 21 3.586 14.105 -0.691 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.677 14.952 1.735 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.032 14.099 1.023 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.303 16.345 0.315 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.652 15.524 -1.089 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.394 16.353 -0.609 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.915 17.020 0.926 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.782 18.853 -0.637 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.482 18.559 -0.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.059 18.888 -2.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.611 17.306 -2.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.964 17.590 -2.680 1.00 0.00 H new ATOM 224 N TYR A 22 5.913 11.957 0.110 1.00 0.00 N ATOM 225 CA TYR A 22 6.682 10.753 -0.274 1.00 0.00 C ATOM 226 C TYR A 22 5.823 9.497 -0.517 1.00 0.00 C ATOM 227 O TYR A 22 6.101 8.716 -1.421 1.00 0.00 O ATOM 228 CB TYR A 22 7.752 10.477 0.796 1.00 0.00 C ATOM 229 CG TYR A 22 7.246 9.935 2.143 1.00 0.00 C ATOM 230 CD1 TYR A 22 6.026 10.316 2.703 1.00 0.00 C ATOM 231 CD2 TYR A 22 7.939 8.872 2.701 1.00 0.00 C ATOM 232 CE1 TYR A 22 5.488 9.611 3.765 1.00 0.00 C ATOM 233 CE2 TYR A 22 7.404 8.166 3.769 1.00 0.00 C ATOM 234 CZ TYR A 22 6.184 8.550 4.313 1.00 0.00 C ATOM 235 OH TYR A 22 5.631 7.923 5.379 1.00 0.00 O ATOM 0 H TYR A 22 6.263 12.389 0.965 1.00 0.00 H new ATOM 0 HA TYR A 22 7.143 10.971 -1.237 1.00 0.00 H new ATOM 0 HB2 TYR A 22 8.468 9.764 0.388 1.00 0.00 H new ATOM 0 HB3 TYR A 22 8.296 11.403 0.983 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.497 11.169 2.304 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.902 8.591 2.302 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.525 9.890 4.166 1.00 0.00 H new ATOM 0 HE2 TYR A 22 7.935 7.319 4.177 1.00 0.00 H new ATOM 0 HH TYR A 22 5.637 6.955 5.228 1.00 0.00 H new ATOM 242 N TYR A 23 4.686 9.422 0.176 1.00 0.00 N ATOM 243 CA TYR A 23 3.717 8.325 0.019 1.00 0.00 C ATOM 244 C TYR A 23 3.127 8.362 -1.396 1.00 0.00 C ATOM 245 O TYR A 23 3.569 7.596 -2.244 1.00 0.00 O ATOM 246 CB TYR A 23 2.641 8.391 1.107 1.00 0.00 C ATOM 247 CG TYR A 23 1.643 7.234 1.012 1.00 0.00 C ATOM 248 CD1 TYR A 23 2.003 5.980 1.479 1.00 0.00 C ATOM 249 CD2 TYR A 23 0.348 7.449 0.559 1.00 0.00 C ATOM 250 CE1 TYR A 23 1.078 4.944 1.487 1.00 0.00 C ATOM 251 CE2 TYR A 23 -0.588 6.426 0.620 1.00 0.00 C ATOM 252 CZ TYR A 23 -0.219 5.163 1.062 1.00 0.00 C ATOM 253 OH TYR A 23 -1.104 4.134 1.081 1.00 0.00 O ATOM 0 H TYR A 23 4.406 10.120 0.865 1.00 0.00 H new ATOM 0 HA TYR A 23 4.223 7.367 0.144 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.118 8.376 2.087 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.105 9.337 1.027 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.007 5.808 1.838 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.069 8.413 0.159 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.374 3.962 1.827 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -1.609 6.614 0.322 1.00 0.00 H new ATOM 0 HH TYR A 23 -1.856 4.338 0.487 1.00 0.00 H new ATOM 260 N LEU A 24 2.395 9.430 -1.714 1.00 0.00 N ATOM 261 CA LEU A 24 1.769 9.596 -3.038 1.00 0.00 C ATOM 262 C LEU A 24 2.812 9.561 -4.170 1.00 0.00 C ATOM 263 O LEU A 24 2.754 8.658 -5.001 1.00 0.00 O ATOM 264 CB LEU A 24 0.869 10.847 -3.060 1.00 0.00 C ATOM 265 CG LEU A 24 1.552 12.198 -3.310 1.00 0.00 C ATOM 266 CD1 LEU A 24 1.439 12.590 -4.788 1.00 0.00 C ATOM 267 CD2 LEU A 24 0.957 13.282 -2.412 1.00 0.00 C ATOM 0 H LEU A 24 2.217 10.202 -1.071 1.00 0.00 H new ATOM 0 HA LEU A 24 1.116 8.744 -3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.111 10.704 -3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.347 10.904 -2.105 1.00 0.00 H new ATOM 0 HG LEU A 24 2.609 12.100 -3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.929 13.551 -4.948 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.920 11.830 -5.404 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.388 12.668 -5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.457 14.231 -2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.108 13.383 -2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.097 13.006 -1.367 1.00 0.00 H new ATOM 269 N ASN A 25 3.926 10.265 -3.963 1.00 0.00 N ATOM 270 CA ASN A 25 5.016 10.345 -4.949 1.00 0.00 C ATOM 271 C ASN A 25 5.723 9.015 -5.278 1.00 0.00 C ATOM 272 O ASN A 25 6.392 8.934 -6.308 1.00 0.00 O ATOM 273 CB ASN A 25 6.028 11.407 -4.509 1.00 0.00 C ATOM 274 CG ASN A 25 6.224 12.458 -5.604 1.00 0.00 C ATOM 275 OD1 ASN A 25 6.020 13.647 -5.408 1.00 0.00 O ATOM 276 ND2 ASN A 25 6.600 12.025 -6.790 1.00 0.00 N ATOM 0 H ASN A 25 4.102 10.796 -3.110 1.00 0.00 H new ATOM 0 HA ASN A 25 4.538 10.627 -5.887 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.682 11.888 -3.594 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.982 10.933 -4.279 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.724 12.685 -7.558 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.767 11.030 -6.940 1.00 0.00 H new ATOM 280 N ILE A 26 5.699 8.069 -4.335 1.00 0.00 N ATOM 281 CA ILE A 26 6.280 6.720 -4.514 1.00 0.00 C ATOM 282 C ILE A 26 5.220 5.596 -4.293 1.00 0.00 C ATOM 283 O ILE A 26 5.550 4.458 -3.986 1.00 0.00 O ATOM 284 CB ILE A 26 7.573 6.642 -3.641 1.00 0.00 C ATOM 285 CG1 ILE A 26 8.622 7.690 -4.038 1.00 0.00 C ATOM 286 CG2 ILE A 26 8.327 5.309 -3.675 1.00 0.00 C ATOM 287 CD1 ILE A 26 8.566 8.967 -3.196 1.00 0.00 C ATOM 0 H ILE A 26 5.275 8.211 -3.418 1.00 0.00 H new ATOM 0 HA ILE A 26 6.586 6.542 -5.545 1.00 0.00 H new ATOM 0 HB ILE A 26 7.161 6.805 -2.645 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.615 7.249 -3.948 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.483 7.951 -5.087 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.206 5.372 -3.033 1.00 0.00 H new ATOM 0 HG22 ILE A 26 7.674 4.512 -3.319 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.639 5.093 -4.697 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.336 9.660 -3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.586 9.432 -3.305 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.736 8.720 -2.148 1.00 0.00 H new ATOM 289 N ILE A 27 3.919 5.883 -4.412 1.00 0.00 N ATOM 290 CA ILE A 27 2.858 4.838 -4.316 1.00 0.00 C ATOM 291 C ILE A 27 1.533 5.129 -5.053 1.00 0.00 C ATOM 292 O ILE A 27 0.791 4.198 -5.368 1.00 0.00 O ATOM 293 CB ILE A 27 2.650 4.406 -2.842 1.00 0.00 C ATOM 294 CG1 ILE A 27 2.483 2.883 -2.683 1.00 0.00 C ATOM 295 CG2 ILE A 27 1.595 5.212 -2.069 1.00 0.00 C ATOM 296 CD1 ILE A 27 1.171 2.199 -3.087 1.00 0.00 C ATOM 0 H ILE A 27 3.562 6.824 -4.575 1.00 0.00 H new ATOM 0 HA ILE A 27 3.248 3.993 -4.883 1.00 0.00 H new ATOM 0 HB ILE A 27 3.588 4.669 -2.353 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.282 2.410 -3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.659 2.648 -1.633 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.524 4.834 -1.049 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.884 6.263 -2.047 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.628 5.112 -2.562 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.247 1.128 -2.901 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.350 2.612 -2.501 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.982 2.371 -4.147 1.00 0.00 H new ATOM 298 N GLU A 28 1.189 6.407 -5.211 1.00 0.00 N ATOM 299 CA GLU A 28 -0.035 6.831 -5.920 1.00 0.00 C ATOM 300 C GLU A 28 0.129 6.532 -7.418 1.00 0.00 C ATOM 301 O GLU A 28 0.733 7.281 -8.185 1.00 0.00 O ATOM 302 CB GLU A 28 -0.298 8.317 -5.666 1.00 0.00 C ATOM 303 CG GLU A 28 -1.567 8.830 -6.353 1.00 0.00 C ATOM 304 CD GLU A 28 -1.396 10.285 -6.797 1.00 0.00 C ATOM 305 OE1 GLU A 28 -0.404 10.568 -7.504 1.00 0.00 O ATOM 306 OE2 GLU A 28 -2.257 11.098 -6.399 1.00 0.00 O ATOM 0 H GLU A 28 1.746 7.183 -4.854 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.898 6.278 -5.548 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.380 8.487 -4.592 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.557 8.896 -6.016 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.795 8.206 -7.217 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.413 8.751 -5.670 1.00 0.00 H new ATOM 308 N GLY A 29 -0.314 5.315 -7.730 1.00 0.00 N ATOM 309 CA GLY A 29 -0.202 4.699 -9.060 1.00 0.00 C ATOM 310 C GLY A 29 0.397 3.297 -8.917 1.00 0.00 C ATOM 311 O GLY A 29 0.266 2.660 -7.869 1.00 0.00 O ATOM 0 H GLY A 29 -0.774 4.710 -7.049 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.183 4.642 -9.531 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.427 5.312 -9.706 1.00 0.00 H new ATOM 313 N GLU A 30 1.117 2.889 -9.956 1.00 0.00 N ATOM 314 CA GLU A 30 1.607 1.505 -10.084 1.00 0.00 C ATOM 315 C GLU A 30 3.122 1.317 -10.192 1.00 0.00 C ATOM 316 O GLU A 30 3.808 2.016 -10.934 1.00 0.00 O ATOM 317 CB GLU A 30 0.883 0.765 -11.218 1.00 0.00 C ATOM 318 CG GLU A 30 0.941 1.457 -12.581 1.00 0.00 C ATOM 319 CD GLU A 30 -0.455 1.484 -13.203 1.00 0.00 C ATOM 320 OE1 GLU A 30 -0.814 0.463 -13.831 1.00 0.00 O ATOM 321 OE2 GLU A 30 -1.129 2.519 -13.022 1.00 0.00 O ATOM 0 H GLU A 30 1.380 3.496 -10.732 1.00 0.00 H new ATOM 0 HA GLU A 30 1.359 1.059 -9.121 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.314 -0.232 -11.315 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.162 0.635 -10.938 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.319 2.473 -12.468 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.633 0.930 -13.238 1.00 0.00 H new ATOM 323 N TRP A 31 3.572 0.291 -9.479 1.00 0.00 N ATOM 324 CA TRP A 31 4.967 -0.184 -9.501 1.00 0.00 C ATOM 325 C TRP A 31 5.215 -1.203 -10.617 1.00 0.00 C ATOM 326 O TRP A 31 4.625 -2.285 -10.652 1.00 0.00 O ATOM 327 CB TRP A 31 5.324 -0.815 -8.155 1.00 0.00 C ATOM 328 CG TRP A 31 5.370 0.208 -7.029 1.00 0.00 C ATOM 329 CD1 TRP A 31 4.335 0.794 -6.421 1.00 0.00 C ATOM 330 CD2 TRP A 31 6.535 0.725 -6.478 1.00 0.00 C ATOM 331 NE1 TRP A 31 4.799 1.667 -5.514 1.00 0.00 N ATOM 332 CE2 TRP A 31 6.122 1.638 -5.521 1.00 0.00 C ATOM 333 CE3 TRP A 31 7.867 0.396 -6.622 1.00 0.00 C ATOM 334 CZ2 TRP A 31 7.081 2.233 -4.704 1.00 0.00 C ATOM 335 CZ3 TRP A 31 8.822 0.998 -5.803 1.00 0.00 C ATOM 336 CH2 TRP A 31 8.420 1.955 -4.885 1.00 0.00 C ATOM 0 H TRP A 31 2.973 -0.250 -8.855 1.00 0.00 H new ATOM 0 HA TRP A 31 5.599 0.683 -9.692 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.592 -1.586 -7.913 1.00 0.00 H new ATOM 0 HB3 TRP A 31 6.293 -1.309 -8.234 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.293 0.597 -6.626 1.00 0.00 H new ATOM 0 HE1 TRP A 31 4.224 2.259 -4.915 1.00 0.00 H new ATOM 0 HE3 TRP A 31 8.169 -0.325 -7.