USER MOD reduce.3.24.130724 H: found=0, std=0, add=984, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 982 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 59 HIS : no HD1:sc= 0 K(o=0,f=-1.1) USER MOD Set 1.2: A 83 LYS NZ :NH3+ -166:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0212 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.12) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.773 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 154:sc= -0.517 (180deg=-1.68!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 152:sc= -0.296 (180deg=-1.14) USER MOD Single : A 46 LYS NZ :NH3+ -179:sc= -0.77 (180deg=-0.774) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -179:sc= -7.78! (180deg=-7.91!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 157:sc= -0.073 (180deg=-0.555) USER MOD Single : A 61 GLN : amide:sc= -1.68! X(o=-1.7!,f=-1.3) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 69 HIS : no HD1:sc= 0.123 K(o=0.12,f=-1.1) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 59:sc= 0.0212 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -179:sc= -1.72 (180deg=-1.73) USER MOD Single : A 78 GLN : amide:sc= -0.0153 X(o=-0.015,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.0203 X(o=-0.02,f=-0.02) USER MOD Single : A 89 ASN : amide:sc= -0.0103 X(o=-0.01,f=0) USER MOD Single : A 90 TYR OH : rot -15:sc= 1.23 USER MOD Single : A 92 CYS SG : rot 102:sc= -4.77! USER MOD Single : A 95 THR OG1 : rot -44:sc= 1.36 USER MOD Single : A 96 TYR OH : rot 110:sc= 0.0118 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 CYS SG : rot -160:sc= -1.53 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= -1.94 X(o=-1.9,f=-2.3!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= -1.57 X(o=-1.6,f=-2) USER MOD Single : A 121 SER OG : rot 9:sc= 0.525 USER MOD Single : A 124 SER OG : rot 35:sc= 0.0471 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.707 2.072 21.945 1.00 0.00 N ATOM 2 CA GLY A 1 6.590 1.361 21.350 1.00 0.00 C ATOM 3 C GLY A 1 7.034 0.358 20.304 1.00 0.00 C ATOM 4 O GLY A 1 7.774 -0.578 20.606 1.00 0.00 O ATOM 0 H1 GLY A 1 7.352 2.746 22.653 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.347 1.392 22.404 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.224 2.588 21.205 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.034 0.844 22.132 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.907 2.078 20.895 1.00 0.00 H new ATOM 8 N SER A 2 6.578 0.551 19.071 1.00 0.00 N ATOM 9 CA SER A 2 6.928 -0.348 17.977 1.00 0.00 C ATOM 10 C SER A 2 7.634 0.409 16.856 1.00 0.00 C ATOM 11 O SER A 2 8.785 0.123 16.528 1.00 0.00 O ATOM 12 CB SER A 2 5.674 -1.035 17.433 1.00 0.00 C ATOM 13 OG SER A 2 4.678 -0.086 17.093 1.00 0.00 O ATOM 0 H SER A 2 5.965 1.322 18.804 1.00 0.00 H new ATOM 0 HA SER A 2 7.609 -1.105 18.365 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.932 -1.626 16.554 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.282 -1.726 18.179 1.00 0.00 H new ATOM 0 HG SER A 2 3.888 -0.551 16.746 1.00 0.00 H new ATOM 19 N SER A 3 6.934 1.376 16.272 1.00 0.00 N ATOM 20 CA SER A 3 7.491 2.173 15.185 1.00 0.00 C ATOM 21 C SER A 3 8.018 3.507 15.704 1.00 0.00 C ATOM 22 O SER A 3 7.725 3.908 16.830 1.00 0.00 O ATOM 23 CB SER A 3 6.432 2.415 14.107 1.00 0.00 C ATOM 24 OG SER A 3 6.402 1.349 13.174 1.00 0.00 O ATOM 0 H SER A 3 5.980 1.627 16.533 1.00 0.00 H new ATOM 0 HA SER A 3 8.322 1.618 14.750 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.452 2.523 14.573 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.643 3.350 13.589 1.00 0.00 H new ATOM 0 HG SER A 3 5.716 1.526 12.497 1.00 0.00 H new ATOM 30 N GLY A 4 8.798 4.192 14.873 1.00 0.00 N ATOM 31 CA GLY A 4 9.355 5.474 15.265 1.00 0.00 C ATOM 32 C GLY A 4 10.870 5.467 15.282 1.00 0.00 C ATOM 33 O GLY A 4 11.485 5.314 16.337 1.00 0.00 O ATOM 0 H GLY A 4 9.054 3.882 13.936 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.006 6.244 14.577 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.985 5.740 16.255 1.00 0.00 H new ATOM 37 N SER A 5 11.475 5.631 14.110 1.00 0.00 N ATOM 38 CA SER A 5 12.928 5.638 13.993 1.00 0.00 C ATOM 39 C SER A 5 13.383 6.624 12.922 1.00 0.00 C ATOM 40 O SER A 5 12.598 7.034 12.067 1.00 0.00 O ATOM 41 CB SER A 5 13.441 4.235 13.661 1.00 0.00 C ATOM 42 OG SER A 5 13.192 3.335 14.728 1.00 0.00 O ATOM 0 H SER A 5 10.981 5.761 13.227 1.00 0.00 H new ATOM 0 HA SER A 5 13.343 5.952 14.951 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.956 3.872 12.755 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.511 4.274 13.457 1.00 0.00 H new ATOM 0 HG SER A 5 13.528 2.445 14.491 1.00 0.00 H new ATOM 48 N SER A 6 14.656 7.001 12.976 1.00 0.00 N ATOM 49 CA SER A 6 15.216 7.943 12.013 1.00 0.00 C ATOM 50 C SER A 6 15.881 7.205 10.855 1.00 0.00 C ATOM 51 O SER A 6 17.046 6.817 10.938 1.00 0.00 O ATOM 52 CB SER A 6 16.231 8.862 12.697 1.00 0.00 C ATOM 53 OG SER A 6 15.588 9.756 13.589 1.00 0.00 O ATOM 0 H SER A 6 15.319 6.669 13.676 1.00 0.00 H new ATOM 0 HA SER A 6 14.400 8.547 11.616 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.961 8.262 13.241 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.780 9.427 11.944 1.00 0.00 H new ATOM 0 HG SER A 6 16.257 10.331 14.015 1.00 0.00 H new ATOM 59 N GLY A 7 15.131 7.014 9.774 1.00 0.00 N ATOM 60 CA GLY A 7 15.663 6.323 8.614 1.00 0.00 C ATOM 61 C GLY A 7 14.574 5.732 7.741 1.00 0.00 C ATOM 62 O GLY A 7 14.084 4.634 8.007 1.00 0.00 O ATOM 0 H GLY A 7 14.164 7.326 9.681 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.261 7.018 8.024 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.332 5.528 8.944 1.00 0.00 H new ATOM 66 N ILE A 8 14.193 6.462 6.698 1.00 0.00 N ATOM 67 CA ILE A 8 13.154 6.003 5.784 1.00 0.00 C ATOM 68 C ILE A 8 13.759 5.444 4.500 1.00 0.00 C ATOM 69 O ILE A 8 14.374 6.174 3.722 1.00 0.00 O ATOM 70 CB ILE A 8 12.177 7.138 5.426 1.00 0.00 C ATOM 71 CG1 ILE A 8 11.496 7.671 6.689 1.00 0.00 C ATOM 72 CG2 ILE A 8 11.141 6.650 4.425 1.00 0.00 C ATOM 73 CD1 ILE A 8 12.322 8.695 7.435 1.00 0.00 C ATOM 0 H ILE A 8 14.588 7.373 6.465 1.00 0.00 H new ATOM 0 HA ILE A 8 12.607 5.213 6.299 1.00 0.00 H new ATOM 0 HB ILE A 8 12.740 7.951 4.968 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.540 8.117 6.416 1.00 0.00 H new ATOM 0 HG13 ILE A 8 11.279 6.836 7.355 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.458 7.464 4.182 1.00 0.00 H new ATOM 0 HG22 ILE A 8 11.642 6.314 3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.579 5.822 4.857 1.00 0.00 H new ATOM 0 HD11 ILE A 8 11.777 9.028 8.318 1.00 0.00 H new ATOM 0 HD12 ILE A 8 13.268 8.247 7.740 1.00 0.00 H new ATOM 0 HD13 ILE A 8 12.517 9.548 6.785 1.00 0.00 H new ATOM 85 N LEU A 9 13.578 4.146 4.284 1.00 0.00 N ATOM 86 CA LEU A 9 14.105 3.489 3.093 1.00 0.00 C ATOM 87 C LEU A 9 13.084 3.517 1.960 1.00 0.00 C ATOM 88 O LEU A 9 13.440 3.688 0.794 1.00 0.00 O ATOM 89 CB LEU A 9 14.490 2.043 3.412 1.00 0.00 C ATOM 90 CG LEU A 9 15.928 1.819 3.879 1.00 0.00 C ATOM 91 CD1 LEU A 9 16.197 0.337 4.089 1.00 0.00 C ATOM 92 CD2 LEU A 9 16.912 2.404 2.875 1.00 0.00 C ATOM 0 H LEU A 9 13.071 3.528 4.917 1.00 0.00 H new ATOM 0 HA LEU A 9 14.993 4.032 2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 9 13.816 1.671 4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 9 14.320 1.438 2.521 1.00 0.00 H new ATOM 0 HG LEU A 9 16.064 2.330 4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 9 17.226 0.197 4.421 1.00 0.00 H new ATOM 0 HD12 LEU A 9 15.515 -0.053 4.845 1.00 0.00 H new ATOM 0 HD13 LEU A 9 16.043 -0.197 3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 9 17.931 2.235 3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 9 16.775 1.921 1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 9 16.736 3.475 2.774 1.00 0.00 H new ATOM 104 N PHE A 10 11.813 3.349 2.310 1.00 0.00 N ATOM 105 CA PHE A 10 10.740 3.356 1.323 1.00 0.00 C ATOM 106 C PHE A 10 10.820 4.599 0.442 1.00 0.00 C ATOM 107 O PHE A 10 10.504 5.706 0.881 1.00 0.00 O ATOM 108 CB PHE A 10 9.378 3.297 2.018 1.00 0.00 C ATOM 109 CG PHE A 10 8.346 2.522 1.250 1.00 0.00 C ATOM 110 CD1 PHE A 10 8.555 1.188 0.936 1.00 0.00 C ATOM 111 CD2 PHE A 10 7.168 3.126 0.843 1.00 0.00 C ATOM 112 CE1 PHE A 10 7.607 0.473 0.229 1.00 0.00 C ATOM 113 CE2 PHE A 10 6.216 2.415 0.136 1.00 0.00 C ATOM 114 CZ PHE A 10 6.436 1.086 -0.171 1.00 0.00 C ATOM 0 H PHE A 10 11.501 3.206 3.271 1.00 0.00 H new ATOM 0 HA PHE A 10 10.856 2.476 0.691 1.00 0.00 H new ATOM 0 HB2 PHE A 10 9.501 2.846 3.003 1.00 0.00 H new ATOM 0 HB3 PHE A 10 9.015 4.313 2.175 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.468 0.702 1.247 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.991 4.165 1.081 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.782 -0.565 -0.011 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.302 2.898 -0.176 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.694 0.528 -0.723 1.00 0.00 H new ATOM 124 N ILE A 11 11.246 4.409 -0.802 1.00 0.00 N ATOM 125 CA ILE A 11 11.368 5.514 -1.745 1.00 0.00 C ATOM 126 C ILE A 11 10.038 6.240 -1.915 1.00 0.00 C ATOM 127 O ILE A 11 9.851 7.341 -1.397 1.00 0.00 O ATOM 128 CB ILE A 11 11.853 5.027 -3.123 1.00 0.00 C ATOM 129 CG1 ILE A 11 13.259 4.434 -3.013 1.00 0.00 C ATOM 130 CG2 ILE A 11 11.832 6.170 -4.127 1.00 0.00 C ATOM 131 CD1 ILE A 11 14.282 5.404 -2.463 1.00 0.00 C ATOM 0 H ILE A 11 11.513 3.500 -1.181 1.00 0.00 H new ATOM 0 HA ILE A 11 12.105 6.202 -1.331 1.00 0.00 H new ATOM 0 HB ILE A 11 11.177 4.248 -3.475 1.00 0.00 H new ATOM 0 HG12 ILE A 11 13.224 3.553 -2.372 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.581 4.098 -3.999 1.00 0.00 H new ATOM 0 HG21 ILE A 11 12.178 5.810 -5.096 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.815 6.551 -4.223 1.00 0.00 H new ATOM 0 HG23 ILE A 11 12.488 6.969 -3.782 1.00 0.00 H new ATOM 0 HD11 ILE A 11 15.256 4.916 -2.413 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.346 6.275 -3.116 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.983 5.721 -1.464 1.00 0.00 H new ATOM 143 N GLU A 12 9.117 5.616 -2.642 1.00 0.00 N ATOM 144 CA GLU A 12 7.803 6.203 -2.878 1.00 0.00 C ATOM 145 C GLU A 12 6.766 5.619 -1.924 1.00 0.00 C ATOM 146 O GLU A 12 6.963 4.545 -1.356 1.00 0.00 O ATOM 147 CB GLU A 12 7.369 5.970 -4.327 1.00 0.00 C ATOM 148 CG GLU A 12 6.479 7.070 -4.880 1.00 0.00 C ATOM 149 CD GLU A 12 7.264 8.291 -5.316 1.00 0.00 C ATOM 150 OE1 GLU A 12 8.103 8.770 -4.525 1.00 0.00 O ATOM 151 OE2 GLU A 12 7.040 8.768 -6.448 1.00 0.00 O ATOM 0 H GLU A 12 9.256 4.704 -3.078 1.00 0.00 H new ATOM 0 HA GLU A 12 7.874 7.275 -2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.257 5.883 -4.954 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.839 5.019 -4.390 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.915 6.683 -5.729 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.753 7.361 -4.121 1.00 0.00 H new ATOM 158 N LYS A 13 5.660 6.334 -1.752 1.00 0.00 N ATOM 159 CA LYS A 13 4.589 5.889 -0.867 1.00 0.00 C ATOM 160 C LYS A 13 3.246 5.900 -1.590 1.00 0.00 C ATOM 161 O LYS A 13 2.954 6.786 -2.394 1.00 0.00 O ATOM 162 CB LYS A 13 4.521 6.781 0.374 1.00 0.00 C ATOM 163 CG LYS A 13 5.832 6.865 1.136 1.00 0.00 C ATOM 164 CD LYS A 13 5.736 7.831 2.306 1.00 0.00 C ATOM 165 CE LYS A 13 6.026 9.260 1.873 1.00 0.00 C ATOM 166 NZ LYS A 13 6.199 10.168 3.041 1.00 0.00 N ATOM 0 H LYS A 13 5.481 7.225 -2.214 1.00 0.00 H new ATOM 0 HA LYS A 13 4.807 4.866 -0.559 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.220 7.785 0.074 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.746 6.403 1.041 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.105 5.875 1.502 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.626 7.186 0.462 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.739 7.777 2.743 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.441 7.535 3.083 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.928 9.278 1.262 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.210 9.623 1.