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 6.774 2.915 -3.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 9.863 0.721 -5.883 1.00 0.00 H new ATOM 0 HH2 TRP A 31 9.161 2.487 -4.307 1.00 0.00 H new ATOM 344 N HIS A 32 6.051 -0.780 -11.559 1.00 0.00 N ATOM 345 CA HIS A 32 6.441 -1.573 -12.740 1.00 0.00 C ATOM 346 C HIS A 32 7.892 -1.308 -13.191 1.00 0.00 C ATOM 347 O HIS A 32 8.460 -0.286 -12.799 1.00 0.00 O ATOM 348 CB HIS A 32 5.439 -1.379 -13.898 1.00 0.00 C ATOM 349 CG HIS A 32 5.009 0.042 -14.295 1.00 0.00 C ATOM 350 ND1 HIS A 32 3.898 0.315 -14.977 1.00 0.00 N ATOM 351 CD2 HIS A 32 5.611 1.202 -14.028 1.00 0.00 C ATOM 352 CE1 HIS A 32 3.812 1.634 -15.126 1.00 0.00 C ATOM 353 NE2 HIS A 32 4.870 2.179 -14.538 1.00 0.00 N ATOM 0 H HIS A 32 6.490 0.140 -11.531 1.00 0.00 H new ATOM 0 HA HIS A 32 6.407 -2.619 -12.437 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.867 -1.850 -14.783 1.00 0.00 H new ATOM 0 HB3 HIS A 32 4.536 -1.935 -13.646 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.540 1.325 -13.491 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.022 2.167 -15.635 1.00 0.00 H new ATOM 0 HE2 HIS A 32 5.078 3.176 -14.487 1.00 0.00 H new ATOM 356 N PRO A 33 8.543 -2.277 -13.861 1.00 0.00 N ATOM 357 CA PRO A 33 9.840 -2.051 -14.528 1.00 0.00 C ATOM 358 C PRO A 33 9.646 -1.106 -15.733 1.00 0.00 C ATOM 359 O PRO A 33 9.252 0.035 -15.517 1.00 0.00 O ATOM 360 CB PRO A 33 10.363 -3.460 -14.840 1.00 0.00 C ATOM 361 CG PRO A 33 9.093 -4.294 -14.988 1.00 0.00 C ATOM 362 CD PRO A 33 8.167 -3.705 -13.925 1.00 0.00 C ATOM 0 HA PRO A 33 10.589 -1.534 -13.928 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.959 -3.473 -15.753 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.999 -3.837 -14.039 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.667 -4.206 -15.987 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.284 -5.353 -14.815 1.00 0.00 H new ATOM 0 HD2 PRO A 33 7.119 -3.828 -14.198 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.305 -4.196 -12.962 1.00 0.00 H new ATOM 363 N GLN A 34 9.923 -1.556 -16.959 1.00 0.00 N ATOM 364 CA GLN A 34 9.685 -0.766 -18.192 1.00 0.00 C ATOM 365 C GLN A 34 9.149 -1.559 -19.402 1.00 0.00 C ATOM 366 O GLN A 34 9.055 -1.044 -20.513 1.00 0.00 O ATOM 367 CB GLN A 34 10.971 -0.020 -18.570 1.00 0.00 C ATOM 368 CG GLN A 34 11.083 1.311 -17.819 1.00 0.00 C ATOM 369 CD GLN A 34 12.500 1.879 -17.872 1.00 0.00 C ATOM 370 OE1 GLN A 34 13.476 1.248 -17.491 1.00 0.00 O ATOM 371 NE2 GLN A 34 12.628 3.120 -18.286 1.00 0.00 N ATOM 0 H GLN A 34 10.320 -2.479 -17.136 1.00 0.00 H new ATOM 0 HA GLN A 34 8.880 -0.074 -17.945 1.00 0.00 H new ATOM 0 HB2 GLN A 34 11.836 -0.643 -18.342 1.00 0.00 H new ATOM 0 HB3 GLN A 34 10.985 0.164 -19.644 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.387 2.031 -18.251 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.789 1.167 -16.779 1.00 0.00 H new ATOM 0 HE21 GLN A 34 11.809 3.639 -18.602 1.00 0.00 H new ATOM 0 HE22 GLN A 34 13.546 3.564 -18.291 1.00 0.00 H new ATOM 375 N ASP A 35 8.667 -2.770 -19.126 1.00 0.00 N ATOM 376 CA ASP A 35 8.150 -3.742 -20.115 1.00 0.00 C ATOM 377 C ASP A 35 7.689 -5.001 -19.364 1.00 0.00 C ATOM 378 O ASP A 35 8.147 -5.240 -18.248 1.00 0.00 O ATOM 379 CB ASP A 35 9.236 -4.115 -21.137 1.00 0.00 C ATOM 380 CG ASP A 35 8.696 -4.087 -22.571 1.00 0.00 C ATOM 381 OD1 ASP A 35 7.544 -4.550 -22.751 1.00 0.00 O ATOM 382 OD2 ASP A 35 9.463 -3.665 -23.461 1.00 0.00 O ATOM 0 H ASP A 35 8.620 -3.125 -18.171 1.00 0.00 H new ATOM 0 HA ASP A 35 7.317 -3.295 -20.658 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.072 -3.422 -21.049 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.621 -5.109 -20.912 1.00 0.00 H new ATOM 384 N LEU A 36 6.701 -5.695 -19.936 1.00 0.00 N ATOM 385 CA LEU A 36 6.067 -6.898 -19.343 1.00 0.00 C ATOM 386 C LEU A 36 5.612 -6.737 -17.878 1.00 0.00 C ATOM 387 O LEU A 36 6.226 -7.245 -16.942 1.00 0.00 O ATOM 388 CB LEU A 36 6.963 -8.140 -19.503 1.00 0.00 C ATOM 389 CG LEU A 36 6.872 -8.807 -20.880 1.00 0.00 C ATOM 390 CD1 LEU A 36 7.992 -9.841 -21.009 1.00 0.00 C ATOM 391 CD2 LEU A 36 5.521 -9.510 -21.059 1.00 0.00 C ATOM 0 H LEU A 36 6.305 -5.440 -20.841 1.00 0.00 H new ATOM 0 HA LEU A 36 5.150 -7.038 -19.916 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.998 -7.854 -19.318 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.693 -8.870 -18.740 1.00 0.00 H new ATOM 0 HG LEU A 36 6.970 -8.038 -21.647 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.934 -10.320 -21.986 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.958 -9.346 -20.904 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.883 -10.594 -20.229 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.481 -9.976 -22.044 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.404 -10.275 -20.291 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.716 -8.780 -20.970 1.00 0.00 H new ATOM 393 N ASN A 37 4.502 -6.015 -17.726 1.00 0.00 N ATOM 394 CA ASN A 37 3.840 -5.779 -16.423 1.00 0.00 C ATOM 395 C ASN A 37 2.449 -5.150 -16.622 1.00 0.00 C ATOM 396 O ASN A 37 2.187 -3.998 -16.273 1.00 0.00 O ATOM 397 CB ASN A 37 4.720 -4.887 -15.529 1.00 0.00 C ATOM 398 CG ASN A 37 4.872 -5.465 -14.120 1.00 0.00 C ATOM 399 OD1 ASN A 37 4.547 -4.688 -13.111 1.00 0.00 O flip ATOM 400 ND2 ASN A 37 5.283 -6.592 -13.904 1.00 0.00 N flip ATOM 0 H ASN A 37 4.024 -5.568 -18.508 1.00 0.00 H new ATOM 0 HA ASN A 37 3.706 -6.740 -15.926 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.704 -4.776 -15.984 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.283 -3.891 -15.467 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.537 -7.200 -14.682 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.373 -6.927 -12.945 1.00 0.00 H new ATOM 404 N ASP A 38 1.512 -6.005 -17.026 1.00 0.00 N ATOM 405 CA ASP A 38 0.130 -5.576 -17.344 1.00 0.00 C ATOM 406 C ASP A 38 -0.872 -5.883 -16.212 1.00 0.00 C ATOM 407 O ASP A 38 -2.076 -6.008 -16.432 1.00 0.00 O ATOM 408 CB ASP A 38 -0.325 -6.152 -18.699 1.00 0.00 C ATOM 409 CG ASP A 38 -0.257 -7.680 -18.830 1.00 0.00 C ATOM 410 OD1 ASP A 38 -0.468 -8.371 -17.810 1.00 0.00 O ATOM 411 OD2 ASP A 38 0.145 -8.120 -19.929 1.00 0.00 O ATOM 0 H ASP A 38 1.675 -7.005 -17.145 1.00 0.00 H new ATOM 0 HA ASP A 38 0.145 -4.490 -17.431 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.352 -5.836 -18.881 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.288 -5.711 -19.485 1.00 0.00 H new ATOM 413 N SER A 39 -0.333 -5.827 -14.998 1.00 0.00 N ATOM 414 CA SER A 39 -1.009 -6.215 -13.737 1.00 0.00 C ATOM 415 C SER A 39 -0.242 -5.818 -12.442 1.00 0.00 C ATOM 416 O SER A 39 -0.246 -6.586 -11.478 1.00 0.00 O ATOM 417 CB SER A 39 -1.259 -7.734 -13.787 1.00 0.00 C ATOM 418 OG SER A 39 -0.020 -8.432 -13.957 1.00 0.00 O ATOM 0 H SER A 39 0.621 -5.500 -14.846 1.00 0.00 H new ATOM 0 HA SER A 39 -1.943 -5.657 -13.676 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.746 -8.061 -12.868 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.935 -7.972 -14.608 1.00 0.00 H new ATOM 0 HG SER A 39 -0.189 -9.397 -13.986 1.00 0.00 H new ATOM 421 N PRO A 40 0.313 -4.593 -12.333 1.00 0.00 N ATOM 422 CA PRO A 40 1.178 -4.183 -11.201 1.00 0.00 C ATOM 423 C PRO A 40 0.374 -3.972 -9.896 1.00 0.00 C ATOM 424 O PRO A 40 -0.740 -4.480 -9.747 1.00 0.00 O ATOM 425 CB PRO A 40 1.812 -2.866 -11.675 1.00 0.00 C ATOM 426 CG PRO A 40 1.497 -2.763 -13.165 1.00 0.00 C ATOM 427 CD PRO A 40 0.138 -3.448 -13.247 1.00 0.00 C ATOM 0 HA PRO A 40 1.915 -4.948 -10.957 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.402 -2.016 -11.129 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.888 -2.866 -11.502 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.453 -1.728 -13.503 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.246 -3.266 -13.777 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.670 -2.790 -12.926 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.096 -3.769 -14.262 1.00 0.00 H new ATOM 428 N LEU A 41 0.944 -3.207 -8.960 1.00 0.00 N ATOM 429 CA LEU A 41 0.202 -2.722 -7.778 1.00 0.00 C ATOM 430 C LEU A 41 -0.026 -1.211 -7.893 1.00 0.00 C ATOM 431 O LEU A 41 0.931 -0.443 -7.991 1.00 0.00 O ATOM 432 CB LEU A 41 0.844 -3.070 -6.422 1.00 0.00 C ATOM 433 CG LEU A 41 2.127 -2.310 -6.067 1.00 0.00 C ATOM 434 CD1 LEU A 41 2.132 -1.944 -4.582 1.00 0.00 C ATOM 435 CD2 LEU A 41 3.347 -3.158 -6.411 1.00 0.00 C ATOM 0 H LEU A 41 1.918 -2.906 -8.993 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.749 -3.255 -7.785 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.109 -2.887 -5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.064 -4.138 -6.411 1.00 0.00 H new ATOM 0 HG LEU A 41 2.165 -1.389 -6.649 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.049 -1.405 -4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.271 -1.313 -4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.080 -2.853 -3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.254 -2.611 -6.156 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.314 -4.089 -5.846 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.346 -3.381 -7.478 1.00 0.00 H new ATOM 437 N LYS A 42 -1.292 -0.870 -8.094 1.00 0.00 N ATOM 438 CA LYS A 42 -1.735 0.525 -8.217 1.00 0.00 C ATOM 439 C LYS A 42 -2.714 0.938 -7.115 1.00 0.00 C ATOM 440 O LYS A 42 -3.693 0.254 -6.810 1.00 0.00 O ATOM 441 CB LYS A 42 -2.284 0.847 -9.613 1.00 0.00 C ATOM 442 CG LYS A 42 -3.544 0.086 -10.038 1.00 0.00 C ATOM 443 CD LYS A 42 -4.064 0.552 -11.406 1.00 0.00 C ATOM 444 CE LYS A 42 -4.424 2.044 -11.482 1.00 0.00 C ATOM 445 NZ LYS A 42 -5.423 2.445 -10.478 1.00 0.00 N ATOM 0 H LYS A 42 -2.048 -1.550 -8.178 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.839 1.130 -8.080 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.497 1.915 -9.659 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.500 0.647 -10.344 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.327 -0.981 -10.077 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.322 0.226 -9.288 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.307 0.336 -12.160 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.946 -0.034 -11.663 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.520 2.638 -11.345 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.806 2.270 -12.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.626 3.460 -10.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.298 1.901 -10.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.052 2.258 -9.525 1.00 0.00 H new ATOM 450 N PHE A 43 -2.304 1.996 -6.434 1.00 0.00 N ATOM 451 CA PHE A 43 -3.088 2.604 -5.353 1.00 0.00 C ATOM 452 C PHE A 43 -3.405 4.085 -5.613 1.00 0.00 C ATOM 453 O PHE A 43 -2.529 4.885 -5.934 1.00 0.00 O ATOM 454 CB PHE A 43 -2.343 2.334 -4.041 1.00 0.00 C ATOM 455 CG PHE A 43 -2.728 3.262 -2.890 1.00 0.00 C ATOM 456 CD1 PHE A 43 -2.049 4.466 -2.796 1.00 0.00 C ATOM 457 CD2 PHE A 43 -3.726 2.939 -1.980 1.00 0.00 C ATOM 458 CE1 PHE A 43 -2.376 5.366 -1.797 1.00 0.00 C ATOM 459 CE2 PHE A 43 -4.024 3.822 -0.952 1.00 0.00 C ATOM 460 CZ PHE A 43 -3.353 5.036 -0.866 1.00 0.00 C ATOM 0 H PHE A 43 -1.415 2.465 -6.611 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.077 2.150 -5.292 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.529 1.304 -3.738 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.272 2.425 -4.221 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.266 4.702 -3.501 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.266 2.008 -2.072 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.874 6.321 -1.741 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.776 3.566 -0.220 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.592 5.727 -0.071 1.00 0.00 H new ATOM 467 N ILE A 44 -4.671 4.403 -5.373 1.00 0.00 N ATOM 468 CA ILE A 44 -5.250 5.754 -5.539 1.00 0.00 C ATOM 469 C ILE A 44 -5.594 6.322 -4.141 1.00 0.00 C ATOM 470 O ILE A 44 -5.472 5.655 -3.110 1.00 0.00 O ATOM 471 CB ILE A 44 -6.521 5.720 -6.426 1.00 0.00 C ATOM 472 CG1 ILE A 44 -6.515 4.609 -7.490 1.00 0.00 C ATOM 473 CG2 ILE A 44 -6.660 7.062 -7.163 1.00 0.00 C ATOM 474 CD1 ILE A 44 -7.923 4.063 -7.754 1.00 0.00 C ATOM 0 H ILE A 44 -5.352 3.717 -5.048 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.520 6.392 -6.037 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.352 5.524 -5.748 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.096 4.998 -8.418 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.866 3.797 -7.163 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.553 7.043 -7.788 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.744 7.870 -6.436 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.782 7.226 -7.788 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.874 3.281 -8.511 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -8.332 3.650 -6.832 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.566 4.870 -8.107 1.00 0.00 H new ATOM 476 N LEU A 45 -6.149 7.529 -4.141 1.00 0.00 N ATOM 477 CA LEU A 45 -6.505 8.275 -2.924 1.00 0.00 C ATOM 478 C LEU A 45 -7.926 8.838 -3.012 1.00 0.00 C ATOM 479 O LEU A 45 -8.284 9.464 -4.006 1.00 0.00 O ATOM 480 CB LEU A 45 -5.432 9.321 -2.567 1.00 0.00 C ATOM 481 CG LEU A 45 -4.934 10.230 -3.697 1.00 0.00 C ATOM 482 CD1 LEU A 45 -5.826 11.459 -3.890 1.00 0.00 C ATOM 483 CD2 LEU A 45 -3.494 10.650 -3.398 1.00 0.00 C ATOM 0 H LEU A 45 -6.371 8.032 -5.000 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.518 7.581 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.829 9.955 -1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.572 8.795 -2.153 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.973 9.669 -4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.432 12.071 -4.701 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.838 11.139 -4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.844 12.044 -2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.131 11.297 -4.196 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.461 11.189 -2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.863 9.764 -3.333 1.00 0.00 H new ATOM 485 N SER A 46 -8.744 8.345 -2.085 1.00 0.00 N ATOM 486 CA SER A 46 -10.191 8.632 -1.954 1.00 0.00 C ATOM 487 C SER A 46 -11.025 7.981 -3.069 1.00 0.00 C ATOM 488 O SER A 46 -10.515 7.232 -3.902 1.00 0.00 O ATOM 489 CB SER A 46 -10.546 10.125 -1.811 1.00 0.00 C ATOM 490 OG SER A 46 -10.707 10.810 -3.055 1.00 0.00 O ATOM 0 H SER A 46 -8.411 7.703 -1.366 1.00 0.00 H new ATOM 0 HA SER A 46 -10.460 8.169 -1.004 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.469 10.214 -1.238 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.764 10.620 -1.235 1.00 0.00 H new ATOM 0 HG SER A 46 -9.982 10.557 -3.664 1.00 0.00 H new ATOM 493 N THR A 47 -12.321 7.984 -2.795 1.00 0.00 N ATOM 494 CA THR A 47 -13.376 7.496 -3.706 1.00 0.00 C ATOM 495 C THR A 47 -14.580 8.451 -3.629 1.00 0.00 C ATOM 496 O THR A 47 -14.496 9.576 -4.115 1.00 0.00 O ATOM 497 CB THR A 47 -13.778 6.038 -3.406 1.00 0.00 C ATOM 498 OG1 THR A 47 -13.870 5.857 -1.988 1.00 0.00 O ATOM 499 CG2 THR A 47 -12.841 5.016 -4.054 1.00 0.00 C ATOM 0 H THR A 47 -12.691 8.333 -1.911 1.00 0.00 H new ATOM 0 HA THR A 47 -12.987 7.490 -4.724 1.00 0.00 H new ATOM 0 HB THR A 47 -14.754 5.855 -3.855 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.971 5.747 -1.613 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.175 4.008 -3.807 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.852 5.147 -5.136 1.00 0.00 H new ATOM 0 HG23 THR A 47 -11.828 5.164 -3.681 1.00 0.00 H new ATOM 502 N SER A 48 -15.549 8.093 -2.787 1.00 0.00 N ATOM 503 CA SER A 48 -16.823 8.828 -2.596 1.00 0.00 C ATOM 504 C SER A 48 -17.699 8.187 -1.506 1.00 0.00 C ATOM 505 O SER A 48 -18.641 7.442 -1.769 1.00 0.00 O ATOM 506 CB SER A 48 -17.596 8.930 -3.925 1.00 0.00 C ATOM 507 OG SER A 48 -17.645 7.651 -4.573 1.00 0.00 O ATOM 0 H SER A 48 -15.479 7.263 -2.198 1.00 0.00 H new ATOM 0 HA SER A 48 -16.571 9.834 -2.260 1.00 0.00 H new ATOM 0 HB2 SER A 48 -18.608 9.289 -3.738 1.00 0.00 H new ATOM 0 HB3 SER A 48 -17.115 9.658 -4.578 1.00 0.00 H new ATOM 0 HG SER A 48 -17.996 6.981 -3.949 1.00 0.00 H new ATOM 510 N ASP A 49 -17.287 8.409 -0.254 1.00 0.00 N ATOM 511 CA ASP A 49 -17.908 7.855 0.977 1.00 0.00 C ATOM 512 C ASP A 49 -17.985 6.307 1.068 1.00 0.00 C ATOM 513 O ASP A 49 -18.490 5.768 2.048 1.00 0.00 O ATOM 514 CB ASP A 49 -19.286 8.512 1.189 1.00 0.00 C ATOM 515 CG ASP A 49 -19.901 8.334 2.585 1.00 0.00 C ATOM 516 OD1 ASP A 49 -19.121 8.287 3.562 1.00 0.00 O ATOM 517 OD2 ASP A 49 -21.149 8.361 2.650 1.00 0.00 O ATOM 0 H ASP A 49 -16.482 9.001 -0.051 1.00 0.00 H new ATOM 0 HA ASP A 49 -17.230 8.110 1.792 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -19.194 9.579 0.986 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -19.979 8.106 0.452 1.00 0.00 H new ATOM 519 N ASP A 50 -17.515 5.621 0.027 1.00 0.00 N ATOM 520 CA ASP A 50 -17.464 4.148 -0.070 1.00 0.00 C ATOM 521 C ASP A 50 -16.024 3.676 -0.368 1.00 0.00 C ATOM 522 O ASP A 50 -15.718 3.081 -1.399 1.00 0.00 O ATOM 523 CB ASP A 50 -18.467 3.751 -1.164 1.00 0.00 C ATOM 524 CG ASP A 50 -18.751 2.248 -1.218 1.00 0.00 C ATOM 525 OD1 ASP A 50 -19.644 1.819 -0.455 1.00 0.00 O ATOM 526 OD2 ASP A 50 -18.100 1.565 -2.038 1.00 0.00 O ATOM 0 H ASP A 50 -17.145 6.083 -0.804 1.00 0.00 H new ATOM 0 HA ASP A 50 -17.738 3.664 0.868 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -19.403 4.284 -0.997 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -18.084 4.075 -2.132 1.00 0.00 H new ATOM 528 N SER A 51 -15.126 4.057 0.533 1.00 0.00 N ATOM 529 CA SER A 51 -13.681 3.765 0.446 1.00 0.00 C ATOM 530 C SER A 51 -13.303 2.327 0.827 1.00 0.00 C ATOM 531 O SER A 51 -13.777 1.776 1.816 1.00 0.00 O ATOM 532 CB SER A 51 -12.918 4.772 1.306 1.00 0.00 C ATOM 533 OG SER A 51 -13.578 4.955 2.564 1.00 0.00 O ATOM 0 H SER A 51 -15.377 4.589 1.366 1.00 0.00 H new ATOM 0 HA SER A 51 -13.400 3.862 -0.603 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.899 4.421 1.470 1.00 0.00 H new ATOM 0 HB3 SER A 51 -12.847 5.726 0.783 1.00 0.00 H new ATOM 0 HG SER A 51 -13.921 4.094 2.882 1.00 0.00 H new ATOM 536 N ASP A 52 -12.319 1.812 0.092 1.00 0.00 N ATOM 537 CA ASP A 52 -11.868 0.404 0.201 1.00 0.00 C ATOM 538 C ASP A 52 -10.878 0.166 1.358 1.00 0.00 C ATOM 539 O ASP A 52 -11.038 -0.773 2.138 1.00 0.00 O ATOM 540 CB ASP A 52 -11.246 -0.064 -1.123 1.00 0.00 C ATOM 541 CG ASP A 52 -12.130 0.203 -2.350 1.00 0.00 C ATOM 542 OD1 ASP A 52 -12.036 1.355 -2.835 1.00 0.00 O ATOM 543 OD2 ASP A 52 -12.727 -0.766 -2.858 1.00 0.00 O ATOM 0 H ASP A 52 -11.803 2.352 -0.602 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.759 -0.184 0.423 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.288 0.437 -1.261 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.041 -1.133 -1.060 1.00 0.00 H new ATOM 545 N TYR A 53 -9.821 0.981 1.406 1.00 0.00 N ATOM 546 CA TYR A 53 -8.816 0.939 2.486 1.00 0.00 C ATOM 547 C TYR A 53 -9.086 1.965 3.592 1.00 0.00 C ATOM 548 O TYR A 53 -9.197 3.168 3.344 1.00 0.00 O ATOM 549 CB TYR A 53 -7.397 1.160 1.945 1.00 0.00 C ATOM 550 CG TYR A 53 -6.629 -0.130 1.632 1.00 0.00 C ATOM 551 CD1 TYR A 53 -6.726 -1.243 2.457 1.00 0.00 C ATOM 552 CD2 TYR A 53 -5.784 -0.172 0.532 1.00 0.00 C ATOM 553 CE1 TYR A 53 -6.025 -2.403 2.163 1.00 0.00 C ATOM 554 CE2 TYR A 53 -5.064 -1.324 0.246 1.00 0.00 C ATOM 555 CZ TYR A 53 -5.222 -2.458 1.034 1.00 0.00 C ATOM 556 OH TYR A 53 -4.822 -3.667 0.575 1.00 0.00 O ATOM 0 H TYR A 53 -9.632 1.692 0.699 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.896 -0.059 2.916 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.457 1.762 1.038 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -6.829 1.738 2.674 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.353 -1.205 3.336 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.686 0.695 -0.104 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.104 -3.262 2.812 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.380 -1.339 -0.590 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.727 -3.632 -0.400 1.00 0.00 H new ATOM 563 N ILE A 54 -9.030 1.447 4.814 1.00 0.00 N ATOM 564 CA ILE A 54 -9.223 2.233 6.045 1.00 0.00 C ATOM 565 C ILE A 54 -7.865 2.367 6.750 1.00 0.00 C ATOM 566 O ILE A 54 -7.243 1.379 7.148 1.00 0.00 O ATOM 567 CB ILE A 54 -10.274 1.570 6.966 1.00 0.00 C ATOM 568 CG1 ILE A 54 -11.588 1.197 6.244 1.00 0.00 C ATOM 569 CG2 ILE A 54 -10.550 2.423 8.215 1.00 0.00 C ATOM 570 CD1 ILE A 54 -12.319 2.325 5.500 1.00 0.00 C ATOM 0 H ILE A 54 -8.848 0.459 4.989 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.603 3.224 5.797 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.829 0.627 7.284 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -11.368 0.406 5.528 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -12.273 0.778 6.981 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -11.293 1.926 8.838 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.627 2.549 8.781 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -10.926 3.400 7.912 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -13.224 1.930 5.038 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.586 3.113 6.205 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.667 2.734 4.728 1.00 0.00 H new ATOM 572 N CYS A 55 -7.346 3.587 6.649 1.00 0.00 N ATOM 573 CA CYS A 55 -6.101 4.024 7.307 1.00 0.00 C ATOM 