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.395 11.132 2.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.329 10.170 3.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.994 9.836 3.624 1.00 0.00 H new ATOM 180 N PRO A 14 2.407 4.895 -1.298 1.00 0.00 N ATOM 181 CA PRO A 14 1.080 4.769 -1.908 1.00 0.00 C ATOM 182 C PRO A 14 0.115 5.846 -1.424 1.00 0.00 C ATOM 183 O PRO A 14 -0.298 5.845 -0.265 1.00 0.00 O ATOM 184 CB PRO A 14 0.610 3.386 -1.452 1.00 0.00 C ATOM 185 CG PRO A 14 1.355 3.130 -0.187 1.00 0.00 C ATOM 186 CD PRO A 14 2.689 3.805 -0.349 1.00 0.00 C ATOM 0 HA PRO A 14 1.116 4.886 -2.991 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.467 3.369 -1.287 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.830 2.626 -2.202 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.816 3.531 0.671 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.477 2.061 -0.015 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.064 4.186 0.601 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.442 3.119 -0.737 1.00 0.00 H new ATOM 194 N GLN A 15 -0.240 6.762 -2.319 1.00 0.00 N ATOM 195 CA GLN A 15 -1.157 7.844 -1.982 1.00 0.00 C ATOM 196 C GLN A 15 -2.602 7.440 -2.259 1.00 0.00 C ATOM 197 O GLN A 15 -3.004 7.286 -3.411 1.00 0.00 O ATOM 198 CB GLN A 15 -0.807 9.104 -2.775 1.00 0.00 C ATOM 199 CG GLN A 15 0.603 9.612 -2.517 1.00 0.00 C ATOM 200 CD GLN A 15 0.862 9.896 -1.051 1.00 0.00 C ATOM 201 OE1 GLN A 15 0.555 10.980 -0.553 1.00 0.00 O ATOM 202 NE2 GLN A 15 1.429 8.921 -0.350 1.00 0.00 N ATOM 0 H GLN A 15 0.093 6.776 -3.283 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.055 8.053 -0.917 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.921 8.897 -3.839 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.519 9.890 -2.525 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.322 8.874 -2.873 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.769 10.522 -3.094 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.667 8.039 -0.803 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.627 9.054 0.642 1.00 0.00 H new ATOM 211 N GLY A 16 -3.378 7.269 -1.193 1.00 0.00 N ATOM 212 CA GLY A 16 -4.769 6.884 -1.343 1.00 0.00 C ATOM 213 C GLY A 16 -5.496 7.725 -2.374 1.00 0.00 C ATOM 214 O GLY A 16 -4.971 8.733 -2.844 1.00 0.00 O ATOM 0 H GLY A 16 -3.068 7.390 -0.229 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.823 5.834 -1.632 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.274 6.977 -0.382 1.00 0.00 H new ATOM 218 N GLY A 17 -6.708 7.308 -2.728 1.00 0.00 N ATOM 219 CA GLY A 17 -7.487 8.040 -3.709 1.00 0.00 C ATOM 220 C GLY A 17 -8.971 7.745 -3.609 1.00 0.00 C ATOM 221 O GLY A 17 -9.456 7.309 -2.564 1.00 0.00 O ATOM 0 H GLY A 17 -7.164 6.476 -2.353 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.322 9.109 -3.575 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.136 7.787 -4.709 1.00 0.00 H new ATOM 225 N THR A 18 -9.695 7.984 -4.698 1.00 0.00 N ATOM 226 CA THR A 18 -11.132 7.744 -4.728 1.00 0.00 C ATOM 227 C THR A 18 -11.545 7.040 -6.015 1.00 0.00 C ATOM 228 O THR A 18 -11.463 7.612 -7.102 1.00 0.00 O ATOM 229 CB THR A 18 -11.924 9.059 -4.598 1.00 0.00 C ATOM 230 OG1 THR A 18 -11.377 9.858 -3.543 1.00 0.00 O ATOM 231 CG2 THR A 18 -13.394 8.781 -4.321 1.00 0.00 C ATOM 0 H THR A 18 -9.309 8.344 -5.571 1.00 0.00 H new ATOM 0 HA THR A 18 -11.363 7.104 -3.877 1.00 0.00 H new ATOM 0 HB THR A 18 -11.845 9.600 -5.541 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.885 10.693 -3.468 1.00 0.00 H new ATOM 0 HG21 THR A 18 -13.933 9.725 -4.233 1.00 0.00 H new ATOM 0 HG22 THR A 18 -13.815 8.198 -5.140 1.00 0.00 H new ATOM 0 HG23 THR A 18 -13.489 8.221 -3.391 1.00 0.00 H new ATOM 239 N VAL A 19 -11.991 5.794 -5.886 1.00 0.00 N ATOM 240 CA VAL A 19 -12.419 5.012 -7.039 1.00 0.00 C ATOM 241 C VAL A 19 -13.933 4.831 -7.049 1.00 0.00 C ATOM 242 O VAL A 19 -14.552 4.622 -6.005 1.00 0.00 O ATOM 243 CB VAL A 19 -11.748 3.626 -7.058 1.00 0.00 C ATOM 244 CG1 VAL A 19 -12.223 2.786 -5.882 1.00 0.00 C ATOM 245 CG2 VAL A 19 -12.025 2.918 -8.376 1.00 0.00 C ATOM 0 H VAL A 19 -12.065 5.305 -4.994 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.116 5.567 -7.927 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.671 3.762 -6.964 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.738 1.810 -5.912 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.968 3.289 -4.949 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.304 2.656 -5.941 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.543 1.940 -8.372 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -13.100 2.792 -8.503 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.630 3.514 -9.199 1.00 0.00 H new ATOM 255 N LYS A 20 -14.525 4.913 -8.236 1.00 0.00 N ATOM 256 CA LYS A 20 -15.967 4.757 -8.384 1.00 0.00 C ATOM 257 C LYS A 20 -16.377 3.297 -8.217 1.00 0.00 C ATOM 258 O LYS A 20 -15.584 2.388 -8.462 1.00 0.00 O ATOM 259 CB LYS A 20 -16.418 5.270 -9.754 1.00 0.00 C ATOM 260 CG LYS A 20 -17.898 5.608 -9.819 1.00 0.00 C ATOM 261 CD LYS A 20 -18.232 6.817 -8.961 1.00 0.00 C ATOM 262 CE LYS A 20 -17.711 8.103 -9.582 1.00 0.00 C ATOM 263 NZ LYS A 20 -18.638 8.633 -10.620 1.00 0.00 N ATOM 0 H LYS A 20 -14.028 5.087 -9.110 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.452 5.344 -7.604 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.839 6.158 -10.009 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.193 4.515 -10.508 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.182 5.805 -10.853 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.483 4.751 -9.485 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.312 6.886 -8.832 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.800 6.690 -7.968 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.572 8.852 -8.803 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.733 7.921 -10.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.247 9.510 -11.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.751 7.929 -11.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.564 8.831 -10.190 1.00 0.00 H new ATOM 277 N VAL A 21 -17.620 3.080 -7.799 1.00 0.00 N ATOM 278 CA VAL A 21 -18.135 1.730 -7.602 1.00 0.00 C ATOM 279 C VAL A 21 -18.125 0.942 -8.907 1.00 0.00 C ATOM 280 O VAL A 21 -18.799 1.307 -9.870 1.00 0.00 O ATOM 281 CB VAL A 21 -19.569 1.753 -7.040 1.00 0.00 C ATOM 282 CG1 VAL A 21 -20.169 0.356 -7.049 1.00 0.00 C ATOM 283 CG2 VAL A 21 -19.581 2.338 -5.635 1.00 0.00 C ATOM 0 H VAL A 21 -18.289 3.821 -7.590 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.478 1.243 -6.882 1.00 0.00 H new ATOM 0 HB VAL A 21 -20.181 2.389 -7.680 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -21.182 0.393 -6.648 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -20.196 -0.022 -8.071 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -19.559 -0.306 -6.434 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -20.602 2.347 -5.253 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -18.955 1.730 -4.982 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -19.195 3.357 -5.662 1.00 0.00 H new ATOM 293 N GLY A 22 -17.356 -0.143 -8.931 1.00 0.00 N ATOM 294 CA GLY A 22 -17.273 -0.966 -10.123 1.00 0.00 C ATOM 295 C GLY A 22 -16.054 -0.647 -10.965 1.00 0.00 C ATOM 296 O GLY A 22 -15.692 -1.411 -11.859 1.00 0.00 O ATOM 0 H GLY A 22 -16.790 -0.466 -8.147 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.246 -2.017 -9.834 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.172 -0.823 -10.722 1.00 0.00 H new ATOM 300 N GLU A 23 -15.420 0.486 -10.680 1.00 0.00 N ATOM 301 CA GLU A 23 -14.236 0.905 -11.420 1.00 0.00 C ATOM 302 C GLU A 23 -13.009 0.111 -10.979 1.00 0.00 C ATOM 303 O GLU A 23 -13.111 -0.809 -10.168 1.00 0.00 O ATOM 304 CB GLU A 23 -13.986 2.402 -11.221 1.00 0.00 C ATOM 305 CG GLU A 23 -14.582 3.269 -12.317 1.00 0.00 C ATOM 306 CD GLU A 23 -14.400 2.671 -13.699 1.00 0.00 C ATOM 307 OE1 GLU A 23 -13.259 2.680 -14.204 1.00 0.00 O ATOM 308 OE2 GLU A 23 -15.400 2.192 -14.274 1.00 0.00 O ATOM 0 H GLU A 23 -15.706 1.130 -9.942 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.413 0.710 -12.478 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.403 2.707 -10.261 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.912 2.579 -11.173 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -15.645 3.412 -12.124 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.118 4.255 -12.288 1.00 0.00 H new ATOM 315 N ASP A 24 -11.852 0.474 -11.520 1.00 0.00 N ATOM 316 CA ASP A 24 -10.605 -0.204 -11.184 1.00 0.00 C ATOM 317 C ASP A 24 -9.506 0.806 -10.868 1.00 0.00 C ATOM 318 O ASP A 24 -9.146 1.630 -11.709 1.00 0.00 O ATOM 319 CB ASP A 24 -10.166 -1.111 -12.334 1.00 0.00 C ATOM 320 CG ASP A 24 -9.845 -0.333 -13.595 1.00 0.00 C ATOM 321 OD1 ASP A 24 -10.532 0.675 -13.860 1.00 0.00 O ATOM 322 OD2 ASP A 24 -8.908 -0.733 -14.318 1.00 0.00 O ATOM 0 H ASP A 24 -11.751 1.234 -12.193 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.779 -0.814 -10.298 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.288 -1.681 -12.029 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.956 -1.832 -12.546 1.00 0.00 H new ATOM 327 N ILE A 25 -8.978 0.736 -9.651 1.00 0.00 N ATOM 328 CA ILE A 25 -7.920 1.644 -9.224 1.00 0.00 C ATOM 329 C ILE A 25 -6.642 0.882 -8.892 1.00 0.00 C ATOM 330 O ILE A 25 -6.683 -0.295 -8.531 1.00 0.00 O ATOM 331 CB ILE A 25 -8.347 2.469 -7.995 1.00 0.00 C ATOM 332 CG1 ILE A 25 -7.208 3.387 -7.549 1.00 0.00 C ATOM 333 CG2 ILE A 25 -8.768 1.547 -6.860 1.00 0.00 C ATOM 334 CD1 ILE A 25 -7.656 4.505 -6.634 1.00 0.00 C ATOM 0 H ILE A 25 -9.265 0.060 -8.943 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.730 2.321 -10.057 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.201 3.089 -8.270 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.451 2.792 -7.038 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.733 3.818 -8.430 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.067 2.144 -5.998 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.607 0.931 -7.184 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.932 0.905 -6.584 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.796 5.116 -6.358 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.391 5.124 -7.149 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.104 4.082 -5.735 1.00 0.00 H new ATOM 346 N THR A 26 -5.506 1.561 -9.014 1.00 0.00 N ATOM 347 CA THR A 26 -4.215 0.949 -8.726 1.00 0.00 C ATOM 348 C THR A 26 -3.316 1.901 -7.946 1.00 0.00 C ATOM 349 O THR A 26 -3.247 3.093 -8.248 1.00 0.00 O ATOM 350 CB THR A 26 -3.493 0.525 -10.020 1.00 0.00 C ATOM 351 OG1 THR A 26 -4.417 -0.109 -10.911 1.00 0.00 O ATOM 352 CG2 THR A 26 -2.345 -0.424 -9.712 1.00 0.00 C ATOM 0 H THR A 26 -5.454 2.536 -9.310 1.00 0.00 H new ATOM 0 HA THR A 26 -4.413 0.064 -8.122 1.00 0.00 H new ATOM 0 HB THR A 26 -3.088 1.419 -10.494 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.951 -0.374 -11.731 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.850 -0.710 -10.640 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.629 0.072 -9.057 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.732 -1.315 -9.218 1.00 0.00 H new ATOM 360 N PHE A 27 -2.630 1.369 -6.940 1.00 0.00 N ATOM 361 CA PHE A 27 -1.735 2.172 -6.115 1.00 0.00 C ATOM 362 C PHE A 27 -0.276 1.859 -6.431 1.00 0.00 C ATOM 363 O PHE A 27 0.054 0.751 -6.856 1.00 0.00 O ATOM 364 CB PHE A 27 -2.013 1.922 -4.631 1.00 0.00 C ATOM 365 CG PHE A 27 -3.452 2.120 -4.249 1.00 0.00 C ATOM 366 CD1 PHE A 27 -4.385 1.120 -4.467 1.00 0.00 C ATOM 367 CD2 PHE A 27 -3.871 3.308 -3.671 1.00 0.00 C ATOM 368 CE1 PHE A 27 -5.710 1.299 -4.115 1.00 0.00 C ATOM 369 CE2 PHE A 27 -5.194 3.493 -3.318 1.00 0.00 C ATOM 370 CZ PHE A 27 -6.115 2.488 -3.541 1.00 0.00 C ATOM 0 H PHE A 27 -2.677 0.385 -6.676 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.919 3.223 -6.340 