574 C CYS A 55 -6.241 3.977 8.836 1.00 0.00 C ATOM 575 O CYS A 55 -6.933 4.800 9.433 1.00 0.00 O ATOM 576 CB CYS A 55 -5.747 5.440 6.837 1.00 0.00 C ATOM 577 SG CYS A 55 -4.201 6.086 7.574 1.00 0.00 S ATOM 0 H CYS A 55 -7.784 4.323 6.096 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.296 3.343 7.030 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.651 5.441 5.751 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -6.568 6.113 7.085 1.00 0.00 H new ATOM 579 N LYS A 56 -5.673 2.918 9.404 1.00 0.00 N ATOM 580 CA LYS A 56 -5.665 2.681 10.859 1.00 0.00 C ATOM 581 C LYS A 56 -4.705 3.665 11.550 1.00 0.00 C ATOM 582 O LYS A 56 -5.147 4.591 12.229 1.00 0.00 O ATOM 583 CB LYS A 56 -5.310 1.208 11.104 1.00 0.00 C ATOM 584 CG LYS A 56 -5.636 0.688 12.509 1.00 0.00 C ATOM 585 CD LYS A 56 -4.501 0.899 13.513 1.00 0.00 C ATOM 586 CE LYS A 56 -4.332 -0.338 14.399 1.00 0.00 C ATOM 587 NZ LYS A 56 -3.885 -1.495 13.605 1.00 0.00 N ATOM 0 H LYS A 56 -5.199 2.189 8.870 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.647 2.865 11.296 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.840 0.596 10.374 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.244 1.071 10.921 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.533 1.189 12.875 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.866 -0.376 12.450 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.571 1.103 12.982 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.713 1.771 14.132 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.607 -0.130 15.186 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.277 -0.571 14.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.339 -2.141 14.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.713 -1.995 13.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.287 -1.167 12.820 1.00 0.00 H new ATOM 592 N TYR A 57 -3.407 3.477 11.309 1.00 0.00 N ATOM 593 CA TYR A 57 -2.348 4.332 11.879 1.00 0.00 C ATOM 594 C TYR A 57 -1.006 4.112 11.165 1.00 0.00 C ATOM 595 O TYR A 57 -0.645 2.996 10.785 1.00 0.00 O ATOM 596 CB TYR A 57 -2.197 4.026 13.378 1.00 0.00 C ATOM 597 CG TYR A 57 -1.561 5.181 14.155 1.00 0.00 C ATOM 598 CD1 TYR A 57 -2.338 6.275 14.520 1.00 0.00 C ATOM 599 CD2 TYR A 57 -0.245 5.092 14.585 1.00 0.00 C ATOM 600 CE1 TYR A 57 -1.795 7.283 15.305 1.00 0.00 C ATOM 601 CE2 TYR A 57 0.302 6.095 15.374 1.00 0.00 C ATOM 602 CZ TYR A 57 -0.475 7.194 15.728 1.00 0.00 C ATOM 603 OH TYR A 57 0.057 8.199 16.468 1.00 0.00 O ATOM 0 H TYR A 57 -3.053 2.729 10.713 1.00 0.00 H new ATOM 0 HA TYR A 57 -2.635 5.374 11.739 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.177 3.806 13.800 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.588 3.131 13.502 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.365 6.341 14.192 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.356 4.240 14.305 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.397 8.134 15.586 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.325 6.023 15.711 1.00 0.00 H new ATOM 0 HH TYR A 57 0.989 7.987 16.686 1.00 0.00 H new ATOM 610 N ILE A 58 -0.403 5.241 10.816 1.00 0.00 N ATOM 611 CA ILE A 58 0.987 5.315 10.322 1.00 0.00 C ATOM 612 C ILE A 58 1.985 5.125 11.480 1.00 0.00 C ATOM 613 O ILE A 58 1.897 5.734 12.545 1.00 0.00 O ATOM 614 CB ILE A 58 1.243 6.637 9.554 1.00 0.00 C ATOM 615 CG1 ILE A 58 2.705 6.815 9.114 1.00 0.00 C ATOM 616 CG2 ILE A 58 0.831 7.865 10.368 1.00 0.00 C ATOM 617 CD1 ILE A 58 2.993 6.459 7.658 1.00 0.00 C ATOM 0 H ILE A 58 -0.863 6.150 10.865 1.00 0.00 H new ATOM 0 HA ILE A 58 1.141 4.501 9.614 1.00 0.00 H new ATOM 0 HB ILE A 58 0.621 6.558 8.662 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.995 7.852 9.282 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.338 6.200 9.754 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.029 8.768 9.790 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.233 7.808 10.600 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.403 7.895 11.295 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.050 6.618 7.447 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.742 5.413 7.483 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.393 7.091 7.003 1.00 0.00 H new ATOM 619 N ASN A 59 3.039 4.413 11.129 1.00 0.00 N ATOM 620 CA ASN A 59 4.219 4.180 11.967 1.00 0.00 C ATOM 621 C ASN A 59 5.421 4.969 11.439 1.00 0.00 C ATOM 622 O ASN A 59 6.061 4.620 10.442 1.00 0.00 O ATOM 623 CB ASN A 59 4.511 2.681 12.002 1.00 0.00 C ATOM 624 CG ASN A 59 4.058 2.108 13.340 1.00 0.00 C ATOM 625 OD1 ASN A 59 4.751 2.206 14.340 1.00 0.00 O ATOM 626 ND2 ASN A 59 2.847 1.604 13.390 1.00 0.00 N ATOM 0 H ASN A 59 3.108 3.960 10.218 1.00 0.00 H new ATOM 0 HA ASN A 59 4.025 4.529 12.981 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.993 2.179 11.185 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.577 2.504 11.860 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.464 1.283 14.279 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.289 1.533 12.539 1.00 0.00 H new ATOM 630 N THR A 60 5.697 6.048 12.166 1.00 0.00 N ATOM 631 CA THR A 60 6.857 6.941 11.924 1.00 0.00 C ATOM 632 C THR A 60 8.240 6.297 12.210 1.00 0.00 C ATOM 633 O THR A 60 9.279 6.943 12.113 1.00 0.00 O ATOM 634 CB THR A 60 6.619 8.266 12.681 1.00 0.00 C ATOM 635 OG1 THR A 60 7.468 9.289 12.158 1.00 0.00 O ATOM 636 CG2 THR A 60 6.745 8.157 14.207 1.00 0.00 C ATOM 0 H THR A 60 5.121 6.342 12.954 1.00 0.00 H new ATOM 0 HA THR A 60 6.914 7.144 10.855 1.00 0.00 H new ATOM 0 HB THR A 60 5.577 8.533 12.508 1.00 0.00 H new ATOM 0 HG1 THR A 60 8.375 8.936 12.047 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.563 9.133 14.658 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.013 7.441 14.582 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.749 7.820 14.466 1.00 0.00 H new ATOM 639 N GLU A 61 8.237 4.974 12.401 1.00 0.00 N ATOM 640 CA GLU A 61 9.430 4.128 12.633 1.00 0.00 C ATOM 641 C GLU A 61 10.329 3.987 11.385 1.00 0.00 C ATOM 642 O GLU A 61 11.543 4.165 11.437 1.00 0.00 O ATOM 643 CB GLU A 61 9.027 2.750 13.202 1.00 0.00 C ATOM 644 CG GLU A 61 8.024 1.954 12.347 1.00 0.00 C ATOM 645 CD GLU A 61 7.787 0.503 12.786 1.00 0.00 C ATOM 646 OE1 GLU A 61 8.781 -0.161 13.154 1.00 0.00 O ATOM 647 OE2 GLU A 61 6.617 0.079 12.667 1.00 0.00 O ATOM 0 H GLU A 61 7.372 4.434 12.400 1.00 0.00 H new ATOM 0 HA GLU A 61 10.036 4.643 13.378 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.928 2.150 13.329 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.599 2.896 14.194 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.069 2.479 12.356 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.375 1.950 11.315 1.00 0.00 H new ATOM 649 N HIS A 62 9.716 3.478 10.320 1.00 0.00 N ATOM 650 CA HIS A 62 10.301 3.357 8.973 1.00 0.00 C ATOM 651 C HIS A 62 9.342 3.950 7.926 1.00 0.00 C ATOM 652 O HIS A 62 8.934 3.273 6.987 1.00 0.00 O ATOM 653 CB HIS A 62 10.601 1.878 8.698 1.00 0.00 C ATOM 654 CG HIS A 62 12.000 1.413 9.096 1.00 0.00 C ATOM 655 ND1 HIS A 62 12.853 2.015 9.922 1.00 0.00 N ATOM 656 CD2 HIS A 62 12.573 0.298 8.654 1.00 0.00 C ATOM 657 CE1 HIS A 62 13.955 1.274 9.980 1.00 0.00 C ATOM 658 NE2 HIS A 62 13.782 0.212 9.196 1.00 0.00 N ATOM 0 H HIS A 62 8.761 3.123 10.365 1.00 0.00 H new ATOM 0 HA HIS A 62 11.233 3.918 8.911 1.00 0.00 H new ATOM 0 HB2 HIS A 62 9.869 1.270 9.230 1.00 0.00 H new ATOM 0 HB3 HIS A 62 10.461 1.687 7.634 1.00 0.00 H new ATOM 0 HD1 HIS A 62 12.690 2.889 10.421 1.00 0.00 H new ATOM 0 HD2 HIS A 62 12.132 -0.414 7.972 1.00 0.00 H new ATOM 0 HE1 HIS A 62 14.837 1.495 10.562 1.00 0.00 H new ATOM 661 N LYS A 63 8.757 5.090 8.310 1.00 0.00 N ATOM 662 CA LYS A 63 7.881 5.934 7.464 1.00 0.00 C ATOM 663 C LYS A 63 6.781 5.146 6.708 1.00 0.00 C ATOM 664 O LYS A 63 6.422 5.453 5.570 1.00 0.00 O ATOM 665 CB LYS A 63 8.790 6.719 6.510 1.00 0.00 C ATOM 666 CG LYS A 63 9.796 7.646 7.194 1.00 0.00 C ATOM 667 CD LYS A 63 11.148 7.543 6.483 1.00 0.00 C ATOM 668 CE LYS A 63 12.152 8.549 7.044 1.00 0.00 C ATOM 669 NZ LYS A 63 13.501 8.304 6.512 1.00 0.00 N ATOM 0 H LYS A 63 8.879 5.470 9.249 1.00 0.00 H new ATOM 0 HA LYS A 63 7.316 6.609 8.106 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.336 6.011 5.887 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.165 7.314 5.844 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.436 8.674 7.167 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.903 7.373 8.244 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.543 6.533 6.593 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.014 7.718 5.416 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.837 9.561 6.792 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.169 8.482 8.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.163 9.001 6.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.809 7.346 6.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.487 8.392 5.476 1.00 0.00 H new ATOM 674 N GLN A 64 6.148 4.231 7.438 1.00 0.00 N ATOM 675 CA GLN A 64 5.247 3.197 6.885 1.00 0.00 C ATOM 676 C GLN A 64 3.888 3.166 7.586 1.00 0.00 C ATOM 677 O GLN A 64 3.795 3.446 8.776 1.00 0.00 O ATOM 678 CB GLN A 64 5.907 1.819 6.974 1.00 0.00 C ATOM 679 CG GLN A 64 6.388 1.449 8.384 1.00 0.00 C ATOM 680 CD GLN A 64 7.419 0.317 8.411 1.00 0.00 C ATOM 681 OE1 GLN A 64 8.242 0.201 7.387 1.00 0.00 O flip ATOM 682 NE2 GLN A 64 7.642 -0.298 9.441 1.00 0.00 N flip ATOM 0 H GLN A 64 6.242 4.178 8.452 1.00 0.00 H new ATOM 0 HA GLN A 64 5.069 3.456 5.841 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.198 1.065 6.633 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.756 1.789 6.292 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.821 2.333 8.853 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.527 1.158 8.986 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.007 -0.210 10.235 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.463 -0.900 9.508 1.00 0.00 H new ATOM 686 N LEU A 65 2.881 2.700 6.867 1.00 0.00 N ATOM 687 CA LEU A 65 1.484 2.750 7.334 1.00 0.00 C ATOM 688 C LEU A 65 0.797 1.384 7.384 1.00 0.00 C ATOM 689 O LEU A 65 1.086 0.501 6.577 1.00 0.00 O ATOM 690 CB LEU A 65 0.645 3.785 6.555 1.00 0.00 C ATOM 691 CG LEU A 65 0.790 3.928 5.026 1.00 0.00 C ATOM 692 CD1 LEU A 65 2.136 4.532 4.614 1.00 0.00 C ATOM 693 CD2 LEU A 65 0.511 2.625 4.280 1.00 0.00 C ATOM 0 H LEU A 65 2.996 2.276 5.946 1.00 0.00 H new ATOM 0 HA LEU A 65 1.543 3.086 8.369 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.403 3.566 6.758 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.857 4.762 6.990 1.00 0.00 H new ATOM 0 HG LEU A 65 0.017 4.636 4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.183 4.609 3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.239 