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.716 0.904 -4.380 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.392 2.591 -4.035 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.074 0.189 -4.917 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.156 4.098 -3.495 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.427 0.510 -4.289 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.508 4.423 -2.868 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.150 2.632 -3.267 1.00 0.00 H new ATOM 380 N ILE A 28 0.593 2.842 -6.221 1.00 0.00 N ATOM 381 CA ILE A 28 2.017 2.672 -6.483 1.00 0.00 C ATOM 382 C ILE A 28 2.829 2.785 -5.198 1.00 0.00 C ATOM 383 O ILE A 28 2.542 3.621 -4.342 1.00 0.00 O ATOM 384 CB ILE A 28 2.531 3.711 -7.496 1.00 0.00 C ATOM 385 CG1 ILE A 28 1.870 3.498 -8.859 1.00 0.00 C ATOM 386 CG2 ILE A 28 4.045 3.628 -7.617 1.00 0.00 C ATOM 387 CD1 ILE A 28 2.135 2.133 -9.453 1.00 0.00 C ATOM 0 H ILE A 28 0.336 3.765 -5.870 1.00 0.00 H new ATOM 0 HA ILE A 28 2.144 1.674 -6.903 1.00 0.00 H new ATOM 0 HB ILE A 28 2.268 4.706 -7.138 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.794 3.638 -8.758 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.227 4.261 -9.550 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.394 4.369 -8.337 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.499 3.824 -6.646 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.329 2.632 -7.955 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.636 2.053 -10.419 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.208 1.997 -9.587 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.752 1.364 -8.782 1.00 0.00 H new ATOM 399 N ALA A 29 3.846 1.939 -5.071 1.00 0.00 N ATOM 400 CA ALA A 29 4.704 1.947 -3.892 1.00 0.00 C ATOM 401 C ALA A 29 6.068 1.339 -4.201 1.00 0.00 C ATOM 402 O ALA A 29 6.178 0.145 -4.478 1.00 0.00 O ATOM 403 CB ALA A 29 4.036 1.197 -2.749 1.00 0.00 C ATOM 0 H ALA A 29 4.096 1.239 -5.770 1.00 0.00 H new ATOM 0 HA ALA A 29 4.858 2.983 -3.592 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.687 1.211 -1.875 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.089 1.677 -2.503 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.853 0.165 -3.049 1.00 0.00 H new ATOM 409 N LYS A 30 7.104 2.169 -4.152 1.00 0.00 N ATOM 410 CA LYS A 30 8.462 1.714 -4.426 1.00 0.00 C ATOM 411 C LYS A 30 9.265 1.589 -3.136 1.00 0.00 C ATOM 412 O LYS A 30 8.873 2.117 -2.095 1.00 0.00 O ATOM 413 CB LYS A 30 9.162 2.680 -5.384 1.00 0.00 C ATOM 414 CG LYS A 30 8.802 2.459 -6.843 1.00 0.00 C ATOM 415 CD LYS A 30 8.872 3.752 -7.637 1.00 0.00 C ATOM 416 CE LYS A 30 7.553 4.509 -7.586 1.00 0.00 C ATOM 417 NZ LYS A 30 7.656 5.847 -8.232 1.00 0.00 N ATOM 0 H LYS A 30 7.029 3.161 -3.925 1.00 0.00 H new ATOM 0 HA LYS A 30 8.402 0.730 -4.892 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.906 3.703 -5.106 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.241 2.578 -5.265 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.481 1.726 -7.279 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.797 2.043 -6.912 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.669 4.381 -7.241 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.126 3.531 -8.674 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.779 3.924 -8.083 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.243 4.630 -6.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.737 6.331 -8.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.376 6.415 -7.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.926 5.731 -9.229 1.00 0.00 H new ATOM 431 N VAL A 31 10.393 0.890 -3.211 1.00 0.00 N ATOM 432 CA VAL A 31 11.253 0.699 -2.049 1.00 0.00 C ATOM 433 C VAL A 31 12.710 0.527 -2.465 1.00 0.00 C ATOM 434 O VAL A 31 13.015 -0.198 -3.413 1.00 0.00 O ATOM 435 CB VAL A 31 10.818 -0.527 -1.224 1.00 0.00 C ATOM 436 CG1 VAL A 31 10.979 -1.802 -2.037 1.00 0.00 C ATOM 437 CG2 VAL A 31 11.613 -0.607 0.071 1.00 0.00 C ATOM 0 H VAL A 31 10.733 0.446 -4.064 1.00 0.00 H new ATOM 0 HA VAL A 31 11.157 1.594 -1.434 1.00 0.00 H new ATOM 0 HB VAL A 31 9.764 -0.417 -0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.667 -2.657 -1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.362 -1.742 -2.933 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.024 -1.921 -2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.293 -1.479 0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 31 12.675 -0.694 -0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.442 0.294 0.659 1.00 0.00 H new ATOM 447 N LYS A 32 13.607 1.197 -1.750 1.00 0.00 N ATOM 448 CA LYS A 32 15.033 1.118 -2.043 1.00 0.00 C ATOM 449 C LYS A 32 15.622 -0.192 -1.529 1.00 0.00 C ATOM 450 O LYS A 32 15.485 -0.526 -0.353 1.00 0.00 O ATOM 451 CB LYS A 32 15.770 2.302 -1.415 1.00 0.00 C ATOM 452 CG LYS A 32 17.137 2.561 -2.025 1.00 0.00 C ATOM 453 CD LYS A 32 17.032 3.375 -3.304 1.00 0.00 C ATOM 454 CE LYS A 32 18.142 3.022 -4.282 1.00 0.00 C ATOM 455 NZ LYS A 32 19.352 3.864 -4.074 1.00 0.00 N ATOM 0 H LYS A 32 13.371 1.801 -0.963 1.00 0.00 H new ATOM 0 HA LYS A 32 15.159 1.153 -3.125 1.00 0.00 H new ATOM 0 HB2 LYS A 32 15.158 3.198 -1.522 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.887 2.121 -0.346 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.763 3.090 -1.306 1.00 0.00 H new ATOM 0 HG3 LYS A 32 17.628 1.611 -2.237 1.00 0.00 H new ATOM 0 HD2 LYS A 32 16.064 3.197 -3.771 1.00 0.00 H new ATOM 0 HD3 LYS A 32 17.080 4.437 -3.065 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.407 1.971 -4.167 1.00 0.00 H new ATOM 0 HE3 LYS A 32 17.781 3.150 -5.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 20.086 3.593 -4.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 19.105 4.865 -4.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 19.711 3.723 -3.108 1.00 0.00 H new ATOM 469 N ALA A 33 16.280 -0.929 -2.418 1.00 0.00 N ATOM 470 CA ALA A 33 16.893 -2.200 -2.053 1.00 0.00 C ATOM 471 C ALA A 33 18.385 -2.201 -2.369 1.00 0.00 C ATOM 472 O ALA A 33 18.871 -1.349 -3.112 1.00 0.00 O ATOM 473 CB ALA A 33 16.198 -3.347 -2.773 1.00 0.00 C ATOM 0 H ALA A 33 16.402 -0.667 -3.396 1.00 0.00 H new ATOM 0 HA ALA A 33 16.776 -2.336 -0.978 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.666 -4.290 -2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.145 -3.367 -2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 33 16.285 -3.206 -3.850 1.00 0.00 H new ATOM 479 N GLU A 34 19.105 -3.162 -1.799 1.00 0.00 N ATOM 480 CA GLU A 34 20.542 -3.271 -2.019 1.00 0.00 C ATOM 481 C GLU A 34 20.924 -4.691 -2.427 1.00 0.00 C ATOM 482 O GLU A 34 21.728 -4.892 -3.337 1.00 0.00 O ATOM 483 CB GLU A 34 21.306 -2.869 -0.756 1.00 0.00 C ATOM 484 CG GLU A 34 21.030 -1.445 -0.305 1.00 0.00 C ATOM 485 CD GLU A 34 21.907 -1.020 0.857 1.00 0.00 C ATOM 486 OE1 GLU A 34 21.681 -1.512 1.982 1.00 0.00 O ATOM 487 OE2 GLU A 34 22.819 -0.195 0.640 1.00 0.00 O ATOM 0 H GLU A 34 18.717 -3.876 -1.182 1.00 0.00 H new ATOM 0 HA GLU A 34 20.812 -2.594 -2.829 1.00 0.00 H new ATOM 0 HB2 GLU A 34 21.044 -3.554 0.050 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.375 -2.983 -0.936 1.00 0.00 H new ATOM 0 HG2 GLU A 34 21.189 -0.766 -1.142 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.983 -1.356 -0.016 1.00 0.00 H new ATOM 494 N ASP A 35 20.342 -5.672 -1.746 1.00 0.00 N ATOM 495 CA ASP A 35 20.619 -7.074 -2.037 1.00 0.00 C ATOM 496 C ASP A 35 19.599 -7.637 -3.022 1.00 0.00 C ATOM 497 O ASP A 35 18.451 -7.194 -3.064 1.00 0.00 O ATOM 498 CB ASP A 35 20.610 -7.896 -0.748 1.00 0.00 C ATOM 499 CG ASP A 35 21.867 -7.695 0.077 1.00 0.00 C ATOM 500 OD1 ASP A 35 22.933 -8.198 -0.334 1.00 0.00 O ATOM 501 OD2 ASP A 35 21.784 -7.033 1.132 1.00 0.00 O ATOM 0 H ASP A 35 19.675 -5.522 -0.989 1.00 0.00 H new ATOM 0 HA ASP A 35 21.608 -7.136 -2.491 1.00 0.00 H new ATOM 0 HB2 ASP A 35 19.740 -7.621 -0.152 1.00 0.00 H new ATOM 0 HB3 ASP A 35 20.506 -8.953 -0.995 1.00 0.00 H new ATOM 506 N LEU A 36 20.026 -8.616 -3.812 1.00 0.00 N ATOM 507 CA LEU A 36 19.150 -9.240 -4.798 1.00 0.00 C ATOM 508 C LEU A 36 18.563 -10.541 -4.259 1.00 0.00 C ATOM 509 O LEU A 36 17.388 -10.841 -4.474 1.00 0.00 O ATOM 510 CB LEU A 36 19.918 -9.511 -6.093 1.00 0.00 C ATOM 511 CG LEU A 36 20.742 -8.346 -6.640 1.00 0.00 C ATOM 512 CD1 LEU A 36 21.503 -8.770 -7.887 1.00 0.00 C ATOM 513 CD2 LEU A 36 19.847 -7.153 -6.940 1.00 0.00 C ATOM 0 H LEU A 36 20.973 -8.995 -3.789 1.00 0.00 H new ATOM 0 HA LEU A 36 18.330 -8.552 -5.006 1.00 0.00 H new ATOM 0 HB2 LEU A 36 20.586 -10.356 -5.926 1.00 0.00 H new ATOM 0 HB3 LEU A 36 19.204 -9.816 -6.858 1.00 0.00 H new ATOM 0 HG LEU A 36 21.465 -8.050 -5.880 1.00 0.00 H new ATOM 0 HD11 LEU A 36 22.084 -7.928 -8.263 1.00 0.00 H new ATOM 0 HD12 LEU A 36 22.174 -9.593 -7.641 1.00 0.00 H new ATOM 0 HD13 LEU A 36 20.797 -9.093 -8.652 1.00 0.00 H new ATOM 0 HD21 LEU A 36 20.451 -6.333 -7.329 1.00 0.00 H new ATOM 0 HD22 LEU A 36 19.100 -7.436 -7.681 1.00 0.00 H new ATOM 0 HD23 LEU A 36 19.348 -6.834 -6.025 1.00 0.00 H new ATOM 525 N LEU A 37 19.388 -11.310 -3.556 1.00 0.00 N ATOM 526 CA LEU A 37 18.951 -12.578 -2.984 1.00 0.00 C ATOM 527 C LEU A 37 17.698 -12.389 -2.135 1.00 0.00 C ATOM 528 O LEU A 37 16.754 -13.174 -2.221 1.00 0.00 O ATOM 529 CB LEU A 37 20.068 -13.190 -2.137 1.00 0.00 C ATOM 530 CG LEU A 37 21.273 -13.733 -2.906 1.00 0.00 C ATOM 531 CD1 LEU A 37 20.856 -14.887 -3.805 1.00 0.00 C ATOM 532 CD2 LEU A 37 21.928 -12.628 -3.722 1.00 0.00 C ATOM 0 H LEU A 37 20.363 -11.077 -3.369 1.00 0.00 H new ATOM 0 HA LEU A 37 18.713 -13.256 -3.804 1.00 0.00 H new ATOM 0 HB2 LEU A 37 20.421 -12.434 -1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 37 19.645 -14.001 -1.545 1.00 0.00 H new ATOM 0 HG LEU A 37 22.002 -14.105 -2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 37 21.726 -15.261 -4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 37 20.434 -15.688 -3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 37 20.108 -14.541 -4.518 1.00 0.00 H new ATOM 0 HD21 LEU A 37 22.784 -13.033 -4.262 1.00 0.00 H new ATOM 0 HD22 LEU A 37 21.207 -12.225 -4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 37 22.263 -11.833 -3.055 1.00 0.00 H new ATOM 544 N ARG A 38 17.697 -11.342 -1.316 1.00 0.00 N ATOM 545 CA ARG A 38 16.560 -11.050 -0.452 1.00 0.00 C ATOM 546 C ARG A 38 15.585 -10.098 -1.139 1.00 0.00 C ATOM 547 O ARG A 38 15.986 -9.253 -1.940 1.00 0.00 O ATOM 548 CB ARG A 38 17.038 -10.442 0.868 1.00 0.00 C ATOM 549 CG ARG A 38 18.166 -11.221 1.525 1.00 0.00 C ATOM 550 CD ARG A 38 17.683 -12.564 2.049 1.00 0.00 C ATOM 551 NE ARG A 38 18.792 -13.432 2.435 1.00 0.00 N ATOM 552 CZ ARG A 38 19.412 -13.355 3.607 1.00 0.00 C ATOM 553 NH1 ARG A 38 19.033 -12.455 4.503 1.00 0.00 N ATOM 554 NH2 ARG A 38 20.413 -14.180 3.885 1.00 0.00 N ATOM 0 H ARG A 38 18.471 -10.682 -1.233 1.00 0.00 H new ATOM 0 HA ARG A 38 16.042 -11.987 -0.246 1.00 0.00 H new ATOM 0 HB2 ARG A 38 17.371 -9.420 0.688 1.00 0.00 H new ATOM 0 HB3 ARG A 38 16.196 -10.386 1.558 1.00 0.00 H new ATOM 0 HG2 ARG A 38 18.969 -11.378 0.805 1.00 0.00 H new ATOM 0 HG3 ARG A 38 18.583 -10.637 2.346 1.00 0.00 H new ATOM 0 HD2 ARG A 38 17.031 -12.405 2.908 1.00 0.00 H new ATOM 0 HD3 ARG A 38 17.085 -13.058 1.283 1.00 0.00 H new ATOM 0 HE ARG A 38 19.108 -14.136 1.768 1.00 0.00 H new ATOM 0 HH11 ARG A 38 18.263 -11.819 4.293 1.00 0.00 H new ATOM 0 HH12 ARG A 38 19.511 -12.398 5.402 1.00 0.00 H new ATOM 0 HH21 ARG A 38 20.707 -14.874 3.198 1.00 0.00 H new ATOM 0 HH22 ARG A 38 20.888 -14.120 4.785 1.00 0.00 H new ATOM 568 N LYS A 39 14.303 -10.241 -0.821 1.00 0.00 N ATOM 569 CA LYS A 39 13.270 -9.395 -1.407 1.00 0.00 C ATOM 570 C LYS A 39 12.225 -9.012 -0.364 1.00 0.00 C ATOM 571 O LYS A 39 11.637 -9.863 0.303 1.00 0.00 O ATOM 572 CB LYS A 39 12.597 -10.113 -2.578 1.00 0.00 C ATOM 573 CG LYS A 39 11.315 -9.446 -3.046 1.00 0.00 C ATOM 574 CD LYS A 39 10.977 -9.827 -4.477 1.00 0.00 C ATOM 575 CE LYS A 39 10.067 -11.045 -4.529 1.00 0.00 C ATOM 576 NZ LYS A 39 8.956 -10.950 -3.542 1.00 0.00 N ATOM 0 H LYS A 39 13.954 -10.935 -0.160 1.00 0.00 H new ATOM 0 HA LYS A 39 13.745 -8.484 -1.772 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.296 -10.163 -3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.376 -11.140 -2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.494 -9.733 -2.389 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.419 -8.364 -2.972 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.491 -8.987 -4.973 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.895 -10.034 -5.026 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.654 -11.147 -5.532 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.652 -11.944 -4.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.148 -11.515 -3.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.278 -11.312 -2.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.665 -9.957 -3.441 1.00 0.00 H new ATOM 590 N PRO A 40 11.986 -7.700 -0.219 1.00 0.00 N ATOM 591 CA PRO A 40 11.009 -7.174 0.740 1.00 0.00 C ATOM 592 C PRO A 40 9.573 -7.492 0.338 1.00 0.00 C ATOM 593 O PRO A 40 9.172 -7.267 -0.805 1.00 0.00 O ATOM 594 CB PRO A 40 11.253 -5.664 0.702 1.00 0.00 C ATOM 595 CG PRO A 40 11.839 -5.408 -0.643 1.00 0.00 C ATOM 596 CD PRO A 40 12.649 -6.629 -0.981 1.00 0.00 C ATOM 0 HA PRO A 40 11.131 -7.615 1.729 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.325 -5.110 0.841 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.932 -5.353 1.495 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.057 -5.241 -1.384 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.464 -4.515 -0.633 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.640 -6.833 -2.052 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.692 -6.513 -0.687 1.00 0.00 H new ATOM 604 N THR A 41 8.800 -8.016 1.284 1.00 0.00 N ATOM 605 CA THR A 41 7.409 -8.365 1.028 1.00 0.00 C ATOM 606 C THR A 41 6.471 -7.247 1.469 1.00 0.00 C ATOM 607 O THR A 41 6.694 -6.607 2.497 1.00 0.00 O ATOM 608 CB THR A 41 7.014 -9.666 1.752 1.00 0.00 C ATOM 609 OG1 THR A 41 7.896 -10.727 1.370 1.00 0.00 O ATOM 610 CG2 THR A 41 5.579 -10.052 1.427 1.00 0.00 C ATOM 0 H THR A 41 9.115 -8.208 2.235 1.00 0.00 H new ATOM 0 HA THR A 41 7.313 -8.513 -0.048 1.00 0.00 H new ATOM 0 HB THR A 41 7.094 -9.496 2.826 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.639 -11.550 1.836 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.323 -10.974 1.950 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.907 -9.255 1.746 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.478 -10.204 0.352 1.00 0.00 H new ATOM 618 N ILE A 42 5.423 -7.017 0.686 1.00 0.00 N ATOM 619 CA ILE A 42 4.451 -5.977 0.997 1.00 0.00 C ATOM 620 C ILE A 42 3.102 -6.580 1.377 1.00 0.00 C ATOM 621 O ILE A 42 2.610 -7.495 0.715 1.00 0.00 O ATOM 622 CB ILE A 42 4.255 -5.016 -0.190 1.00 0.00 C ATOM 623 CG1 ILE A 42 3.367 -3.839 0.220 1.00 0.00 C ATOM 624 CG2 ILE A 42 3.651 -5.754 -1.375 1.00 0.00 C ATOM 625 CD1 ILE A 42 3.673 -2.561 -0.530 1.00 0.00 C ATOM 0 H ILE A 42 5.225 -7.537 -0.169 1.00 0.00 H new ATOM 0 HA ILE A 42 4.848 -5.418 1.844 1.00 0.00 H new ATOM 0 HB ILE A 42 5.229 -4.626 -0.487 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.323 -4.107 0.055 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.485 -3.661 1.289 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.519 -5.061 -2.206 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.317 -6.562 -1.679 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.684 -6.169 -1.091 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.006 -1.770 -0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.707 -2.269 -0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.527 -2.722 -1.598 1.00 0.00 H new ATOM 637 N LYS A 43 2.508 -6.061 2.445 1.00 0.00 N ATOM 638 CA LYS A 43 1.214 -6.545 2.913 1.00 0.00 C ATOM 639 C LYS A 43 0.216 -5.398 3.035 1.00 0.00 C ATOM 640 O LYS A 43 0.403 -4.484 3.838 1.00 0.00 O ATOM 641 CB LYS A 43 1.367 -7.249 4.263 1.00 0.00 C ATOM 642 CG LYS A 43 0.135 -8.029 4.686 1.00 0.00 C ATOM 643 CD LYS A 43 0.195 -9.469 4.205 1.00 0.00 C ATOM 644 CE LYS A 43 0.902 -10.364 5.211 1.00 0.00 C ATOM 645 NZ LYS A 43 0.237 -10.334 6.543 1.00 0.00 N ATOM 0 H LYS A 43 2.902 -5.304 3.004 1.00 0.00 H new ATOM 0 HA LYS A 43 0.834 -7.257 2.181 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.218 -7.929 4.214 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.596 -6.506 5.027 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.047 -8.011 5.772 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.757 -7.547 4.285 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.816 -9.839 4.035 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.716 -9.513 3.248 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.920 -11.388 4.837 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.939 -10.045 5.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.403 -11.236 7.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.628 -9.554 7.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.785 -10.191 6.417 1.00 0.00 H new ATOM 659 N TRP A 44 -0.843 -5.455 2.237 1.00 0.00 N ATOM 660 CA TRP A 44 -1.872 -4.420 2.258 1.00 0.00 C ATOM 661 C TRP A 44 -2.966 -4.761 3.263 1.00 0.00 C ATOM 662 O TRP A 44 -3.625 -5.795 3.152 1.00 0.00 O ATOM 663 CB TRP A 44 -2.478 -4.247 0.864 1.00 0.00 C ATOM 664 CG TRP A 44 -1.456 -3.997 -0.202 1.00 0.00 C ATOM 665 CD1 TRP A 44 -0.670 -4.928 -0.820 1.00 0.00 C ATOM 666 CD2 TRP A 44 -1.106 -2.731 -0.774 1.00 0.00 C ATOM 667 NE1 TRP A 44 0.146 -4.317 -1.742 1.00 0.00 N ATOM 668 CE2 TRP A 44 -0.103 -2.970 -1.733 1.00 0.00 C ATOM 669 CE3 TRP A 44 -1.545 -1.420 -0.570 1.00 0.00 C ATOM 670 CZ2 TRP A 44 0.468 -1.946 -2.484 1.00 0.00 C ATOM 671 CZ3 TRP A 44 -0.977 -0.405 -1.316 1.00 0.00 C ATOM 672 CH2 TRP A 44 0.020 -0.672 -2.264 1.00 0.00 C ATOM 0 H TRP A 44 -1.013 -6.206 1.568 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.405 -3.483 2.562 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.046 -5.142 0.609 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.183 -3.416 0.883 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.687 -5.988 -0.614 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.827 -4.790 -2.337 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.314 -1.204 0.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.237 -2.150 -3.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.307 0.612 -1.166 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.443 0.144 -2.832 1.00 0.00 H new ATOM 683 N PHE A 45 -3.155 -3.885 4.245 1.00 0.00 N ATOM 684 CA PHE A 45 -4.170 -4.094 5.271 1.00 0.00 C ATOM 685 C PHE A 45 -5.301 -3.080 5.132 1.00 0.00 C ATOM 686 O PHE A 45 -5.095 -1.965 4.650 1.00 0.00 O ATOM 687 CB PHE A 45 -3.545 -3.991 6.664 1.00 0.00 C ATOM 688 CG PHE A 45 -2.743 -5.201 7.052 1.00 0.00 C ATOM 689 CD1 PHE A 45 -3.362 -6.312 7.602 1.00 0.00 C ATOM 690 CD2 PHE A 45 -1.370 -5.226 6.868 1.00 0.00 C ATOM 691 CE1 PHE A 45 -2.627 -7.426 7.960 1.00 0.00 C ATOM 692 CE2 PHE A 45 -0.630 -6.338 7.224 1.00 0.00 C ATOM 693 CZ PHE A 45 -1.259 -7.439 7.771 1.00 0.00 C ATOM 0 H PHE A 45 -2.619 -3.024 4.352 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.584 -5.093 5.139 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.902 -3.112 6.701 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.336 -3.839 7.398 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.431 -6.307 7.753 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.872 -4.367 6.442 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.122 -8.286 8.387 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.440 -6.346 7.074 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.682 -8.308 8.050 1.00 0.00 H new ATOM 703 N LYS A 46 -6.496 -3.473 5.558 1.00 0.00 N ATOM 704 CA LYS A 46 -7.662 -2.600 5.483 1.00 0.00 C ATOM 705 C LYS A 46 -8.376 -2.530 6.828 1.00 0.00 C ATOM 706 O LYS A 46 -8.241 -3.425 7.662 1.00 0.00 O ATOM 707 CB LYS A 46 -8.628 -3.097 4.405 1.00 0.00 C ATOM 708 CG LYS A 46 -9.847 -2.209 4.225 1.00 0.00 C ATOM 709 CD LYS A 46 -9.467 -0.846 3.670 1.00 0.00 C ATOM 710 CE LYS A 46 -10.668 0.085 3.608 1.00 0.00 C ATOM 711 NZ LYS A 46 -11.816 -0.537 2.893 1.00 0.00 N ATOM 0 H LYS A 46 -6.683 -4.392 5.959 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.320 -1.599 5.221 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.096 -3.166 3.456 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.957 -4.104 4.660 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.554 -2.693 3.551 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.353 -2.085 5.183 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.692 -0.401 4.294 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.044 -0.963 2.672 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.972 0.353 4.620 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.385 1.010 3.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.608 0.136 2.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.529 -0.785 1.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.114 -1.397 3.397 1.00 0.00 H new ATOM 725 N GLY A 47 -9.139 -1.460 7.033 1.00 0.00 N ATOM 726 CA GLY A 47 -9.864 -1.294 8.279 1.00 0.00 C ATOM 727 C GLY A 47 -8.948 -1.276 9.486 1.00 0.00 C ATOM 728 O GLY A 47 -7.987 -0.508 9.535 1.00 0.00 O ATOM 0 H GLY A 47 -9.268 -0.706 6.358 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.432 -0.364 8.244 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.585 -2.104 8.387 1.00 0.00 H new ATOM 732 N LYS A 48 -9.245 -2.124 10.465 1.00 0.00 N ATOM 733 CA LYS A 48 -8.441 -2.204 11.679 1.00 0.00 C ATOM 734 C LYS A 48 -7.465 -3.374 11.609 1.00 0.00 C ATOM 735 O LYS A 48 -6.254 -3.192 11.726 1.00 0.00 O ATOM 736 CB LYS A 48 -9.345 -2.352 12.905 1.00 0.00 C ATOM 737 CG LYS A 48 -8.772 -1.722 14.162 1.00 0.00 C ATOM 738 CD LYS A 48 -9.768 -1.761 15.309 1.00 0.00 C ATOM 739 CE LYS A 48 -9.577 -0.585 16.254 1.00 0.00 C ATOM 740 NZ LYS A 48 -10.404 0.587 15.855 1.00 0.00 N ATOM 0 H LYS A 48 -10.037 -2.766 10.441 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.868 -1.281 11.767 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.312 -1.898 12.690 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.524 -3.411 13.089 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.862 -2.248 14.451 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.492 -0.689 13.957 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.783 -1.748 14.911 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.653 -2.694 15.860 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.840 -0.887 17.268 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.525 -0.299 16.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.246 1.367 16.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.135 0.892 14.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.410 0.322 15.864 1.00 0.00 H new ATOM 754 N TRP A 49 -8.001 -4.574 11.418 1.00 0.00 N ATOM 755 CA TRP A 49 -7.177 -5.774 11.331 1.00 0.00 C ATOM 756 C TRP A 49 -7.560 -6.612 10.116 1.00 0.00 C ATOM 757 O TRP A 49 -7.503 -7.841 10.155 1.00 0.00 O ATOM 758 CB TRP A 49 -7.318 -6.608 12.606 1.00 0.00 C ATOM 759 CG TRP A 49 -7.396 -5.779 13.852 1.00 0.00 C ATOM 760 CD1 TRP A 49 -8.520 -5.470 14.562 1.00 0.00 C ATOM 761 CD2 TRP A 49 -6.304 -5.153 14.534 1.00 0.00 C ATOM 762 NE1 TRP A 49 -8.194 -4.689 15.644 1.00 0.00 N ATOM 763 CE2 TRP A 49 -6.840 -4.481 15.650 1.00 0.00 C ATOM 764 CE3 TRP A 49 -4.925 -5.095 14.312 1.00 0.00 C ATOM 765 CZ2 TRP A 49 -6.045 -3.761 16.538 1.00 0.00 C ATOM 766 CZ3 TRP A 49 -4.138 -4.380 15.194 1.00 0.00 C ATOM 767 CH2 TRP A 49 -4.698 -3.721 16.296 1.00 0.00 C ATOM 0 H TRP A 49 -9.002 -4.742 11.320 1.00 0.00 H new ATOM 0 HA TRP A 49 -6.138 -5.463 11.221 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.214 -7.224 12.531 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -6.469 -7.288 12.683 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -9.519 -5.792 14.310 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -8.853 -4.323 16.331 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.483 -5.600 13.