5.524 5.053 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.945 3.893 4.967 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.628 2.787 3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.213 1.859 4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.508 2.298 4.488 1.00 0.00 H new ATOM 695 N THR A 66 -0.089 1.267 8.367 1.00 0.00 N ATOM 696 CA THR A 66 -0.846 0.031 8.636 1.00 0.00 C ATOM 697 C THR A 66 -2.344 0.327 8.444 1.00 0.00 C ATOM 698 O THR A 66 -2.912 1.188 9.117 1.00 0.00 O ATOM 699 CB THR A 66 -0.537 -0.468 10.061 1.00 0.00 C ATOM 700 OG1 THR A 66 0.874 -0.395 10.312 1.00 0.00 O ATOM 701 CG2 THR A 66 -0.981 -1.920 10.247 1.00 0.00 C ATOM 0 H THR A 66 -0.310 2.028 9.009 1.00 0.00 H new ATOM 0 HA THR A 66 -0.556 -0.760 7.945 1.00 0.00 H new ATOM 0 HB THR A 66 -1.083 0.169 10.757 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.255 -1.298 10.304 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.750 -2.244 11.262 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.055 -1.997 10.077 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.455 -2.555 9.535 1.00 0.00 H new ATOM 704 N LEU A 67 -2.873 -0.237 7.361 1.00 0.00 N ATOM 705 CA LEU A 67 -4.260 -0.004 6.884 1.00 0.00 C ATOM 706 C LEU A 67 -4.980 -1.346 6.687 1.00 0.00 C ATOM 707 O LEU A 67 -4.367 -2.290 6.201 1.00 0.00 O ATOM 708 CB LEU A 67 -4.272 0.653 5.495 1.00 0.00 C ATOM 709 CG LEU A 67 -3.068 1.523 5.114 1.00 0.00 C ATOM 710 CD1 LEU A 67 -3.086 1.745 3.602 1.00 0.00 C ATOM 711 CD2 LEU A 67 -3.069 2.865 5.844 1.00 0.00 C ATOM 0 H LEU A 67 -2.351 -0.883 6.770 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.740 0.629 7.630 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.366 -0.137 4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.169 1.268 5.422 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.158 1.003 5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.235 2.363 3.315 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.025 0.783 3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.011 2.247 3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.197 3.445 5.541 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.976 3.415 5.593 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.035 2.694 6.920 1.00 0.00 H new ATOM 713 N TYR A 68 -6.292 -1.377 6.888 1.00 0.00 N ATOM 714 CA TYR A 68 -7.096 -2.584 6.596 1.00 0.00 C ATOM 715 C TYR A 68 -8.220 -2.324 5.588 1.00 0.00 C ATOM 716 O TYR A 68 -8.809 -1.244 5.548 1.00 0.00 O ATOM 717 CB TYR A 68 -7.634 -3.253 7.868 1.00 0.00 C ATOM 718 CG TYR A 68 -8.416 -2.302 8.772 1.00 0.00 C ATOM 719 CD1 TYR A 68 -7.719 -1.444 9.609 1.00 0.00 C ATOM 720 CD2 TYR A 68 -9.805 -2.266 8.730 1.00 0.00 C ATOM 721 CE1 TYR A 68 -8.413 -0.526 10.380 1.00 0.00 C ATOM 722 CE2 TYR A 68 -10.500 -1.359 9.519 1.00 0.00 C ATOM 723 CZ TYR A 68 -9.797 -0.487 10.339 1.00 0.00 C ATOM 724 OH TYR A 68 -10.440 0.422 11.113 1.00 0.00 O ATOM 0 H TYR A 68 -6.831 -0.590 7.250 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.406 -3.285 6.126 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.278 -4.086 7.586 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.799 -3.672 8.430 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.641 -1.491 9.660 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.344 -2.943 8.084 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.873 0.161 11.015 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.579 -1.332 9.495 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.408 0.337 10.983 1.00 0.00 H new ATOM 731 N ASN A 69 -8.358 -3.271 4.671 1.00 0.00 N ATOM 732 CA ASN A 69 -9.377 -3.217 3.607 1.00 0.00 C ATOM 733 C ASN A 69 -10.719 -3.768 4.105 1.00 0.00 C ATOM 734 O ASN A 69 -10.815 -4.928 4.516 1.00 0.00 O ATOM 735 CB ASN A 69 -8.866 -4.006 2.398 1.00 0.00 C ATOM 736 CG ASN A 69 -9.668 -3.756 1.125 1.00 0.00 C ATOM 737 OD1 ASN A 69 -10.818 -4.141 1.009 1.00 0.00 O ATOM 738 ND2 ASN A 69 -9.036 -3.161 0.138 1.00 0.00 N ATOM 0 H ASN A 69 -7.770 -4.104 4.635 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.548 -2.181 3.315 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.823 -3.745 2.218 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.892 -5.070 2.631 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -9.509 -3.011 -0.753 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -8.073 -2.849 0.264 1.00 0.00 H new ATOM 742 N LYS A 70 -11.744 -2.953 3.877 1.00 0.00 N ATOM 743 CA LYS A 70 -13.125 -3.224 4.326 1.00 0.00 C ATOM 744 C LYS A 70 -14.036 -3.745 3.186 1.00 0.00 C ATOM 745 O LYS A 70 -15.261 -3.747 3.286 1.00 0.00 O ATOM 746 CB LYS A 70 -13.635 -1.917 4.952 1.00 0.00 C ATOM 747 CG LYS A 70 -14.845 -2.114 5.876 1.00 0.00 C ATOM 748 CD LYS A 70 -15.379 -0.809 6.481 1.00 0.00 C ATOM 749 CE LYS A 70 -15.954 0.152 5.434 1.00 0.00 C ATOM 750 NZ LYS A 70 -16.634 1.291 6.068 1.00 0.00 N ATOM 0 H LYS A 70 -11.649 -2.073 3.370 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.142 -4.032 5.058 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.827 -1.455 5.518 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.904 -1.223 4.156 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.644 -2.598 5.315 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -14.568 -2.792 6.684 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -16.153 -1.045 7.212 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.574 -0.310 7.019 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.151 0.516 4.793 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -16.656 -0.382 4.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.012 1.923 5.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -17.415 0.943 6.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.957 1.814 6.659 1.00 0.00 H new ATOM 755 N ASN A 71 -13.401 -4.294 2.150 1.00 0.00 N ATOM 756 CA ASN A 71 -14.068 -4.989 1.028 1.00 0.00 C ATOM 757 C ASN A 71 -13.852 -6.512 0.986 1.00 0.00 C ATOM 758 O ASN A 71 -14.578 -7.207 0.279 1.00 0.00 O ATOM 759 CB ASN A 71 -13.597 -4.405 -0.306 1.00 0.00 C ATOM 760 CG ASN A 71 -14.602 -3.413 -0.881 1.00 0.00 C ATOM 761 OD1 ASN A 71 -14.501 -2.205 -0.724 1.00 0.00 O ATOM 762 ND2 ASN A 71 -15.552 -3.940 -1.625 1.00 0.00 N ATOM 0 H ASN A 71 -12.385 -4.272 2.057 1.00 0.00 H new ATOM 0 HA ASN A 71 -15.133 -4.825 1.194 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -12.637 -3.908 -0.166 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -13.437 -5.213 -1.019 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -16.230 -3.336 -2.090 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -15.610 -4.952 -1.737 1.00 0.00 H new ATOM 766 N ASN A 72 -12.702 -6.957 1.491 1.00 0.00 N ATOM 767 CA ASN A 72 -12.384 -8.396 1.595 1.00 0.00 C ATOM 768 C ASN A 72 -12.963 -9.039 2.871 1.00 0.00 C ATOM 769 O ASN A 72 -14.130 -9.417 2.894 1.00 0.00 O ATOM 770 CB ASN A 72 -10.869 -8.607 1.452 1.00 0.00 C ATOM 771 CG ASN A 72 -10.419 -9.165 0.099 1.00 0.00 C ATOM 772 OD1 ASN A 72 -9.535 -10.006 0.021 1.00 0.00 O ATOM 773 ND2 ASN A 72 -11.015 -8.728 -0.988 1.00 0.00 N ATOM 0 H ASN A 72 -11.965 -6.343 1.839 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.874 -8.916 0.772 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.367 -7.654 1.620 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.536 -9.286 2.237 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.740 -9.091 -1.901 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -11.752 -8.026 -0.918 1.00 0.00 H new ATOM 777 N SER A 73 -12.150 -9.090 3.927 1.00 0.00 N ATOM 778 CA SER A 73 -12.487 -9.697 5.233 1.00 0.00 C ATOM 779 C SER A 73 -11.403 -9.353 6.268 1.00 0.00 C ATOM 780 O SER A 73 -10.501 -10.135 6.554 1.00 0.00 O ATOM 781 CB SER A 73 -12.647 -11.224 5.088 1.00 0.00 C ATOM 782 OG SER A 73 -11.539 -11.793 4.375 1.00 0.00 O ATOM 0 H SER A 73 -11.208 -8.700 3.905 1.00 0.00 H new ATOM 0 HA SER A 73 -13.436 -9.289 5.581 1.00 0.00 H new ATOM 0 HB2 SER A 73 -12.722 -11.681 6.075 1.00 0.00 H new ATOM 0 HB3 SER A 73 -13.575 -11.447 4.562 1.00 0.00 H new ATOM 0 HG SER A 73 -10.700 -11.506 4.792 1.00 0.00 H new ATOM 785 N SER A 74 -11.407 -8.084 6.680 1.00 0.00 N ATOM 786 CA SER A 74 -10.440 -7.522 7.657 1.00 0.00 C ATOM 787 C SER A 74 -8.952 -7.772 7.329 1.00 0.00 C ATOM 788 O SER A 74 -8.153 -8.180 8.173 1.00 0.00 O ATOM 789 CB SER A 74 -10.779 -8.022 9.066 1.00 0.00 C ATOM 790 OG SER A 74 -11.561 -7.054 9.764 1.00 0.00 O ATOM 0 H SER A 74 -12.086 -7.399 6.347 1.00 0.00 H new ATOM 0 HA SER A 74 -10.554 -6.440 7.596 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.326 -8.963 9.003 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.861 -8.223 9.618 1.00 0.00 H new ATOM 0 HG SER A 74 -11.771 -7.388 10.661 1.00 0.00 H new ATOM 793 N ILE A 75 -8.547 -7.283 6.163 1.00 0.00 N ATOM 794 CA ILE A 75 -7.187 -7.530 5.633 1.00 0.00 C ATOM 795 C ILE A 75 -6.276 -6.301 5.805 1.00 0.00 C ATOM 796 O ILE A 75 -6.413 -5.281 5.128 1.00 0.00 O ATOM 797 CB ILE A 75 -7.234 -8.133 4.210 1.00 0.00 C ATOM 798 CG1 ILE A 75 -5.825 -8.465 3.689 1.00 0.00 C ATOM 799 CG2 ILE A 75 -8.024 -7.258 3.231 1.00 0.00 C ATOM 800 CD1 ILE A 75 -5.823 -9.407 2.478 1.00 0.00 C ATOM 0 H ILE A 75 -9.133 -6.710 5.556 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.708 -8.301 6.237 1.00 0.00 H new ATOM 0 HB ILE A 75 -7.778 -9.075 4.282 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.319 -7.538 3.418 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.247 -8.920 4.494 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.027 -7.725 2.246 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.049 -7.151 3.585 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.558 -6.275 3.164 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.796 -9.596 2.166 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.299 -10.349 2.749 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -6.372 -8.946 1.657 1.00 0.00 H new ATOM 802 N VAL A 76 -5.387 -6.450 6.779 1.00 0.00 N ATOM 803 CA VAL A 76 -4.508 -5.372 7.284 1.00 0.00 C ATOM 804 C VAL A 76 -3.148 -5.467 6.575 1.00 0.00 C ATOM 805 O VAL A 76 -2.494 -6.502 6.583 1.00 0.00 O ATOM 806 CB VAL A 76 -4.295 -5.462 8.812 1.00 0.00 C ATOM 807 CG1 VAL A 76 -3.760 -4.133 9.348 1.00 0.00 C ATOM 808 CG2 VAL A 76 -5.540 -5.863 9.614 1.00 0.00 C ATOM 0 H VAL A 76 -5.244 -7.339 7.259 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.991 -4.417 7.075 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.572 -6.265 8.952 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.614 -4.208 10.426 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.809 -3.903 8.868 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.476 -3.339 9.133 