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -6.476 -3.252 17.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -3.072 -4.328 15.031 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -4.055 -3.171 16.967 1.00 0.00 H new ATOM 778 N MET A 50 -7.949 -5.939 9.038 1.00 0.00 N ATOM 779 CA MET A 50 -8.340 -6.623 7.811 1.00 0.00 C ATOM 780 C MET A 50 -7.128 -6.877 6.920 1.00 0.00 C ATOM 781 O MET A 50 -6.318 -5.980 6.688 1.00 0.00 O ATOM 782 CB MET A 50 -9.381 -5.798 7.052 1.00 0.00 C ATOM 783 CG MET A 50 -10.356 -6.643 6.248 1.00 0.00 C ATOM 784 SD MET A 50 -9.599 -7.373 4.783 1.00 0.00 S ATOM 785 CE MET A 50 -10.393 -6.428 3.485 1.00 0.00 C ATOM 0 H MET A 50 -8.002 -4.922 8.989 1.00 0.00 H new ATOM 0 HA MET A 50 -8.776 -7.584 8.084 1.00 0.00 H new ATOM 0 HB2 MET A 50 -9.940 -5.190 7.763 1.00 0.00 H new ATOM 0 HB3 MET A 50 -8.868 -5.111 6.379 1.00 0.00 H new ATOM 0 HG2 MET A 50 -10.751 -7.437 6.882 1.00 0.00 H new ATOM 0 HG3 MET A 50 -11.202 -6.026 5.946 1.00 0.00 H new ATOM 0 HE1 MET A 50 -10.041 -6.776 2.514 1.00 0.00 H new ATOM 0 HE2 MET A 50 -11.473 -6.560 3.548 1.00 0.00 H new ATOM 0 HE3 MET A 50 -10.149 -5.372 3.602 1.00 0.00 H new ATOM 795 N ASP A 51 -7.010 -8.104 6.426 1.00 0.00 N ATOM 796 CA ASP A 51 -5.897 -8.476 5.560 1.00 0.00 C ATOM 797 C ASP A 51 -6.361 -8.633 4.116 1.00 0.00 C ATOM 798 O ASP A 51 -7.038 -9.602 3.772 1.00 0.00 O ATOM 799 CB ASP A 51 -5.256 -9.777 6.047 1.00 0.00 C ATOM 800 CG ASP A 51 -4.380 -10.422 4.991 1.00 0.00 C ATOM 801 OD1 ASP A 51 -3.724 -9.680 4.230 1.00 0.00 O ATOM 802 OD2 ASP A 51 -4.350 -11.668 4.926 1.00 0.00 O ATOM 0 H ASP A 51 -7.671 -8.858 6.610 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.156 -7.678 5.600 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.659 -9.574 6.936 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.039 -10.476 6.342 1.00 0.00 H new ATOM 807 N LEU A 52 -5.993 -7.673 3.274 1.00 0.00 N ATOM 808 CA LEU A 52 -6.372 -7.703 1.866 1.00 0.00 C ATOM 809 C LEU A 52 -5.648 -8.827 1.131 1.00 0.00 C ATOM 810 O LEU A 52 -6.148 -9.357 0.139 1.00 0.00 O ATOM 811 CB LEU A 52 -6.058 -6.361 1.204 1.00 0.00 C ATOM 812 CG LEU A 52 -6.528 -5.115 1.957 1.00 0.00 C ATOM 813 CD1 LEU A 52 -6.061 -3.854 1.246 1.00 0.00 C ATOM 814 CD2 LEU A 52 -8.042 -5.118 2.102 1.00 0.00 C ATOM 0 H LEU A 52 -5.432 -6.864 3.542 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.445 -7.887 1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.979 -6.291 1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.509 -6.353 0.212 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.088 -5.130 2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.405 -2.978 1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.972 -3.847 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.471 -3.833 0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.358 -4.224 2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.502 -5.128 1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.353 -6.004 2.656 1.00 0.00 H new ATOM 826 N ALA A 53 -4.468 -9.187 1.626 1.00 0.00 N ATOM 827 CA ALA A 53 -3.677 -10.250 1.019 1.00 0.00 C ATOM 828 C ALA A 53 -4.532 -11.482 0.744 1.00 0.00 C ATOM 829 O ALA A 53 -4.613 -11.953 -0.390 1.00 0.00 O ATOM 830 CB ALA A 53 -2.502 -10.610 1.916 1.00 0.00 C ATOM 0 H ALA A 53 -4.039 -8.758 2.446 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.294 -9.886 0.065 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.919 -11.405 1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.871 -9.733 2.058 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.873 -10.950 2.883 1.00 0.00 H new ATOM 836 N SER A 54 -5.169 -12.000 1.790 1.00 0.00 N ATOM 837 CA SER A 54 -6.015 -13.181 1.661 1.00 0.00 C ATOM 838 C SER A 54 -7.278 -12.860 0.867 1.00 0.00 C ATOM 839 O SER A 54 -7.891 -13.745 0.269 1.00 0.00 O ATOM 840 CB SER A 54 -6.391 -13.717 3.044 1.00 0.00 C ATOM 841 OG SER A 54 -7.617 -13.163 3.490 1.00 0.00 O ATOM 0 H SER A 54 -5.115 -11.621 2.735 1.00 0.00 H new ATOM 0 HA SER A 54 -5.453 -13.944 1.123 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.471 -14.803 3.007 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.601 -13.480 3.756 1.00 0.00 H new ATOM 0 HG SER A 54 -7.836 -13.523 4.375 1.00 0.00 H new ATOM 847 N LYS A 55 -7.662 -11.588 0.866 1.00 0.00 N ATOM 848 CA LYS A 55 -8.850 -11.148 0.146 1.00 0.00 C ATOM 849 C LYS A 55 -8.595 -11.118 -1.358 1.00 0.00 C ATOM 850 O LYS A 55 -9.499 -11.367 -2.155 1.00 0.00 O ATOM 851 CB LYS A 55 -9.280 -9.760 0.628 1.00 0.00 C ATOM 852 CG LYS A 55 -9.573 -9.698 2.117 1.00 0.00 C ATOM 853 CD LYS A 55 -10.930 -10.299 2.444 1.00 0.00 C ATOM 854 CE LYS A 55 -11.523 -9.685 3.702 1.00 0.00 C ATOM 855 NZ LYS A 55 -12.826 -10.310 4.064 1.00 0.00 N ATOM 0 H LYS A 55 -7.167 -10.843 1.357 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.650 -11.860 0.348 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.495 -9.042 0.390 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.169 -9.453 0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.796 -10.232 2.664 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.543 -8.661 2.452 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.610 -10.143 1.606 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.830 -11.376 2.576 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.822 -9.802 4.528 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.663 -8.614 3.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.197 -9.864 4.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.503 -10.176 3.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.688 -11.327 4.232 1.00 0.00 H new ATOM 869 N ALA A 56 -7.358 -10.813 -1.738 1.00 0.00 N ATOM 870 CA ALA A 56 -6.984 -10.755 -3.145 1.00 0.00 C ATOM 871 C ALA A 56 -7.286 -12.074 -3.849 1.00 0.00 C ATOM 872 O ALA A 56 -6.676 -13.100 -3.552 1.00 0.00 O ATOM 873 CB ALA A 56 -5.510 -10.405 -3.285 1.00 0.00 C ATOM 0 H ALA A 56 -6.598 -10.602 -1.091 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.578 -9.975 -3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.244 -10.365 -4.341 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.321 -9.434 -2.826 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.907 -11.165 -2.788 1.00 0.00 H new ATOM 879 N GLY A 57 -8.231 -12.038 -4.783 1.00 0.00 N ATOM 880 CA GLY A 57 -8.598 -13.237 -5.513 1.00 0.00 C ATOM 881 C GLY A 57 -9.151 -12.931 -6.891 1.00 0.00 C ATOM 882 O GLY A 57 -8.537 -13.266 -7.904 1.00 0.00 O ATOM 0 H GLY A 57 -8.749 -11.200 -5.047 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.724 -13.881 -5.611 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.341 -13.793 -4.942 1.00 0.00 H new ATOM 886 N LYS A 58 -10.315 -12.292 -6.931 1.00 0.00 N ATOM 887 CA LYS A 58 -10.952 -11.940 -8.194 1.00 0.00 C ATOM 888 C LYS A 58 -11.232 -10.442 -8.264 1.00 0.00 C ATOM 889 O LYS A 58 -10.728 -9.747 -9.147 1.00 0.00 O ATOM 890 CB LYS A 58 -12.257 -12.721 -8.366 1.00 0.00 C ATOM 891 CG LYS A 58 -12.889 -12.554 -9.737 1.00 0.00 C ATOM 892 CD LYS A 58 -13.727 -13.765 -10.115 1.00 0.00 C ATOM 893 CE LYS A 58 -15.101 -13.717 -9.465 1.00 0.00 C ATOM 894 NZ LYS A 58 -15.905 -12.561 -9.950 1.00 0.00 N ATOM 0 H LYS A 58 -10.837 -12.007 -6.102 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.269 -12.203 -9.002 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.063 -13.779 -8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.968 -12.397 -7.606 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.514 -11.661 -9.744 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.109 -12.403 -10.483 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -13.837 -13.809 -11.199 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.211 -14.675 -9.810 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.635 -14.644 -9.675 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.989 -13.652 -8.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.917 -12.759 -9.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.643 -11.708 -9.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.717 -12.408 -10.961 1.00 0.00 H new ATOM 908 N HIS A 59 -12.036 -9.950 -7.326 1.00 0.00 N ATOM 909 CA HIS A 59 -12.380 -8.533 -7.281 1.00 0.00 C ATOM 910 C HIS A 59 -11.151 -7.686 -6.968 1.00 0.00 C ATOM 911 O HIS A 59 -11.125 -6.485 -7.245 1.00 0.00 O ATOM 912 CB HIS A 59 -13.465 -8.284 -6.233 1.00 0.00 C ATOM 913 CG HIS A 59 -14.786 -8.900 -6.580 1.00 0.00 C ATOM 914 ND1 HIS A 59 -15.641 -8.366 -7.521 1.00 0.00 N ATOM 915 CD2 HIS A 59 -15.396 -10.012 -6.107 1.00 0.00 C ATOM 916 CE1 HIS A 59 -16.720 -9.123 -7.611 1.00 0.00 C ATOM 917 NE2 HIS A 59 -16.596 -10.128 -6.764 1.00 0.00 N ATOM 0 H HIS A 59 -12.461 -10.511 -6.588 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.759 -8.244 -8.262 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.130 -8.679 -5.274 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.597 -7.209 -6.106 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -15.011 -10.683 -5.353 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -17.561 -8.949 -8.266 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -17.281 -10.870 -6.621 1.00 0.00 H new ATOM 926 N LEU A 60 -10.135 -8.316 -6.390 1.00 0.00 N ATOM 927 CA LEU A 60 -8.902 -7.620 -6.039 1.00 0.00 C ATOM 928 C LEU A 60 -7.681 -8.398 -6.519 1.00 0.00 C ATOM 929 O LEU A 60 -7.681 -9.629 -6.523 1.00 0.00 O ATOM 930 CB LEU A 60 -8.824 -7.409 -4.526 1.00 0.00 C ATOM 931 CG LEU A 60 -7.465 -6.974 -3.978 1.00 0.00 C ATOM 932 CD1 LEU A 60 -7.365 -5.457 -3.940 1.00 0.00 C ATOM 933 CD2 LEU A 60 -7.237 -7.561 -2.592 1.00 0.00 C ATOM 0 H LEU A 60 -10.140 -9.308 -6.154 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.909 -6.649 -6.535 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.563 -6.659 -4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.111 -8.339 -4.034 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.688 -7.351 -4.643 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.391 -5.166 -3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.483 -5.059 -4.948 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.149 -5.057 -3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.265 -7.241 -2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.019 -7.214 -1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.264 -8.649 -2.649 1.00 0.00 H new ATOM 945 N GLN A 61 -6.642 -7.672 -6.920 1.00 0.00 N ATOM 946 CA GLN A 61 -5.415 -8.296 -7.400 1.00 0.00 C ATOM 947 C GLN A 61 -4.204 -7.419 -7.097 1.00 0.00 C ATOM 948 O GLN A 61 -4.164 -6.246 -7.472 1.00 0.00 O ATOM 949 CB GLN A 61 -5.505 -8.559 -8.904 1.00 0.00 C ATOM 950 CG GLN A 61 -6.573 -9.572 -9.281 1.00 0.00 C ATOM 951 CD GLN A 61 -6.128 -11.003 -9.050 1.00 0.00 C ATOM 952 OE1 GLN A 61 -5.288 -11.529 -9.780 1.00 0.00 O ATOM 953 NE2 GLN A 61 -6.691 -11.640 -8.030 1.00 0.00 N ATOM 0 H GLN A 61 -6.626 -6.652 -6.922 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.293 -9.246 -6.879 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.710 -7.619 -9.417 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.538 -8.913 -9.261 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.474 -9.377 -8.700 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.837 -9.443 -10.331 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.383 -11.164 -7.451 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.431 -12.605 -7.825 1.00 0.00 H new ATOM 962 N LEU A 62 -3.219 -7.994 -6.415 1.00 0.00 N ATOM 963 CA LEU A 62 -2.007 -7.265 -6.061 1.00 0.00 C ATOM 964 C LEU A 62 -0.937 -7.433 -7.135 1.00 0.00 C ATOM 965 O LEU A 62 -1.027 -8.320 -7.984 1.00 0.00 O ATOM 966 CB LEU A 62 -1.472 -7.749 -4.712 1.00 0.00 C ATOM 967 CG LEU A 62 -2.503 -7.883 -3.591 1.00 0.00 C ATOM 968 CD1 LEU A 62 -1.857 -8.454 -2.338 1.00 0.00 C ATOM 969 CD2 LEU A 62 -3.146 -6.536 -3.295 1.00 0.00 C ATOM 0 H LEU A 62 -3.237 -8.963 -6.096 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.258 -6.207 -5.987 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.996 -8.719 -4.859 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.695 -7.059 -4.383 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.282 -8.571 -3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.606 -8.542 -1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.444 -9.438 -2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.058 -7.791 -2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.877 -6.650 -2.495 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.378 -5.826 -2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.644 -6.166 -4.191 1.00 0.00 H new ATOM 981 N LYS A 63 0.078 -6.576 -7.091 1.00 0.00 N ATOM 982 CA LYS A 63 1.168 -6.630 -8.058 1.00 0.00 C ATOM 983 C LYS A 63 2.511 -6.382 -7.378 1.00 0.00 C ATOM 984 O LYS A 63 2.600 -5.608 -6.426 1.00 0.00 O ATOM 985 CB LYS A 63 0.947 -5.598 -9.166 1.00 0.00 C ATOM 986 CG LYS A 63 1.373 -6.082 -10.541 1.00 0.00 C ATOM 987 CD LYS A 63 0.221 -6.740 -11.282 1.00 0.00 C ATOM 988 CE LYS A 63 0.721 -7.727 -12.326 1.00 0.00 C ATOM 989 NZ LYS A 63 -0.401 -8.378 -13.057 1.00 0.00 N ATOM 0 H LYS A 63 0.168 -5.835 -6.395 1.00 0.00 H new ATOM 0 HA LYS A 63 1.181 -7.628 -8.497 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.109 -5.329 -9.196 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.500 -4.691 -8.922 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.748 -5.241 -11.124 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.194 -6.791 -10.440 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.423 -7.257 -10.570 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.387 -5.975 -11.765 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.365 -7.209 -13.037 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.330 -8.490 -11.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.018 -9.043 -13.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.002 -8.894 -12.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.968 -7.652 -13.540 1.00 0.00 H new ATOM 1003 N GLU A 64 3.552 -7.043 -7.874 1.00 0.00 N ATOM 1004 CA GLU A 64 4.890 -6.892 -7.314 1.00 0.00 C ATOM 1005 C GLU A 64 5.956 -7.154 -8.373 1.00 0.00 C ATOM 1006 O GLU A 64 5.934 -8.180 -9.054 1.00 0.00 O ATOM 1007 CB GLU A 64 5.083 -7.847 -6.134 1.00 0.00 C ATOM 1008 CG GLU A 64 6.541 -8.111 -5.797 1.00 0.00 C ATOM 1009 CD GLU A 64 7.155 -9.188 -6.670 1.00 0.00 C ATOM 1010 OE1 GLU A 64 6.777 -10.368 -6.513 1.00 0.00 O ATOM 1011 OE2 GLU A 64 8.015 -8.850 -7.511 1.00 0.00 O ATOM 0 H GLU A 64 3.495 -7.688 -8.662 1.00 0.00 H new ATOM 0 HA GLU A 64 4.996 -5.865 -6.963 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.585 -7.433 -5.257 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.594 -8.794 -6.360 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.109 -7.188 -5.911 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.621 -8.407 -4.751 1.00 0.00 H new ATOM 1018 N THR A 65 6.890 -6.217 -8.509 1.00 0.00 N ATOM 1019 CA THR A 65 7.964 -6.344 -9.486 1.00 0.00 C ATOM 1020 C THR A 65 9.296 -5.892 -8.900 1.00 0.00 C ATOM 1021 O THR A 65 9.340 -5.272 -7.837 1.00 0.00 O ATOM 1022 CB THR A 65 7.669 -5.523 -10.755 1.00 0.00 C ATOM 1023 OG1 THR A 65 8.660 -5.790 -11.753 1.00 0.00 O ATOM 1024 CG2 THR A 65 7.644 -4.034 -10.443 1.00 0.00 C ATOM 0 H THR A 65 6.924 -5.362 -7.954 1.00 0.00 H new ATOM 0 HA THR A 65 8.027 -7.399 -9.752 1.00 0.00 H new ATOM 0 HB THR A 65 6.688 -5.816 -11.130 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.464 -5.265 -12.557 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.434 -3.475 -11.355 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.868 -3.830 -9.705 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.612 -3.729 -10.045 1.00 0.00 H new ATOM 1032 N PHE A 66 10.382 -6.205 -9.600 1.00 0.00 N ATOM 1033 CA PHE A 66 11.717 -5.830 -9.148 1.00 0.00 C ATOM 1034 C PHE A 66 12.540 -5.258 -10.299 1.00 0.00 C ATOM 1035 O PHE A 66 12.376 -5.658 -11.451 1.00 0.00 O ATOM 1036 CB PHE A 66 12.433 -7.041 -8.547 1.00 0.00 C ATOM 1037 CG PHE A 66 13.901 -6.817 -8.318 1.00 0.00 C ATOM 1038 CD1 PHE A 66 14.337 -5.910 -7.366 1.00 0.00 C ATOM 1039 CD2 PHE A 66 14.845 -7.513 -9.056 1.00 0.00 C ATOM 1040 CE1 PHE A 66 15.686 -5.701 -7.153 1.00 0.00 C ATOM 1041 CE2 PHE A 66 16.196 -7.309 -8.848 1.00 0.00 C ATOM 1042 CZ PHE A 66 16.617 -6.401 -7.896 1.00 0.00 C ATOM 0 H PHE A 66 10.364 -6.717 -10.482 1.00 0.00 H new ATOM 0 HA PHE A 66 11.612 -5.061 -8.382 1.00 0.00 H new ATOM 0 HB2 PHE A 66 11.961 -7.299 -7.599 1.00 0.00 H new ATOM 0 HB3 PHE A 66 12.303 -7.896 -9.211 1.00 0.00 H new ATOM 0 HD1 PHE A 66 13.613 -5.359 -6.783 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.521 -8.223 -9.802 1.00 0.00 H new ATOM 0 HE1 PHE A 66 16.012 -4.992 -6.407 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.922 -7.859 -9.429 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.672 -6.239 -7.733 1.00 0.00 H new ATOM 1052 N GLU A 67 13.424 -4.319 -9.976 1.00 0.00 N ATOM 1053 CA GLU A 67 14.271 -3.690 -10.983 1.00 0.00 C ATOM 1054 C GLU A 67 15.739 -3.750 -10.573 1.00 0.00 C ATOM 1055 O GLU A 67 16.213 -2.919 -9.798 1.00 0.00 O ATOM 1056 CB GLU A 67 13.849 -2.235 -11.200 1.00 0.00 C ATOM 1057 CG GLU A 67 12.721 -2.072 -12.204 1.00 0.00 C ATOM 1058 CD GLU A 67 12.431 -0.618 -12.525 1.00 0.00 C ATOM 1059 OE1 GLU A 67 11.800 0.060 -11.688 1.00 0.00 O ATOM 1060 OE2 GLU A 67 12.836 -0.159 -13.613 1.00 0.00 O ATOM 0 H GLU A 67 13.572 -3.977 -9.026 1.00 0.00 H new ATOM 0 HA GLU A 67 14.150 -4.239 -11.917 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.539 -1.809 -10.246 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.712 -1.662 -11.539 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.979 -2.599 -13.123 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.819 -2.540 -11.810 1.00 0.00 H new ATOM 1067 N ARG A 68 16.454 -4.740 -11.098 1.00 0.00 N ATOM 1068 CA ARG A 68 17.868 -4.910 -10.786 1.00 0.00 C ATOM 1069 C ARG A 68 18.688 -3.739 -11.319 1.00 0.00 C ATOM 1070 O ARG A 68 19.784 -3.462 -10.832 1.00 0.00 O ATOM 1071 CB ARG A 68 18.388 -6.222 -11.377 1.00 0.00 C ATOM 1072 CG ARG A 68 17.677 -6.639 -12.654 1.00 0.00 C ATOM 1073 CD ARG A 68 16.584 -7.658 -12.375 1.00 0.00 C ATOM 1074 NE ARG A 68 16.401 -8.583 -13.491 1.00 0.00 N ATOM 1075 CZ ARG A 68 17.119 -9.689 -13.653 1.00 0.00 C ATOM 1076 NH1 ARG A 68 18.062 -10.006 -12.777 1.00 0.00 N ATOM 1077 NH2 ARG A 68 16.893 -10.481 -14.694 1.00 0.00 N ATOM 0 H ARG A 68 16.077 -5.436 -11.741 1.00 0.00 H new ATOM 0 HA ARG A 68 17.974 -4.940 -9.702 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.454 -6.121 -11.581 1.00 0.00 H new ATOM 0 HB3 ARG A 68 18.279 -7.013 -10.635 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.244 -5.761 -13.134 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.399 -7.061 -13.353 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.834 -8.220 -11.475 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.646 -7.139 -12.177 1.00 0.00 H new ATOM 0 HE ARG A 68 15.683 -8.368 -14.183 1.00 0.00 H new ATOM 0 HH11 ARG A 68 18.238 -9.400 -11.976 1.00 0.00 H new ATOM 0 HH12 ARG A 68 18.611 -10.856 -12.904 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.168 -10.240 -15.370 1.00 0.00 H new ATOM 0 HH22 ARG A 68 17.444 -11.330 -14.818 1.00 0.00 H new ATOM 1091 N HIS A 69 18.148 -3.055 -12.323 1.00 0.00 N ATOM 1092 CA HIS A 69 18.830 -1.913 -12.923 1.00 0.00 C ATOM 1093 C HIS A 69 19.219 -0.892 -11.858 1.00 0.00 C ATOM 1094 O HIS A 69 20.336 -0.374 -11.860 1.00 0.00 O ATOM 1095 CB HIS A 69 17.937 -1.254 -13.975 1.00 0.00 C ATOM 1096 CG HIS A 69 17.233 -2.235 -14.862 1.00 0.00 C ATOM 1097 ND1 HIS A 69 15.979 -2.736 -14.584 1.00 0.00 N ATOM 1098 CD2 HIS A 69 17.615 -2.806 -16.028 1.00 0.00 C ATOM 1099 CE1 HIS A 69 15.620 -3.574 -15.540 1.00 0.00 C ATOM 1100 NE2 HIS A 69 16.595 -3.634 -16.429 1.00 0.00 N ATOM 0 H HIS A 69 17.242 -3.271 -12.738 1.00 0.00 H new ATOM 0 HA HIS A 69 19.739 -2.275 -13.404 1.00 0.00 H new ATOM 0 HB2 HIS A 69 17.195 -0.633 -13.473 1.00 0.00 H new ATOM 0 HB3 HIS A 69 18.544 -0.590 -14.591 1.00 0.00 H new ATOM 0 HD2 HIS A 69 18.548 -2.641 -16.547 1.00 0.00 H new ATOM 0 HE1 HIS A 69 14.688 -4.118 -15.587 1.00 0.00 H new ATOM 0 HE2 HIS A 69 16.591 -4.203 -17.276 1.00 0.00 H new ATOM 1109 N SER A 70 18.290 -0.606 -10.951 1.00 0.00 N ATOM 1110 CA SER A 70 18.535 0.356 -9.883 1.00 0.00 C ATOM 1111 C SER A 70 18.403 -0.305 -8.515 1.00 0.00 C ATOM 1112 O SER A 70 18.528 0.351 -7.481 1.00 0.00 O ATOM 1113 CB SER A 70 17.559 1.529 -9.992 1.00 0.00 C ATOM 1114 OG SER A 70 17.955 2.429 -11.012 1.00 0.00 O ATOM 0 H SER A 70 17.361 -1.027 -10.935 1.00 0.00 H new ATOM 0 HA SER A 70 19.554 0.729 -9.990 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.557 1.154 -10.202 1.00 0.00 H new ATOM 0 HB3 SER A 70 17.509 2.054 -9.038 1.00 0.00 H new ATOM 0 HG SER A 70 17.314 3.169 -11.063 1.00 0.00 H new ATOM 1120 N ARG A 71 18.147 -1.610 -8.517 1.00 0.00 N ATOM 1121 CA ARG A 71 17.996 -2.361 -7.277 1.00 0.00 C ATOM 1122 C ARG A 71 16.817 -1.835 -6.463 1.00 0.00 C ATOM 1123 O ARG A 71 16.851 -1.832 -5.232 1.00 0.00 O ATOM 1124 CB ARG A 71 19.279 -2.280 -6.447 1.00 0.00 C ATOM 1125 CG ARG A 71 20.408 -3.143 -6.985 1.00 0.00 C ATOM 1126 CD ARG A 71 21.351 -3.583 -5.876 1.00 0.00 C ATOM 1127 NE ARG A 71 22.441 -2.632 -5.676 1.00 0.00 N ATOM 1128 CZ ARG A 71 23.582 -2.939 -5.068 1.00 0.00 C ATOM 1129 NH1 ARG A 71 23.780 -4.165 -4.604 1.00 0.00 N ATOM 1130 NH2 ARG A 71 24.526 -2.018 -4.924 1.00 0.00 N ATOM 0 H ARG A 71 18.040 -2.168 -9.364 1.00 0.00 H new ATOM 0 HA ARG A 71 17.803 -3.403 -7.534 1.00 0.00 H new ATOM 0 HB2 ARG A 71 19.612 -1.243 -6.409 1.00 0.00 H new ATOM 0 HB3 ARG A 71 19.059 -2.582 -5.423 1.00 0.00 H new ATOM 0 HG2 ARG A 71 19.992 -4.021 -7.480 1.00 0.00 H new ATOM 0 HG3 ARG A 71 20.965 -2.586 -7.738 1.00 0.00 H new ATOM 0 HD2 ARG A 71 20.792 -3.694 -4.947 1.00 0.00 H new ATOM 0 HD3 ARG A 71 21.764 -4.562 -6.118 1.00 0.00 H new ATOM 0 HE ARG A 71 22.320 -1.680 -6.022 1.00 0.00 H new ATOM 0 HH11 ARG A 71 23.056 -4.875 -4.713 1.00 0.00 H new ATOM 0 HH12 ARG A 71 24.657 -4.398 -4.138 1.00 0.00 H new ATOM 0 HH21 ARG A 71 24.376 -1.074 -5.280 1.00 0.00 H new ATOM 0 HH22 ARG A 71 25.402 -2.254 -4.457 1.00 0.00 H new ATOM 1144 N VAL A 72 15.776 -1.391 -7.159 1.00 0.00 N ATOM 1145 CA VAL A 72 14.586 -0.863 -6.502 1.00 0.00 C ATOM 1146 C VAL A 72 13.351 -1.680 -6.863 1.00 0.00 C ATOM 1147 O VAL A 72 13.108 -1.974 -8.034 1.00 0.00 O ATOM 1148 CB VAL A 72 14.342 0.610 -6.880 1.00 0.00 C ATOM 1149 CG1 VAL A 72 12.995 1.081 -6.353 1.00 0.00 C ATOM 1150 CG2 VAL A 72 15.467 1.488 -6.354 1.00 0.00 C ATOM 0 H VAL A 72 15.732 -1.386 -8.178 1.00 0.00 H new ATOM 0 HA VAL A 72 14.762 -0.930 -5.428 1.00 0.00 H new ATOM 0 HB VAL A 72 14.327 0.691 -7.967 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.840 2.124 -6.630 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.202 0.470 -6.784 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.976 0.987 -5.267 1.00 0.00 H new ATOM 0 HG21 VAL A 72 15.278 2.525 -6.630 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.516 1.405 -5.268 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.414 1.164 -6.786 1.00 0.00 H new ATOM 1160 N TYR A 73 12.573 -2.045 -5.850 1.00 0.00 N ATOM 1161 CA TYR A 73 11.363 -2.830 -6.059 1.00 0.00 C ATOM 1162 C TYR A 73 10.149 -1.924 -6.242 1.00 0.00 C ATOM 1163 O TYR A 73 10.137 -0.781 -5.782 1.00 0.00 O ATOM 1164 CB TYR A 73 11.133 -3.777 -4.880 1.00 0.00 C ATOM 1165 CG TYR A 73 12.090 -4.947 -4.847 1.00 0.00 C ATOM 1166 CD1 TYR A 73 13.367 -4.811 -4.315 1.00 0.00 C ATOM 1167 CD2 TYR A 73 11.718 -6.189 -5.347 1.00 0.00 C ATOM 1168 CE1 TYR A 73 14.245 -5.876 -4.284 1.00 0.00 C ATOM 1169 CE2 TYR