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.293 -5.900 10.675 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.330 -5.130 9.450 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.883 -6.845 9.287 1.00 0.00 H new ATOM 810 N ILE A 77 -2.757 -4.378 5.936 1.00 0.00 N ATOM 811 CA ILE A 77 -1.497 -4.265 5.176 1.00 0.00 C ATOM 812 C ILE A 77 -0.608 -3.141 5.737 1.00 0.00 C ATOM 813 O ILE A 77 -1.091 -2.043 6.018 1.00 0.00 O ATOM 814 CB ILE A 77 -1.785 -4.077 3.670 1.00 0.00 C ATOM 815 CG1 ILE A 77 -2.704 -2.884 3.378 1.00 0.00 C ATOM 816 CG2 ILE A 77 -2.388 -5.351 3.068 1.00 0.00 C ATOM 817 CD1 ILE A 77 -2.024 -1.840 2.491 1.00 0.00 C ATOM 0 H ILE A 77 -3.310 -3.521 5.923 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.942 -5.196 5.291 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.823 -3.868 3.202 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.613 -3.237 2.891 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.006 -2.420 4.317 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.583 -5.195 2.007 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.689 -6.178 3.191 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.322 -5.587 3.577 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.711 -1.013 2.310 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.130 -1.466 2.989 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.746 -2.296 1.541 1.00 0.00 H new ATOM 819 N GLU A 78 0.658 -3.474 5.974 1.00 0.00 N ATOM 820 CA GLU A 78 1.665 -2.498 6.446 1.00 0.00 C ATOM 821 C GLU A 78 2.759 -2.337 5.390 1.00 0.00 C ATOM 822 O GLU A 78 3.511 -3.267 5.092 1.00 0.00 O ATOM 823 CB GLU A 78 2.279 -2.896 7.791 1.00 0.00 C ATOM 824 CG GLU A 78 3.210 -1.811 8.343 1.00 0.00 C ATOM 825 CD GLU A 78 3.915 -2.301 9.606 1.00 0.00 C ATOM 826 OE1 GLU A 78 3.285 -2.187 10.682 1.00 0.00 O ATOM 827 OE2 GLU A 78 5.023 -2.855 9.445 1.00 0.00 O ATOM 0 H GLU A 78 1.024 -4.418 5.849 1.00 0.00 H new ATOM 0 HA GLU A 78 1.156 -1.547 6.599 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.483 -3.090 8.510 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.836 -3.826 7.674 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.949 -1.540 7.589 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.637 -0.911 8.566 1.00 0.00 H new ATOM 829 N ILE A 79 2.717 -1.175 4.749 1.00 0.00 N ATOM 830 CA ILE A 79 3.571 -0.925 3.572 1.00 0.00 C ATOM 831 C ILE A 79 4.386 0.376 3.684 1.00 0.00 C ATOM 832 O ILE A 79 3.901 1.373 4.228 1.00 0.00 O ATOM 833 CB ILE A 79 2.862 -1.239 2.212 1.00 0.00 C ATOM 834 CG1 ILE A 79 2.613 -0.084 1.227 1.00 0.00 C ATOM 835 CG2 ILE A 79 1.629 -2.147 2.355 1.00 0.00 C ATOM 836 CD1 ILE A 79 1.327 0.748 1.361 1.00 0.00 C ATOM 0 H ILE A 79 2.114 -0.396 5.011 1.00 0.00 H new ATOM 0 HA ILE A 79 4.363 -1.674 3.569 1.00 0.00 H new ATOM 0 HB ILE A 79 3.654 -1.799 1.714 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.457 0.601 1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.631 -0.501 0.220 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.190 -2.321 1.373 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.927 -3.099 2.793 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.895 -1.665 3.000 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.310 1.518 0.590 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.460 0.098 1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.298 1.218 2.344 1.00 0.00 H new ATOM 838 N PHE A 80 5.672 0.261 3.336 1.00 0.00 N ATOM 839 CA PHE A 80 6.642 1.378 3.378 1.00 0.00 C ATOM 840 C PHE A 80 6.990 1.856 1.973 1.00 0.00 C ATOM 841 O PHE A 80 7.519 1.103 1.156 1.00 0.00 O ATOM 842 CB PHE A 80 7.949 1.047 4.130 1.00 0.00 C ATOM 843 CG PHE A 80 8.946 2.220 4.278 1.00 0.00 C ATOM 844 CD1 PHE A 80 8.561 3.551 4.122 1.00 0.00 C ATOM 845 CD2 PHE A 80 10.295 1.949 4.496 1.00 0.00 C ATOM 846 CE1 PHE A 80 9.497 4.575 4.099 1.00 0.00 C ATOM 847 CE2 PHE A 80 11.227 2.983 4.547 1.00 0.00 C ATOM 848 CZ PHE A 80 10.832 4.298 4.337 1.00 0.00 C ATOM 0 H PHE A 80 6.080 -0.616 3.013 1.00 0.00 H new ATOM 0 HA PHE A 80 6.137 2.167 3.935 1.00 0.00 H new ATOM 0 HB2 PHE A 80 7.693 0.683 5.125 1.00 0.00 H new ATOM 0 HB3 PHE A 80 8.450 0.230 3.610 1.00 0.00 H new ATOM 0 HD1 PHE A 80 7.513 3.790 4.017 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.621 0.928 4.627 1.00 0.00 H new ATOM 0 HE1 PHE A 80 9.184 5.588 3.895 1.00 0.00 H new ATOM 0 HE2 PHE A 80 12.264 2.761 4.751 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.559 5.096 4.359 1.00 0.00 H new ATOM 855 N ILE A 81 6.859 3.174 1.850 1.00 0.00 N ATOM 856 CA ILE A 81 6.999 3.963 0.623 1.00 0.00 C ATOM 857 C ILE A 81 8.109 5.000 0.888 1.00 0.00 C ATOM 858 O ILE A 81 7.836 6.022 1.529 1.00 0.00 O ATOM 859 CB ILE A 81 5.639 4.638 0.330 1.00 0.00 C ATOM 860 CG1 ILE A 81 4.500 3.630 0.155 1.00 0.00 C ATOM 861 CG2 ILE A 81 5.690 5.508 -0.917 1.00 0.00 C ATOM 862 CD1 ILE A 81 3.905 3.185 1.487 1.00 0.00 C ATOM 0 H ILE A 81 6.638 3.760 2.655 1.00 0.00 H new ATOM 0 HA ILE A 81 7.269 3.360 -0.244 1.00 0.00 H new ATOM 0 HB ILE A 81 5.440 5.254 1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.717 4.075 -0.459 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.870 2.758 -0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.713 5.962 -1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.436 6.291 -0.784 1.00 0.00 H new ATOM 0 HG23 ILE A 81 5.957 4.895 -1.778 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.102 2.471 1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.680 2.714 2.092 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.508 4.052 2.016 1.00 0.00 H new ATOM 864 N PRO A 82 9.375 4.623 0.646 1.00 0.00 N ATOM 865 CA PRO A 82 10.525 5.515 0.837 1.00 0.00 C ATOM 866 C PRO A 82 10.675 6.467 -0.362 1.00 0.00 C ATOM 867 O PRO A 82 10.073 7.538 -0.389 1.00 0.00 O ATOM 868 CB PRO A 82 11.746 4.592 1.021 1.00 0.00 C ATOM 869 CG PRO A 82 11.194 3.168 1.105 1.00 0.00 C ATOM 870 CD PRO A 82 9.833 3.242 0.425 1.00 0.00 C ATOM 0 HA PRO A 82 10.408 6.162 1.707 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.439 4.692 0.186 1.00 0.00 H new ATOM 0 HB3 PRO A 82 12.297 4.850 1.925 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.850 2.458 0.602 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.102 2.839 2.140 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.910 3.016 -0.639 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.137 2.521 0.854 1.00 0.00 H new ATOM 871 N ASN A 83 11.445 6.002 -1.349 1.00 0.00 N ATOM 872 CA ASN A 83 11.919 6.688 -2.566 1.00 0.00 C ATOM 873 C ASN A 83 12.985 5.767 -3.197 1.00 0.00 C ATOM 874 O ASN A 83 13.027 4.583 -2.858 1.00 0.00 O ATOM 875 CB ASN A 83 12.530 8.047 -2.193 1.00 0.00 C ATOM 876 CG ASN A 83 12.106 9.106 -3.207 1.00 0.00 C ATOM 877 OD1 ASN A 83 12.247 8.953 -4.412 1.00 0.00 O ATOM 878 ND2 ASN A 83 11.518 10.172 -2.712 1.00 0.00 N ATOM 0 H ASN A 83 11.789 5.042 -1.318 1.00 0.00 H new ATOM 0 HA ASN A 83 11.105 6.876 -3.266 1.00 0.00 H new ATOM 0 HB2 ASN A 83 12.207 8.338 -1.194 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.617 7.971 -2.167 1.00 0.00 H new ATOM 0 HD21 ASN A 83 11.166 10.897 -3.337 1.00 0.00 H new ATOM 0 HD22 ASN A 83 11.413 10.274 -1.703 1.00 0.00 H new ATOM 882 N ASP A 84 13.789 6.289 -4.131 1.00 0.00 N ATOM 883 CA ASP A 84 14.942 5.593 -4.755 1.00 0.00 C ATOM 884 C ASP A 84 14.647 4.138 -5.178 1.00 0.00 C ATOM 885 O ASP A 84 15.458 3.233 -4.986 1.00 0.00 O ATOM 886 CB ASP A 84 16.180 5.688 -3.840 1.00 0.00 C ATOM 887 CG ASP A 84 17.455 5.085 -4.454 1.00 0.00 C ATOM 888 OD1 ASP A 84 17.667 5.295 -5.670 1.00 0.00 O ATOM 889 OD2 ASP A 84 18.227 4.485 -3.676 1.00 0.00 O ATOM 0 H ASP A 84 13.659 7.235 -4.490 1.00 0.00 H new ATOM 0 HA ASP A 84 15.151 6.114 -5.690 1.00 0.00 H new ATOM 0 HB2 ASP A 84 16.364 6.735 -3.601 1.00 0.00 H new ATOM 0 HB3 ASP A 84 15.965 5.179 -2.900 1.00 0.00 H new ATOM 891 N ASN A 85 13.463 3.952 -5.761 1.00 0.00 N ATOM 892 CA ASN A 85 12.960 2.646 -6.238 1.00 0.00 C ATOM 893 C ASN A 85 13.000 1.600 -5.108 1.00 0.00 C ATOM 894 O ASN A 85 13.931 0.806 -5.013 1.00 0.00 O ATOM 895 CB ASN A 85 13.775 2.145 -7.451 1.00 0.00 C ATOM 896 CG ASN A 85 14.464 3.238 -8.275 1.00 0.00 C ATOM 897 OD1 ASN A 85 13.890 4.239 -8.681 1.00 0.00 O ATOM 898 ND2 ASN A 85 15.777 3.201 -8.241 1.00 0.00 N ATOM 0 H ASN A 85 12.806 4.716 -5.922 1.00 0.00 H new ATOM 0 HA ASN A 85 11.925 2.785 -6.552 1.00 0.00 H new ATOM 0 HB2 ASN A 85 14.534 1.449 -7.095 1.00 0.00 H new ATOM 0 HB3 ASN A 85 13.110 1.583 -8.107 1.00 0.00 H new ATOM 0 HD21 ASN A 85 16.318 4.007 -8.553 1.00 0.00 H new ATOM 0 HD22 ASN A 85 16.255 2.366 -7.902 1.00 0.00 H new ATOM 902 N LYS A 86 12.028 1.700 -4.199 1.00 0.00 N ATOM 903 CA LYS A 86 11.873 0.769 -3.058 1.00 0.00 C ATOM 904 C LYS A 86 10.519 0.939 -2.359 1.00 0.00 C ATOM 905 O LYS A 86 10.009 2.054 -2.269 1.00 0.00 O ATOM 906 CB LYS A 86 12.986 1.022 -2.033 1.00 0.00 C ATOM 907 CG LYS A 86 13.916 -0.189 -1.908 1.00 0.00 C ATOM 908 CD LYS A 86 15.362 0.197 -1.562 1.00 0.00 C ATOM 909 CE LYS A 86 15.545 0.865 -0.193 1.00 0.00 C ATOM 910 NZ LYS A 86 15.226 -0.046 0.917 1.00 0.00 N ATOM 0 H LYS A 86 11.317 2.431 -4.226 1.00 0.00 H new ATOM 0 HA LYS A 86 11.932 -0.245 -3.454 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.564 1.897 -2.330 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.544 1.246 -1.062 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.531 -0.858 -1.139 1.00 0.00 H new ATOM 0 HG3 LYS A 86 13.909 -0.744 -2.846 1.00 0.00 H new ATOM 0 HD2 LYS A 86 15.980 -0.700 -1.597 1.00 0.00 H new ATOM 0 HD3 LYS A 86 15.736 0.872 -2.332 1.00 0.00 H new ATOM 0 HE2 LYS A 86 16.574 1.210 -0.094 1.00 0.00 H new ATOM 0 HE3 LYS A 86 14.906 1.746 -0.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 15.364 0.448 1.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 14.236 -0.355 0.