A 73 12.589 -7.260 -5.318 1.00 0.00 C ATOM 1170 CZ TYR A 73 13.852 -7.099 -4.786 1.00 0.00 C ATOM 1171 OH TYR A 73 14.723 -8.164 -4.755 1.00 0.00 O ATOM 0 H TYR A 73 12.759 -1.809 -4.875 1.00 0.00 H new ATOM 0 HA TYR A 73 11.495 -3.417 -6.968 1.00 0.00 H new ATOM 0 HB2 TYR A 73 11.227 -3.216 -3.950 1.00 0.00 H new ATOM 0 HB3 TYR A 73 10.112 -4.155 -4.923 1.00 0.00 H new ATOM 0 HD1 TYR A 73 13.678 -3.855 -3.919 1.00 0.00 H new ATOM 0 HD2 TYR A 73 10.731 -6.319 -5.765 1.00 0.00 H new ATOM 0 HE1 TYR A 73 15.234 -5.752 -3.869 1.00 0.00 H new ATOM 0 HE2 TYR A 73 12.283 -8.219 -5.710 1.00 0.00 H new ATOM 0 HH TYR A 73 14.979 -8.350 -3.828 1.00 0.00 H new ATOM 1181 N THR A 74 9.127 -2.442 -6.917 1.00 0.00 N ATOM 1182 CA THR A 74 7.909 -1.681 -7.162 1.00 0.00 C ATOM 1183 C THR A 74 6.670 -2.541 -6.940 1.00 0.00 C ATOM 1184 O THR A 74 6.431 -3.504 -7.670 1.00 0.00 O ATOM 1185 CB THR A 74 7.878 -1.116 -8.594 1.00 0.00 C ATOM 1186 OG1 THR A 74 9.124 -0.479 -8.897 1.00 0.00 O ATOM 1187 CG2 THR A 74 6.740 -0.119 -8.758 1.00 0.00 C ATOM 0 H THR A 74 9.119 -3.386 -7.304 1.00 0.00 H new ATOM 0 HA THR A 74 7.905 -0.853 -6.453 1.00 0.00 H new ATOM 0 HB THR A 74 7.717 -1.944 -9.284 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.096 -0.124 -9.810 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.738 0.267 -9.778 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.790 -0.614 -8.556 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.875 0.706 -8.058 1.00 0.00 H new ATOM 1195 N PHE A 75 5.883 -2.187 -5.929 1.00 0.00 N ATOM 1196 CA PHE A 75 4.667 -2.928 -5.611 1.00 0.00 C ATOM 1197 C PHE A 75 3.427 -2.106 -5.947 1.00 0.00 C ATOM 1198 O PHE A 75 3.440 -0.879 -5.855 1.00 0.00 O ATOM 1199 CB PHE A 75 4.653 -3.314 -4.131 1.00 0.00 C ATOM 1200 CG PHE A 75 5.949 -3.901 -3.651 1.00 0.00 C ATOM 1201 CD1 PHE A 75 6.341 -5.169 -4.051 1.00 0.00 C ATOM 1202 CD2 PHE A 75 6.776 -3.186 -2.801 1.00 0.00 C ATOM 1203 CE1 PHE A 75 7.533 -5.712 -3.612 1.00 0.00 C ATOM 1204 CE2 PHE A 75 7.970 -3.723 -2.359 1.00 0.00 C ATOM 1205 CZ PHE A 75 8.349 -4.989 -2.764 1.00 0.00 C ATOM 0 H PHE A 75 6.065 -1.392 -5.316 1.00 0.00 H new ATOM 0 HA PHE A 75 4.654 -3.835 -6.215 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.421 -2.431 -3.536 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.852 -4.033 -3.959 1.00 0.00 H new ATOM 0 HD1 PHE A 75 5.707 -5.739 -4.714 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.484 -2.197 -2.480 1.00 0.00 H new ATOM 0 HE1 PHE A 75 7.827 -6.701 -3.932 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.607 -3.154 -1.698 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.281 -5.412 -2.418 1.00 0.00 H new ATOM 1215 N GLU A 76 2.357 -2.792 -6.336 1.00 0.00 N ATOM 1216 CA GLU A 76 1.108 -2.125 -6.686 1.00 0.00 C ATOM 1217 C GLU A 76 -0.094 -2.927 -6.195 1.00 0.00 C ATOM 1218 O GLU A 76 0.035 -4.094 -5.825 1.00 0.00 O ATOM 1219 CB GLU A 76 1.018 -1.926 -8.201 1.00 0.00 C ATOM 1220 CG GLU A 76 2.305 -1.413 -8.825 1.00 0.00 C ATOM 1221 CD GLU A 76 3.271 -2.530 -9.170 1.00 0.00 C ATOM 1222 OE1 GLU A 76 3.001 -3.271 -10.137 1.00 0.00 O ATOM 1223 OE2 GLU A 76 4.298 -2.661 -8.471 1.00 0.00 O ATOM 0 H GLU A 76 2.330 -3.808 -6.417 1.00 0.00 H new ATOM 0 HA GLU A 76 1.097 -1.151 -6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.750 -2.874 -8.668 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.213 -1.224 -8.420 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.068 -0.851 -9.728 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.788 -0.720 -8.136 1.00 0.00 H new ATOM 1230 N MET A 77 -1.261 -2.292 -6.196 1.00 0.00 N ATOM 1231 CA MET A 77 -2.486 -2.947 -5.751 1.00 0.00 C ATOM 1232 C MET A 77 -3.634 -2.665 -6.716 1.00 0.00 C ATOM 1233 O MET A 77 -4.232 -1.590 -6.685 1.00 0.00 O ATOM 1234 CB MET A 77 -2.860 -2.476 -4.344 1.00 0.00 C ATOM 1235 CG MET A 77 -4.141 -3.100 -3.814 1.00 0.00 C ATOM 1236 SD MET A 77 -4.310 -2.927 -2.028 1.00 0.00 S ATOM 1237 CE MET A 77 -4.749 -1.195 -1.895 1.00 0.00 C ATOM 0 H MET A 77 -1.385 -1.326 -6.499 1.00 0.00 H new ATOM 0 HA MET A 77 -2.307 -4.022 -5.731 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.042 -2.710 -3.662 1.00 0.00 H new ATOM 0 HB3 MET A 77 -2.969 -1.392 -4.350 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.997 -2.634 -4.303 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.161 -4.158 -4.076 1.00 0.00 H new ATOM 0 HE1 MET A 77 -4.870 -0.930 -0.845 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.960 -0.585 -2.334 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.684 -1.015 -2.425 1.00 0.00 H new ATOM 1247 N GLN A 78 -3.935 -3.638 -7.570 1.00 0.00 N ATOM 1248 CA GLN A 78 -5.011 -3.492 -8.544 1.00 0.00 C ATOM 1249 C GLN A 78 -6.348 -3.917 -7.945 1.00 0.00 C ATOM 1250 O GLN A 78 -6.578 -5.100 -7.692 1.00 0.00 O ATOM 1251 CB GLN A 78 -4.711 -4.322 -9.793 1.00 0.00 C ATOM 1252 CG GLN A 78 -5.112 -3.636 -11.090 1.00 0.00 C ATOM 1253 CD GLN A 78 -4.892 -4.513 -12.306 1.00 0.00 C ATOM 1254 OE1 GLN A 78 -5.817 -4.762 -13.081 1.00 0.00 O ATOM 1255 NE2 GLN A 78 -3.664 -4.987 -12.481 1.00 0.00 N ATOM 0 H GLN A 78 -3.450 -4.535 -7.607 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.076 -2.440 -8.822 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.644 -4.544 -9.824 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.233 -5.276 -9.719 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.163 -3.352 -11.037 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.539 -2.716 -11.202 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -2.928 -4.755 -11.814 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.457 -5.583 -13.282 1.00 0.00 H new ATOM 1264 N ILE A 79 -7.225 -2.945 -7.721 1.00 0.00 N ATOM 1265 CA ILE A 79 -8.540 -3.218 -7.154 1.00 0.00 C ATOM 1266 C ILE A 79 -9.622 -3.175 -8.227 1.00 0.00 C ATOM 1267 O ILE A 79 -9.921 -2.116 -8.779 1.00 0.00 O ATOM 1268 CB ILE A 79 -8.894 -2.212 -6.043 1.00 0.00 C ATOM 1269 CG1 ILE A 79 -7.820 -2.224 -4.952 1.00 0.00 C ATOM 1270 CG2 ILE A 79 -10.259 -2.532 -5.453 1.00 0.00 C ATOM 1271 CD1 ILE A 79 -8.343 -1.839 -3.586 1.00 0.00 C ATOM 0 H ILE A 79 -7.049 -1.961 -7.923 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.497 -4.219 -6.726 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.933 -1.213 -6.478 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.381 -3.220 -4.897 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.021 -1.538 -5.233 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.494 -1.812 -4.669 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.016 -2.477 -6.236 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -10.246 -3.537 -5.031 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.528 -1.869 -2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.756 -0.831 -3.625 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.122 -2.539 -3.284 1.00 0.00 H new ATOM 1283 N ILE A 80 -10.207 -4.333 -8.516 1.00 0.00 N ATOM 1284 CA ILE A 80 -11.259 -4.427 -9.521 1.00 0.00 C ATOM 1285 C ILE A 80 -12.640 -4.387 -8.876 1.00 0.00 C ATOM 1286 O ILE A 80 -12.834 -4.885 -7.767 1.00 0.00 O ATOM 1287 CB ILE A 80 -11.129 -5.716 -10.353 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -9.658 -6.006 -10.659 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -11.931 -5.599 -11.640 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -8.999 -6.919 -9.650 1.00 0.00 C ATOM 0 H ILE A 80 -9.970 -5.219 -8.069 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.144 -3.567 -10.180 1.00 0.00 H new ATOM 0 HB ILE A 80 -11.530 -6.547 -9.773 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.583 -6.457 -11.648 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.111 -5.064 -10.696 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.829 -6.518 -12.217 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -12.982 -5.436 -11.400 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -11.558 -4.759 -12.226 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -7.958 -7.080 -9.931 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.042 -6.460 -8.662 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.522 -7.875 -9.629 1.00 0.00 H new ATOM 1302 N LYS A 81 -13.599 -3.794 -9.579 1.00 0.00 N ATOM 1303 CA LYS A 81 -14.964 -3.692 -9.079 1.00 0.00 C ATOM 1304 C LYS A 81 -14.980 -3.186 -7.640 1.00 0.00 C ATOM 1305 O LYS A 81 -15.641 -3.762 -6.777 1.00 0.00 O ATOM 1306 CB LYS A 81 -15.662 -5.051 -9.160 1.00 0.00 C ATOM 1307 CG LYS A 81 -15.637 -5.666 -10.549 1.00 0.00 C ATOM 1308 CD LYS A 81 -16.849 -6.549 -10.790 1.00 0.00 C ATOM 1309 CE LYS A 81 -16.659 -7.436 -12.011 1.00 0.00 C ATOM 1310 NZ LYS A 81 -17.132 -6.772 -13.258 1.00 0.00 N ATOM 0 H LYS A 81 -13.455 -3.376 -10.498 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.500 -2.977 -9.703 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.186 -5.737 -8.459 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -16.698 -4.938 -8.841 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.608 -4.874 -11.298 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.727 -6.254 -10.671 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -17.028 -7.170 -9.912 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -17.733 -5.926 -10.926 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.604 -7.692 -12.113 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -17.202 -8.371 -11.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -16.985 -7.409 -14.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -18.144 -6.550 -13.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.597 -5.893 -13.408 1.00 0.00 H new ATOM 1324 N ALA A 82 -14.248 -2.106 -7.389 1.00 0.00 N ATOM 1325 CA ALA A 82 -14.180 -1.521 -6.056 1.00 0.00 C ATOM 1326 C ALA A 82 -15.576 -1.234 -5.511 1.00 0.00 C ATOM 1327 O ALA A 82 -16.273 -0.343 -5.997 1.00 0.00 O ATOM 1328 CB ALA A 82 -13.350 -0.246 -6.080 1.00 0.00 C ATOM 0 H ALA A 82 -13.693 -1.618 -8.092 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.700 -2.242 -5.394 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.308 0.180 -5.077 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.340 -0.476 -6.419 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.807 0.473 -6.761 1.00 0.00 H new ATOM 1334 N LYS A 83 -15.979 -1.996 -4.500 1.00 0.00 N ATOM 1335 CA LYS A 83 -17.291 -1.825 -3.888 1.00 0.00 C ATOM 1336 C LYS A 83 -17.234 -0.806 -2.755 1.00 0.00 C ATOM 1337 O LYS A 83 -16.153 -0.419 -2.309 1.00 0.00 O ATOM 1338 CB LYS A 83 -17.808 -3.164 -3.358 1.00 0.00 C ATOM 1339 CG LYS A 83 -17.443 -4.348 -4.237 1.00 0.00 C ATOM 1340 CD LYS A 83 -17.624 -5.665 -3.501 1.00 0.00 C ATOM 1341 CE LYS A 83 -16.902 -6.802 -4.208 1.00 0.00 C ATOM 1342 NZ LYS A 83 -17.309 -8.133 -3.678 1.00 0.00 N ATOM 0 H LYS A 83 -15.415 -2.739 -4.087 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.975 -1.455 -4.652 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -17.408 -3.328 -2.357 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -18.893 -3.113 -3.263 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -18.064 -4.342 -5.133 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.408 -4.253 -4.566 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -17.246 -5.569 -2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -18.686 -5.898 -3.426 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -17.112 -6.757 -5.277 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.826 -6.678 -4.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -16.639 -8.857 -4.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -17.309 -8.107 -2.