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 15.852 -0.875 0.876 1.00 0.00 H new ATOM 915 N ILE A 87 9.878 -0.204 -2.146 1.00 0.00 N ATOM 916 CA ILE A 87 8.672 -0.378 -1.304 1.00 0.00 C ATOM 917 C ILE A 87 8.635 -1.816 -0.746 1.00 0.00 C ATOM 918 O ILE A 87 9.093 -2.762 -1.387 1.00 0.00 O ATOM 919 CB ILE A 87 7.362 -0.016 -2.058 1.00 0.00 C ATOM 920 CG1 ILE A 87 6.105 -0.195 -1.185 1.00 0.00 C ATOM 921 CG2 ILE A 87 7.223 -0.794 -3.371 1.00 0.00 C ATOM 922 CD1 ILE A 87 4.792 0.308 -1.791 1.00 0.00 C ATOM 0 H ILE A 87 10.187 -1.080 -2.567 1.00 0.00 H new ATOM 0 HA ILE A 87 8.735 0.322 -0.471 1.00 0.00 H new ATOM 0 HB ILE A 87 7.441 1.044 -2.299 1.00 0.00 H new ATOM 0 HG12 ILE A 87 5.994 -1.255 -0.955 1.00 0.00 H new ATOM 0 HG13 ILE A 87 6.267 0.321 -0.239 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.294 -0.510 -3.865 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.066 -0.562 -4.022 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.210 -1.863 -3.161 1.00 0.00 H new ATOM 0 HD11 ILE A 87 3.976 0.131 -1.090 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.870 1.376 -1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.593 -0.224 -2.721 1.00 0.00 H new ATOM 924 N LEU A 88 8.150 -1.918 0.486 1.00 0.00 N ATOM 925 CA LEU A 88 7.792 -3.208 1.108 1.00 0.00 C ATOM 926 C LEU A 88 6.308 -3.266 1.478 1.00 0.00 C ATOM 927 O LEU A 88 5.764 -2.291 1.995 1.00 0.00 O ATOM 928 CB LEU A 88 8.623 -3.509 2.359 1.00 0.00 C ATOM 929 CG LEU A 88 9.840 -4.389 2.056 1.00 0.00 C ATOM 930 CD1 LEU A 88 11.014 -3.574 1.508 1.00 0.00 C ATOM 931 CD2 LEU A 88 10.235 -5.176 3.306 1.00 0.00 C ATOM 0 H LEU A 88 7.990 -1.113 1.091 1.00 0.00 H new ATOM 0 HA LEU A 88 8.010 -3.965 0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.958 -2.572 2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.994 -4.006 3.098 1.00 0.00 H new ATOM 0 HG LEU A 88 9.565 -5.095 1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.855 -4.237 1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.714 -3.079 0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 88 11.310 -2.824 2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.101 -5.800 3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.483 -4.482 4.109 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.403 -5.808 3.616 1.00 0.00 H new ATOM 933 N LEU A 89 5.696 -4.403 1.161 1.00 0.00 N ATOM 934 CA LEU A 89 4.282 -4.695 1.478 1.00 0.00 C ATOM 935 C LEU A 89 4.138 -6.002 2.277 1.00 0.00 C ATOM 936 O LEU A 89 4.791 -7.009 1.988 1.00 0.00 O ATOM 937 CB LEU A 89 3.502 -4.768 0.156 1.00 0.00 C ATOM 938 CG LEU A 89 1.973 -4.646 0.242 1.00 0.00 C ATOM 939 CD1 LEU A 89 1.405 -4.080 -1.061 1.00 0.00 C ATOM 940 CD2 LEU A 89 1.305 -5.990 0.522 1.00 0.00 C ATOM 0 H LEU A 89 6.165 -5.164 0.670 1.00 0.00 H new ATOM 0 HA LEU A 89 3.879 -3.902 2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.869 -3.977 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.740 -5.716 -0.326 1.00 0.00 H new ATOM 0 HG LEU A 89 1.760 -3.971 1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.321 -4.001 -0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.828 -3.092 -1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.661 -4.743 -1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.225 -5.855 0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.545 -6.689 -0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.668 -6.386 1.471 1.00 0.00 H new ATOM 942 N THR A 90 3.283 -5.928 3.293 1.00 0.00 N ATOM 943 CA THR A 90 2.854 -7.089 4.106 1.00 0.00 C ATOM 944 C THR A 90 1.323 -7.253 4.087 1.00 0.00 C ATOM 945 O THR A 90 0.589 -6.277 3.958 1.00 0.00 O ATOM 946 CB THR A 90 3.313 -6.980 5.569 1.00 0.00 C ATOM 947 OG1 THR A 90 2.769 -5.802 6.172 1.00 0.00 O ATOM 948 CG2 THR A 90 4.839 -7.028 5.701 1.00 0.00 C ATOM 0 H THR A 90 2.855 -5.051 3.589 1.00 0.00 H new ATOM 0 HA THR A 90 3.326 -7.960 3.652 1.00 0.00 H new ATOM 0 HB THR A 90 2.931 -7.849 6.104 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.107 -5.010 5.705 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.116 -6.948 6.752 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.209 -7.971 5.299 1.00 0.00 H new ATOM 0 HG23 THR A 90 5.278 -6.199 5.146 1.00 0.00 H new ATOM 951 N ILE A 91 0.892 -8.500 4.258 1.00 0.00 N ATOM 952 CA ILE A 91 -0.529 -8.906 4.316 1.00 0.00 C ATOM 953 C ILE A 91 -0.731 -9.552 5.698 1.00 0.00 C ATOM 954 O ILE A 91 0.102 -10.331 6.160 1.00 0.00 O ATOM 955 CB ILE A 91 -0.877 -9.942 3.216 1.00 0.00 C ATOM 956 CG1 ILE A 91 -0.534 -9.499 1.779 1.00 0.00 C ATOM 957 CG2 ILE A 91 -2.333 -10.430 3.308 1.00 0.00 C ATOM 958 CD1 ILE A 91 -1.339 -8.336 1.184 1.00 0.00 C ATOM 0 H ILE A 91 1.532 -9.287 4.364 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.173 -8.041 4.157 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.218 -10.783 3.430 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.521 -9.225 1.754 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.655 -10.361 1.123 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.525 -11.153 2.516 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.498 -10.901 4.277 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.009 -9.582 3.196 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.991 -8.133 0.171 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.396 -8.601 1.159 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.202 -7.447 1.799 1.00 0.00 H new ATOM 960 N MET A 92 -1.778 -9.087 6.359 1.00 0.00 N ATOM 961 CA MET A 92 -2.313 -9.590 7.641 1.00 0.00 C ATOM 962 C MET A 92 -3.842 -9.668 7.524 1.00 0.00 C ATOM 963 O MET A 92 -4.434 -9.214 6.542 1.00 0.00 O ATOM 964 CB MET A 92 -1.983 -8.603 8.767 1.00 0.00 C ATOM 965 CG MET A 92 -0.492 -8.451 9.062 1.00 0.00 C ATOM 966 SD MET A 92 -0.160 -6.902 9.975 1.00 0.00 S ATOM 967 CE MET A 92 0.411 -5.910 8.615 1.00 0.00 C ATOM 0 H MET A 92 -2.320 -8.299 6.004 1.00 0.00 H new ATOM 0 HA MET A 92 -1.876 -10.564 7.860 1.00 0.00 H new ATOM 0 HB2 MET A 92 -2.390 -7.626 8.507 1.00 0.00 H new ATOM 0 HB3 MET A 92 -2.489 -8.927 9.676 1.00 0.00 H new ATOM 0 HG2 MET A 92 -0.144 -9.303 9.646 1.00 0.00 H new ATOM 0 HG3 MET A 92 0.070 -8.454 8.128 1.00 0.00 H new ATOM 0 HE1 MET A 92 0.089 -4.878 8.757 1.00 0.00 H new ATOM 0 HE2 MET A 92 1.499 -5.948 8.569 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.005 -6.295 7.684 1.00 0.00 H new ATOM 969 N ASN A 93 -4.478 -10.102 8.606 1.00 0.00 N ATOM 970 CA ASN A 93 -5.941 -10.226 8.670 1.00 0.00 C ATOM 971 C ASN A 93 -6.359 -10.329 10.142 1.00 0.00 C ATOM 972 O ASN A 93 -5.810 -11.139 10.889 1.00 0.00 O ATOM 973 CB ASN A 93 -6.310 -11.497 7.905 1.00 0.00 C ATOM 974 CG ASN A 93 -7.734 -11.488 7.372 1.00 0.00 C ATOM 975 OD1 ASN A 93 -8.693 -11.700 8.100 1.00 0.00 O ATOM 976 ND2 ASN A 93 -7.850 -11.244 6.084 1.00 0.00 N ATOM 0 H ASN A 93 -4.002 -10.379 9.464 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.449 -9.367 8.231 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.619 -11.625 7.072 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.181 -12.358 8.561 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -8.773 -11.226 5.649 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -7.017 -11.073 5.520 1.00 0.00 H new ATOM 980 N THR A 94 -7.316 -9.486 10.519 1.00 0.00 N ATOM 981 CA THR A 94 -7.862 -9.386 11.895 1.00 0.00 C ATOM 982 C THR A 94 -8.485 -10.715 12.383 1.00 0.00 C ATOM 983 O THR A 94 -8.782 -10.869 13.566 1.00 0.00 O ATOM 984 CB THR A 94 -8.900 -8.246 11.975 1.00 0.00 C ATOM 985 OG1 THR A 94 -8.474 -7.130 11.181 1.00 0.00 O ATOM 986 CG2 THR A 94 -9.114 -7.748 13.408 1.00 0.00 C ATOM 0 H THR A 94 -7.753 -8.832 9.870 1.00 0.00 H new ATOM 0 HA THR A 94 -7.026 -9.163 12.557 1.00 0.00 H new ATOM 0 HB THR A 94 -9.838 -8.658 11.602 1.00 0.00 H new ATOM 0 HG1 THR A 94 -9.141 -6.414 11.238 1.00 0.00 H new ATOM 0 HG21 THR A 94 -9.853 -6.947 13.408 1.00 0.00 H new ATOM 0 HG22 THR A 94 -9.470 -8.570 14.030 1.00 0.00 H new ATOM 0 HG23 THR A 94 -8.172 -7.373 13.807 1.00 0.00 H new ATOM 989 N GLU A 95 -8.756 -11.624 11.443 1.00 0.00 N ATOM 990 CA GLU A 95 -9.341 -12.954 11.720 1.00 0.00 C ATOM 991 C GLU A 95 -8.667 -14.144 10.993 1.00 0.00 C ATOM 992 O GLU A 95 -9.339 -15.055 10.508 1.00 0.00 O ATOM 993 CB GLU A 95 -10.859 -12.861 11.488 1.00 0.00 C ATOM 994 CG GLU A 95 -11.241 -12.434 10.062 1.00 0.00 C ATOM 995 CD GLU A 95 -12.613 -11.760 10.011 1.00 0.00 C ATOM 996 OE1 GLU A 95 -13.594 -12.375 10.486 1.00 0.00 O ATOM 997 OE2 GLU A 95 -12.645 -10.597 9.550 1.00 0.00 O ATOM 0 H GLU A 95 -8.576 -11.462 10.452 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.140 -13.201 12.762 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.310 -13.830 11.701 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.283 -12.150 12.197 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -10.487 -11.749 9.675 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -11.242 -13.308 9.411 1.00 0.00 H new ATOM 999 N ALA A 96 -7.334 -14.130 10.922 1.00 0.00 N ATOM 1000 CA ALA A 96 -6.561 -15.224 10.288 1.00 0.00 C ATOM 1001 C ALA A 96 -5.469 -15.824 11.200 1.00 0.00 C ATOM 1002 O ALA A 96 -5.408 -15.507 12.388 1.00 0.00 O ATOM 1003 CB ALA A 96 -5.988 -14.740 8.951 1.00 0.00 C ATOM 0 H ALA A 96 -6.758 -13.375 11.294 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.253 -16.047 10.107 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.420 -15.545 8.486 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.804 -14.444 8.292 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.333 -13.886 9.124 1.00 0.00 H new ATOM 1005 N LEU A 97 -4.578 -16.628 10.611 1.00 0.00 N ATOM 1006 CA LEU A 97 -3.505 -17.357 11.319 1.00 0.00 C ATOM 1007 C LEU A 97 -2.445 -17.826 10.301 1.00 0.00 C ATOM 1008 O LEU A 97 -2.574 -18.884 9.688 1.00 0.00 O ATOM 1009 CB LEU A 97 -4.167 -18.530 12.064 1.00 0.00 C ATOM 1010 CG LEU A 97 -3.309 -19.161 13.164 1.00 0.00 C ATOM 1011 CD1 LEU A 97 -4.216 -19.540 14.337 1.00 0.00 C ATOM 1012 CD2 LEU A 97 -2.605 -20.422 12.658 1.00 0.00 C ATOM 0 H LEU A 97 -4.577 -16.798 9.605 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.988 -16.725 12.041 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.100 -18.180 12.506 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.427 -19.301 11.339 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.552 -18.440 13.473 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.618 -19.991 15.129 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.709 -18.646 14.719 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.968 -20.253 14.000 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.003 -20.849 13.460 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.350 -21.150 12.336 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.960 -20.166 11.817 1.00 0.00 H new ATOM 1014 N GLY A 98 -1.545 -16.887 9.975 1.00 0.00 N ATOM 1015 CA GLY A 98 -0.406 -17.160 9.073 1.00 0.00 C ATOM 1016 C GLY A 98 -0.442 -16.337 7.777 1.00 0.00 C ATOM 1017 O GLY A 98 -1.211 -16.623 6.861 1.00 0.00 O ATOM 0 H GLY A 98 -1.580 -15.928 10.321 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.524 -16.951 9.601 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -0.398 -18.220 8.821 1.00 0.00 H new ATOM 1019 N THR A 99 0.395 -15.304 7.755 1.00 0.00 N ATOM 1020 CA THR A 99 0.545 -14.398 6.594 1.00 0.00 C ATOM 1021 C THR A 99 1.898 -13.681 6.620 1.00 0.00 C ATOM 1022 O THR A 99 2.147 -12.821 7.464 1.00 0.00 O ATOM 1023 CB THR A 99 -0.565 -13.337 6.464 1.00 0.00 C ATOM 1024 OG1 THR A 99 -1.566 -13.422 7.485 1.00 0.00 O ATOM 1025 CG2 THR A 99 -1.203 -13.449 5.081 1.00 0.00 C ATOM 0 H THR A 99 0.997 -15.061 8.541 1.00 0.00 H new ATOM 0 HA THR A 99 0.470 -15.056 5.728 1.00 0.00 H new ATOM 0 HB THR A 99 -0.095 -12.362 6.593 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.237 -12.722 7.345 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.990 -12.701 4.982 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.445 -13.282 4.316 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.631 -14.444 4.957 1.00 0.00 H new ATOM 1028 N SER A 100 2.836 -14.241 5.861 1.00 0.00 N ATOM 1029 CA SER A 100 4.180 -13.638 5.712 1.00 0.00 C ATOM 1030 C SER A 100 4.601 -13.488 4.233 1.00 0.00 C ATOM 1031 O SER A 100 5.440 -14.248 3.747 1.00 0.00 O ATOM 1032 CB SER A 100 5.209 -14.438 6.527 1.00 0.00 C ATOM 1033 OG SER A 100 4.780 -14.527 7.889 1.00 0.00 O ATOM 0 H SER A 100 2.703 -15.106 5.338 1.00 0.00 H new ATOM 0 HA SER A 100 4.138 -12.624 6.110 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.324 -15.437 6.106 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.185 -13.955 6.474 1.00 0.00 H new ATOM 0 HG SER A 100 5.437 -15.039 8.406 1.00 0.00 H new ATOM 1036 N PRO A 101 4.008 -12.527 3.502 1.00 0.00 N ATOM 1037 CA PRO A 101 4.317 -12.297 2.075 1.00 0.00 C ATOM 1038 C PRO A 101 5.668 -11.594 1.859 1.00 0.00 C ATOM 1039 O PRO A 101 6.426 -11.992 0.982 1.00 0.00 O ATOM 1040 CB PRO A 101 3.135 -11.480 1.551 1.00 0.00 C ATOM 1041 CG PRO A 101 2.726 -10.660 2.770 1.00 0.00 C ATOM 1042 CD PRO A 101 2.937 -11.611 3.948 1.00 0.00 C ATOM 0 HA PRO A 101 4.433 -13.236 1.533 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.422 -10.844 0.713 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.324 -12.119 1.203 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.336 -9.762 2.869 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.688 -10.335 2.701 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.228 -11.069 4.848 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.023 -12.156 4.186 1.00 0.00 H new ATOM 1043 N ARG A 102 5.861 -10.477 2.569 1.00 0.00 N ATOM 1044 CA ARG A 102 7.111 -9.696 2.658 1.00 0.00 C ATOM 1045 C ARG A 102 7.691 -9.386 1.265 1.00 0.00 C ATOM 1046 O ARG A 102 8.757 -9.846 0.858 1.00 0.00 O ATOM 1047 CB ARG A 102 8.035 -10.490 3.586 1.00 0.00 C ATOM 1048 CG ARG A 102 9.223 -9.714 4.163 1.00 0.00 C ATOM 1049 CD ARG A 102 9.496 -10.150 5.609 1.00 0.00 C ATOM 1050 NE ARG A 102 9.598 -11.619 5.723 1.00 0.00 N ATOM 1051 CZ ARG A 102 9.404 -12.356 6.818 1.00 0.00 C ATOM 1052 NH1 ARG A 102 9.127 -11.822 8.001 1.00 0.00 N ATOM 1053 NH2 ARG A 102 9.333 -13.674 6.710 1.00 0.00 N ATOM 0 H ARG A 102 5.113 -10.067 3.129 1.00 0.00 H new ATOM 0 HA ARG A 102 6.955 -8.703 3.079 1.00 0.00 H new ATOM 0 HB2 ARG A 102 7.442 -10.878 4.414 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.418 -11.350 3.037 1.00 0.00 H new ATOM 0 HG2 ARG A 102 10.109 -9.885 3.551 1.00 0.00 H new ATOM 0 HG3 ARG A 102 9.016 -8.644 4.132 1.00 0.00 H new ATOM 0 HD2 ARG A 102 10.421 -9.692 5.959 1.00 0.00 H new ATOM 0 HD3 ARG A 102 8.696 -9.789 6.256 1.00 0.00 H new ATOM 0 HE ARG A 102 9.843 -12.125 4.872 1.00 0.00 H new ATOM 0 HH11 ARG A 102 9.055 -10.809 8.099 1.00 0.00 H new ATOM 0 HH12 ARG A 102 8.986 -12.424 8.812 1.00 0.00 H new ATOM 0 HH21 ARG A 102 9.426 -14.117 5.796 1.00 0.00 H new ATOM 0 HH22 ARG A 102 9.185 -14.247 7.541 1.00 0.00 H new ATOM 1060 N MET A 103 6.998 -8.458 0.610 1.00 0.00 N ATOM 1061 CA MET A 103 7.235 -8.167 -0.812 1.00 0.00 C ATOM 1062 C MET A 103 7.996 -6.851 -0.991 1.00 0.00 C ATOM 1063 O MET A 103 7.545 -5.787 -0.563 1.00 0.00 O ATOM 1064 CB MET A 103 5.887 -8.165 -1.540 1.00 0.00 C ATOM 1065 CG MET A 103 6.077 -8.390 -3.040 1.00 0.00 C ATOM 1066 SD MET A 103 4.497 -8.657 -3.918 1.00 0.00 S ATOM 1067 CE MET A 103 5.108 -8.836 -5.580 1.00 0.00 C ATOM 0 H MET A 103 6.266 -7.891 1.037 1.00 0.00 H new ATOM 0 HA MET A 103 7.868 -8.939 -1.248 1.00 0.00 H new ATOM 0 HB2 MET A 103 5.246 -8.945 -1.129 1.00 0.00 H new ATOM 0 HB3 MET A 103 5.380 -7.215 -1.372 1.00 0.00 H new ATOM 0 HG2 MET A 103 6.586 -7.528 -3.471 1.00 0.00 H new ATOM 0 HG3 MET A 103 6.724 -9.253 -3.195 1.00 0.00 H new ATOM 0 HE1 MET A 103 4.744 -8.011 -6.192 1.00 0.00 H new ATOM 0 HE2 MET A 103 6.198 -8.827 -5.570 1.00 0.00 H new ATOM 0 HE3 MET A 103 4.757 -9.780 -5.997 1.00 0.00 H new ATOM 1069 N THR A 104 9.171 -7.006 -1.598 1.00 0.00 N ATOM 1070 CA THR A 104 10.126 -5.916 -1.870 1.00 0.00 C ATOM 1071 C THR A 104 10.218 -5.640 -3.370 1.00 0.00 C ATOM 1072 O THR A 104 10.740 -6.424 -4.166 1.00 0.00 O ATOM 1073 CB THR A 104 11.513 -6.158 -1.231 1.00 0.00 C ATOM 1074 OG1 THR A 104 12.372 -5.060 -1.550 1.00 0.00 O ATOM 1075 CG2 THR A 104 12.165 -7.501 -1.584 1.00 0.00 C ATOM 0 H THR A 104 9.500 -7.914 -1.926 1.00 0.00 H new ATOM 0 HA THR A 104 9.738 -5.019 -1.388 1.00 0.00 H new ATOM 0 HB THR A 104 11.353 -6.219 -0.154 1.00 0.00 H new ATOM 0 HG1 THR A 104 13.253 -5.206 -1.147 1.00 0.00 H new ATOM 0 HG21 THR A 104 13.133 -7.577 -1.089 1.00 0.00 H new ATOM 0 HG22 THR A 104 11.522 -8.316 -1.251 1.00 0.00 H new ATOM 0 HG23 THR A 104 12.304 -7.566 -2.663 1.00 0.00 H new ATOM 1078 N PHE A 105 9.509 -4.582 -3.736 1.00 0.00 N ATOM 1079 CA PHE A 105 9.349 -4.138 -5.126 1.00 0.00 C ATOM 1080 C PHE A 105 10.024 -2.780 -5.268 1.00 0.00 C ATOM 1081 O PHE A 105 9.916 -1.907 -4.403 1.00 0.00 O ATOM 1082 CB PHE A 105 7.876 -3.993 -5.571 1.00 0.00 C ATOM 1083 CG PHE A 105 6.790 -4.497 -4.611 1.00 0.00 C ATOM 1084 CD1 PHE A 105 6.683 -3.951 -3.340 1.00 0.00 C ATOM 1085 CD2 PHE A 105 5.741 -5.262 -5.102 1.00 0.00 C ATOM 1086 CE1 PHE A 105 5.540 -4.105 -2.577 1.00 0.00 C ATOM 1087 CE2 PHE A 105 4.593 -5.433 -4.338 1.00 0.00 C ATOM 1088 CZ PHE A 105 4.489 -4.847 -3.087 1.00 0.00 C ATOM 0 H PHE A 105 9.016 -3.991 -3.066 1.00 0.00 H new ATOM 0 HA PHE A 105 9.798 -4.903 -5.760 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.687 -2.938 -5.768 1.00 0.00 H new ATOM 0 HB3 PHE A 105 7.758 -4.520 -6.518 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.514 -3.391 -2.936 1.00 0.00 H new ATOM 0 HD2 PHE A 105 5.817 -5.723 -6.076 1.00 0.00 H new ATOM 0 HE1 PHE A 105 5.469 -3.653 -1.599 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.777 -6.027 -4.722 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.585 -4.970 -2.508 1.00 0.00 H new ATOM 1095 N ILE A 106 10.848 -2.676 -6.305 1.00 0.00 N ATOM 1096 CA ILE A 106 11.598 -1.448 -6.586 1.00 0.00 C ATOM 1097 C ILE A 106 11.118 -0.826 -7.904 1.00 0.00 C ATOM 1098 O ILE A 106 10.732 -1.546 -8.830 1.00 0.00 O ATOM 1099 CB ILE A 106 13.127 -1.704 -6.528 1.00 0.00 C ATOM 1100 CG1 ILE A 106 13.633 -2.643 -7.631 1.00 0.00 C ATOM 1101 CG2 ILE A 106 13.509 -2.229 -5.133 1.00 0.00 C ATOM 1102 CD1 ILE A 106 15.157 -2.584 -7.811 1.00 0.00 C ATOM 0 H ILE A 106 11.017 -3.430 -6.971 1.00 0.00 H new ATOM 0 HA ILE A 106 11.399 -0.711 -5.808 1.00 0.00 H new ATOM 0 HB ILE A 106 13.621 -0.749 -6.710 1.00 0.00 H new ATOM 0 HG12 ILE A 106 13.339 -3.666 -7.394 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.150 -2.383 -8.573 1.00 0.00 H new ATOM 0 HG21 ILE A 106 14.583 -2.409 -5.093 1.00 0.00 H new ATOM 0 HG22 ILE A 106 13.236 -1.490 -4.379 1.00 0.00 H new ATOM 0 HG23 ILE A 106 12.978 -3.161 -4.937 1.00 0.00 H new ATOM 0 HD11 ILE A 106 15.456 -3.269 -8.604 1.00 0.00 H new ATOM 0 HD12 ILE A 106 15.453 -1.569 -8.077 1.00 0.00 H new ATOM 0 HD13 ILE A 106 15.645 -2.872 -6.880 1.00 0.00 H new ATOM 1104 N LYS A 107 10.933 0.499 -7.886 1.00 0.00 N ATOM 1105 CA LYS A 107 10.430 1.291 -9.023 1.00 0.00 C ATOM 1106 C LYS A 107 11.488 1.342 -10.134 1.00 0.00 C ATOM 1107 O LYS A 107 12.334 2.231 -10.182 1.00 0.00 O ATOM 1108 CB LYS A 107 10.010 2.690 -8.527 1.00 0.00 C ATOM 1109 CG LYS A 107 9.359 3.578 -9.594 1.00 0.00 C ATOM 1110 CD LYS A 107 8.049 2.993 -10.129 1.00 0.00 C ATOM 1111 CE LYS A 107 7.539 3.796 -11.329 1.00 0.00 C ATOM 1112 NZ LYS A 107 6.333 4.572 -11.010 1.00 0.00 N ATOM 0 H LYS A 107 11.133 1.067 -7.063 1.00 0.00 H new ATOM 0 HA LYS A 107 9.546 0.821 -9.453 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.313 2.572 -7.697 1.00 0.00 H new ATOM 0 HB3 LYS A 107 10.889 3.201 -8.135 1.00 0.00 H new ATOM 0 HG2 LYS A 107 9.166 4.564 -9.172 1.00 0.00 H new ATOM 0 HG3 LYS A 107 10.056 3.716 -10.421 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.203 1.954 -10.421 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.297 2.994 -9.340 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.323 4.472 -11.671 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.323 3.116 -12.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.026 5.098 -11.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 5.575 3.927 -10.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.544 5.241 -10.242 1.00 0.00 H new ATOM 1117 N HIS A 108 11.515 0.213 -10.842 1.00 0.00 N ATOM 1118 CA HIS A 108 12.436 -0.183 -11.930 1.00 0.00 C ATOM 1119 C HIS A 108 13.592 -1.002 -11.332 1.00 0.00 C ATOM 1120 O HIS A 108 14.280 -0.568 -10.411 1.00 0.00 O ATOM 1121 CB HIS A 108 13.034 0.965 -12.768 1.00 0.00 C ATOM 1122 CG HIS A 108 12.014 2.005 -13.252 1.00 0.00 C ATOM 1123 ND1 HIS A 108 10.754 1.793 -13.624 1.00 0.00 N ATOM 1124 CD2 HIS A 108 12.217 3.320 -13.248 1.00 0.00 C ATOM 1125 CE1 HIS A 108 10.184 2.973 -13.845 1.00 0.00 C ATOM 1126 NE2 HIS A 108 11.088 3.920 -13.618 1.00 0.00 N ATOM 0 H HIS A 108 10.832 -0.522 -10.658 1.00 0.00 H new ATOM 0 HA HIS A 108 11.819 -0.755 -12.623 1.00 0.00 H new ATOM 0 HB2 HIS A 108 13.795 1.472 -12.174 1.00 0.00 H new ATOM 0 HB3 HIS A 108 13.538 0.539 -13.636 1.00 0.00 H new ATOM 0 HD1 HIS A 108 10.304 0.883 -13.722 1.00 0.00 H new ATOM 0 HD2 HIS A 108 13.141 3.816 -12.989 1.00 0.00 H new ATOM 0 HE1 HIS A 108 9.162 3.134 -14.156 1.00 0.00 H new ATOM 1129 N LYS A 109 13.628 -2.276 -11.716 1.00 0.00 N ATOM 1130 CA LYS A 109 14.697 -3.216 -11.307 1.00 0.00 C ATOM 1131 C LYS A 109 16.098 -2.897 -11.866 1.00 0.00 C ATOM 1132 O LYS A 109 17.073 -3.149 -11.125 1.00 99.99 O ATOM 1133 CG LYS A 109 13.336 -5.244 -10.643 1.00 0.00 C ATOM 1134 CD LYS A 109 12.191 -6.026 -11.294 1.00 0.00 C ATOM 1135 CE LYS A 109 12.644 -7.274 -12.058 1.00 0.00 C ATOM 1136 NZ LYS A 109 11.530 -7.801 -12.855 1.00 0.00 N ATOM 1137 OXT LYS A 109 16.158 -2.464 -13.038 1.00 99.99 O ATOM 0 H LYS A 109 12.922 -2.697 -12.320 1.00 0.00 H new ATOM 0 HD2 LYS A 109 11.482 -6.323 -10.521 1.00 0.00 H new ATOM 0 HD3 LYS A 109 11.658 -5.367 -11.979 1.00 0.00 H new ATOM 0 HE2 LYS A 109 13.484 -7.029 -12.708 1.00 0.00 H new ATOM 0 HE3 LYS A 109 12.993 -8.033 -11.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 11.843 -8.648 -13.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 10.741 -8.051 -12.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 11.216 -7.078 -13.533 1.00 0.00 H new TER 1142 LYS A 109