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -18.264 -8.365 -4.019 1.00 0.00 H new ATOM 1356 N ASP A 84 -18.403 -0.376 -2.292 1.00 0.00 N ATOM 1357 CA ASP A 84 -18.485 0.596 -1.209 1.00 0.00 C ATOM 1358 C ASP A 84 -17.746 0.096 0.028 1.00 0.00 C ATOM 1359 O ASP A 84 -17.378 0.880 0.903 1.00 0.00 O ATOM 1360 CB ASP A 84 -19.947 0.884 -0.863 1.00 0.00 C ATOM 1361 CG ASP A 84 -20.513 -0.111 0.131 1.00 0.00 C ATOM 1362 OD1 ASP A 84 -20.636 -1.302 -0.225 1.00 0.00 O ATOM 1363 OD2 ASP A 84 -20.833 0.301 1.265 1.00 0.00 O ATOM 0 H ASP A 84 -19.306 -0.686 -2.650 1.00 0.00 H new ATOM 0 HA ASP A 84 -18.011 1.518 -1.545 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -20.029 1.890 -0.452 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -20.544 0.862 -1.775 1.00 0.00 H new ATOM 1368 N ASN A 85 -17.533 -1.214 0.095 1.00 0.00 N ATOM 1369 CA ASN A 85 -16.839 -1.819 1.226 1.00 0.00 C ATOM 1370 C ASN A 85 -15.336 -1.571 1.138 1.00 0.00 C ATOM 1371 O ASN A 85 -14.621 -1.666 2.136 1.00 0.00 O ATOM 1372 CB ASN A 85 -17.116 -3.323 1.275 1.00 0.00 C ATOM 1373 CG ASN A 85 -16.487 -3.987 2.485 1.00 0.00 C ATOM 1374 OD1 ASN A 85 -15.454 -4.647 2.377 1.00 0.00 O ATOM 1375 ND2 ASN A 85 -17.110 -3.815 3.645 1.00 0.00 N ATOM 0 H ASN A 85 -17.831 -1.877 -0.621 1.00 0.00 H new ATOM 0 HA ASN A 85 -17.213 -1.357 2.139 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -18.193 -3.491 1.290 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -16.733 -3.790 0.368 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -16.734 -4.238 4.493 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -17.964 -3.259 3.688 1.00 0.00 H new ATOM 1382 N PHE A 86 -14.864 -1.251 -0.062 1.00 0.00 N ATOM 1383 CA PHE A 86 -13.446 -0.989 -0.281 1.00 0.00 C ATOM 1384 C PHE A 86 -13.060 0.388 0.251 1.00 0.00 C ATOM 1385 O PHE A 86 -11.878 0.699 0.399 1.00 0.00 O ATOM 1386 CB PHE A 86 -13.112 -1.085 -1.771 1.00 0.00 C ATOM 1387 CG PHE A 86 -13.158 -2.488 -2.306 1.00 0.00 C ATOM 1388 CD1 PHE A 86 -14.327 -3.228 -2.246 1.00 0.00 C ATOM 1389 CD2 PHE A 86 -12.032 -3.065 -2.870 1.00 0.00 C ATOM 1390 CE1 PHE A 86 -14.372 -4.519 -2.738 1.00 0.00 C ATOM 1391 CE2 PHE A 86 -12.070 -4.356 -3.363 1.00 0.00 C ATOM 1392 CZ PHE A 86 -13.243 -5.083 -3.298 1.00 0.00 C ATOM 0 H PHE A 86 -15.442 -1.167 -0.898 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.874 -1.742 0.261 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -13.813 -0.467 -2.333 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -12.117 -0.673 -1.940 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -15.213 -2.792 -1.810 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -11.114 -2.500 -2.925 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -15.290 -5.086 -2.684 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -11.185 -4.795 -3.798 1.00 0.00 H new ATOM 0 HZ PHE A 86 -13.277 -6.091 -3.685 1.00 0.00 H new ATOM 1402 N ALA A 87 -14.065 1.210 0.535 1.00 0.00 N ATOM 1403 CA ALA A 87 -13.831 2.553 1.051 1.00 0.00 C ATOM 1404 C ALA A 87 -13.606 2.530 2.559 1.00 0.00 C ATOM 1405 O ALA A 87 -14.510 2.200 3.326 1.00 0.00 O ATOM 1406 CB ALA A 87 -15.000 3.463 0.703 1.00 0.00 C ATOM 0 H ALA A 87 -15.049 0.969 0.416 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.928 2.944 0.582 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -14.812 4.463 1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -15.113 3.513 -0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -15.914 3.066 1.145 1.00 0.00 H new ATOM 1412 N GLY A 88 -12.395 2.883 2.977 1.00 0.00 N ATOM 1413 CA GLY A 88 -12.073 2.895 4.393 1.00 0.00 C ATOM 1414 C GLY A 88 -10.651 3.346 4.660 1.00 0.00 C ATOM 1415 O GLY A 88 -10.137 4.235 3.984 1.00 0.00 O ATOM 0 H GLY A 88 -11.631 3.161 2.361 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.765 3.557 4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.217 1.896 4.804 1.00 0.00 H new ATOM 1419 N ASN A 89 -10.014 2.731 5.651 1.00 0.00 N ATOM 1420 CA ASN A 89 -8.642 3.075 6.008 1.00 0.00 C ATOM 1421 C ASN A 89 -7.683 1.950 5.632 1.00 0.00 C ATOM 1422 O ASN A 89 -7.786 0.835 6.144 1.00 0.00 O ATOM 1423 CB ASN A 89 -8.541 3.366 7.507 1.00 0.00 C ATOM 1424 CG ASN A 89 -7.116 3.639 7.948 1.00 0.00 C ATOM 1425 OD1 ASN A 89 -6.602 2.991 8.860 1.00 0.00 O ATOM 1426 ND2 ASN A 89 -6.471 4.603 7.302 1.00 0.00 N ATOM 0 H ASN A 89 -10.426 1.992 6.221 1.00 0.00 H new ATOM 0 HA ASN A 89 -8.362 3.969 5.451 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.165 4.226 7.750 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -8.935 2.518 8.066 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -5.510 4.832 7.556 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.936 5.114 6.552 1.00 0.00 H new ATOM 1433 N TYR A 90 -6.751 2.251 4.734 1.00 0.00 N ATOM 1434 CA TYR A 90 -5.774 1.265 4.287 1.00 0.00 C ATOM 1435 C TYR A 90 -4.454 1.429 5.035 1.00 0.00 C ATOM 1436 O TYR A 90 -4.150 2.503 5.553 1.00 0.00 O ATOM 1437 CB TYR A 90 -5.540 1.395 2.781 1.00 0.00 C ATOM 1438 CG TYR A 90 -6.656 0.816 1.942 1.00 0.00 C ATOM 1439 CD1 TYR A 90 -7.919 1.396 1.935 1.00 0.00 C ATOM 1440 CD2 TYR A 90 -6.448 -0.311 1.157 1.00 0.00 C ATOM 1441 CE1 TYR A 90 -8.942 0.869 1.170 1.00 0.00 C ATOM 1442 CE2 TYR A 90 -7.465 -0.844 0.388 1.00 0.00 C ATOM 1443 CZ TYR A 90 -8.710 -0.250 0.399 1.00 0.00 C ATOM 1444 OH TYR A 90 -9.727 -0.777 -0.365 1.00 0.00 O ATOM 0 H TYR A 90 -6.652 3.169 4.302 1.00 0.00 H new ATOM 0 HA TYR A 90 -6.171 0.273 4.502 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -5.418 2.449 2.531 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.606 0.896 2.523 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.104 2.273 2.537 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.475 -0.779 1.147 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -9.918 1.331 1.176 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.286 -1.720 -0.218 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.584 -0.404 -0.071 1.00 0.00 H new ATOM 1454 N ARG A 91 -3.673 0.355 5.085 1.00 0.00 N ATOM 1455 CA ARG A 91 -2.386 0.377 5.768 1.00 0.00 C ATOM 1456 C ARG A 91 -1.356 -0.461 5.016 1.00 0.00 C ATOM 1457 O ARG A 91 -1.549 -1.659 4.806 1.00 0.00 O ATOM 1458 CB ARG A 91 -2.535 -0.143 7.199 1.00 0.00 C ATOM 1459 CG ARG A 91 -1.262 -0.036 8.022 1.00 0.00 C ATOM 1460 CD ARG A 91 -1.462 -0.574 9.430 1.00 0.00 C ATOM 1461 NE ARG A 91 -1.288 -2.023 9.493 1.00 0.00 N ATOM 1462 CZ ARG A 91 -1.379 -2.726 10.616 1.00 0.00 C ATOM 1463 NH1 ARG A 91 -1.641 -2.117 11.764 1.00 0.00 N ATOM 1464 NH2 ARG A 91 -1.208 -4.042 10.591 1.00 0.00 N ATOM 0 H ARG A 91 -3.910 -0.542 4.660 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.037 1.409 5.798 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.328 0.414 7.698 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.850 -1.186 7.166 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.462 -0.589 7.530 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.946 1.006 8.071 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.753 -0.094 10.105 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -2.461 -0.314 9.779 1.00 0.00 H new ATOM 0 HE ARG A 91 -1.085 -2.522 8.627 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -1.773 -1.106 11.786 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.710 -2.660 12.625 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.007 -4.513 9.709 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -1.278 -4.582 11.454 1.00 0.00 H new ATOM 1478 N CYS A 92 -0.263 0.177 4.613 1.00 0.00 N ATOM 1479 CA CYS A 92 0.797 -0.509 3.883 1.00 0.00 C ATOM 1480 C CYS A 92 1.972 -0.828 4.802 1.00 0.00 C ATOM 1481 O CYS A 92 2.423 0.025 5.567 1.00 0.00 O ATOM 1482 CB CYS A 92 1.271 0.346 2.707 1.00 0.00 C ATOM 1483 SG CYS A 92 1.896 -0.608 1.304 1.00 0.00 S ATOM 0 H CYS A 92 -0.088 1.168 4.779 1.00 0.00 H new ATOM 0 HA CYS A 92 0.393 -1.447 3.501 1.00 0.00 H new ATOM 0 HB2 CYS A 92 0.444 0.970 2.369 1.00 0.00 H new ATOM 0 HB3 CYS A 92 2.056 1.018 3.054 1.00 0.00 H new ATOM 0 HG CYS A 92 0.992 -0.649 0.370 1.00 0.00 H new ATOM 1489 N GLU A 93 2.462 -2.061 4.721 1.00 0.00 N ATOM 1490 CA GLU A 93 3.583 -2.492 5.548 1.00 0.00 C ATOM 1491 C GLU A 93 4.612 -3.253 4.716 1.00 0.00 C ATOM 1492 O GLU A 93 4.313 -4.305 4.150 1.00 0.00 O ATOM 1493 CB GLU A 93 3.089 -3.372 6.698 1.00 0.00 C ATOM 1494 CG GLU A 93 2.633 -2.584 7.915 1.00 0.00 C ATOM 1495 CD GLU A 93 2.733 -3.384 9.199 1.00 0.00 C ATOM 1496 OE1 GLU A 93 2.532 -4.616 9.148 1.00 0.00 O ATOM 1497 OE2 GLU A 93 3.012 -2.779 10.254 1.00 0.00 O ATOM 0 H GLU A 93 2.101 -2.778 4.092 1.00 0.00 H new ATOM 0 HA GLU A 93 4.060 -1.603 5.960 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.262 -3.988 6.344 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.889 -4.051 6.994 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.237 -1.681 8.006 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.601 -2.264 7.770 1.00 0.00 H new ATOM 1504 N VAL A 94 5.825 -2.713 4.647 1.00 0.00 N ATOM 1505 CA VAL A 94 6.898 -3.341 3.885 1.00 0.00 C ATOM 1506 C VAL A 94 8.141 -3.537 4.747 1.00 0.00 C ATOM 1507 O VAL A 94 8.874 -2.588 5.025 1.00 0.00 O ATOM 1508 CB VAL A 94 7.272 -2.503 2.648 1.00 0.00 C ATOM 1509 CG1 VAL A 94 8.417 -3.155 1.888 1.00 0.00 C ATOM 1510 CG2 VAL A 94 6.061 -2.315 1.747 1.00 0.00 C ATOM 0 H VAL A 94 6.089 -1.843 5.109 1.00 0.00 H new ATOM 0 HA VAL A 94 6.528 -4.313 3.558 1.00 0.00 H new ATOM 0 HB VAL A 94 7.603 -1.520 2.982 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.668 -2.549 1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.288 -3.233 2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 94 8.117 -4.151 1.563 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.343 -1.721 0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.697 -3.289 1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.274 -1.801 2.298 1.00 0.00 H new ATOM 1520 N THR A 95 8.372 -4.777 5.168 1.00 0.00 N ATOM 1521 CA THR A 95 9.525 -5.099 5.998 1.00 0.00 C ATOM 1522 C THR A 95 10.658 -5.685 5.163 1.00 0.00 C ATOM 1523 O THR A 95 10.488 -6.706 4.497 1.00 0.00 O ATOM 1524 CB THR A 95 9.155 -6.098 7.111 1.00 0.00 C ATOM 1525 OG1 THR A 95 7.974 -5.657 7.792 1.00 0.00 O ATOM 1526 CG2 THR A 95 10.295 -6.246 8.107 1.00 0.00 C ATOM 0 H THR A 95 7.775 -5.574 4.947 1.00 0.00 H new ATOM 0 HA THR A 95 9.857 -4.165 6.452 1.00 0.00 H new ATOM 0 HB THR A 95 8.968 -7.068 6.651 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.036 -4.694 7.964 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.010 -6.956 8.883 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.184 -6.609 7.591 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.509 -5.279 8.561 1.00 0.00 H new ATOM 1534 N TYR A 96 11.815 -5.033 5.203 1.00 0.00 N ATOM 1535 CA TYR A 96 12.976 -5.488 4.448 1.00 0.00 C ATOM 1536 C TYR A 96 14.107 -5.901 5.385 1.00 0.00 C ATOM 1537 O TYR A 96 14.371 -5.239 6.389 1.00 0.00 O ATOM 1538 CB TYR A 96 13.458 -4.388 3.501 1.00 0.00 C ATOM 1539 CG TYR A 96 14.576 -4.827 2.582 1.00 0.00 C ATOM 1540 CD1 TYR A 96 14.580 -6.097 2.019 1.00 0.00 C ATOM 1541 CD2 TYR A 96 15.626 -3.971 2.276 1.00 0.00 C ATOM 1542 CE1 TYR A 96 15.600 -6.502 1.180 1.00 0.00 C ATOM 1543 CE2 TYR A 96 16.649 -4.367 1.436 1.00 0.00 C ATOM 1544 CZ TYR A 96 16.632 -5.634 0.891 1.00 0.00 C ATOM 1545 OH TYR A 96 17.648 -6.033 0.054 1.00 0.00 O ATOM 0 H TYR A 96 11.973 -4.187 5.751 1.00 0.00 H new ATOM 0 HA TYR A 96 12.679 -6.357 3.862 1.00 0.00 H new ATOM 0 HB2 TYR A 96 12.617 -4.045 2.898 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.797 -3.536 4.090 1.00 0.00 H new ATOM 0 HD1 TYR A 96 13.772 -6.779 2.241 1.00 0.00 H new ATOM 0 HD2 TYR A 96 15.643 -2.979 2.702 1.00 0.00 H new ATOM 0 HE1 TYR A 96 15.589 -7.494 0.752 1.00 0.00 H new ATOM 0 HE2 TYR A 96 17.457 -3.688 1.207 1.00 0.00 H new ATOM 0 HH TYR A 96 17.584 -5.546 -0.794 1.00 0.00 H new ATOM 1555 N LYS A 97 14.774 -7.000 5.048 1.00 0.00 N ATOM 1556 CA LYS A 97 15.879 -7.502 5.856 1.00 0.00 C ATOM 1557 C LYS A 97 16.661 -6.353 6.484 1.00 0.00 C ATOM 1558 O LYS A 97 16.960 -6.373 7.678 1.00 0.00 O ATOM 1559 CB LYS A 97 16.813 -8.362 5.001 1.00 0.00 C ATOM 1560 CG LYS A 97 16.108 -9.075 3.860 1.00 0.00 C ATOM 1561 CD LYS A 97 14.879 -9.826 4.345 1.00 0.00 C ATOM 1562 CE LYS A 97 15.222 -11.249 4.757 1.00 0.00 C ATOM 1563 NZ LYS A 97 14.132 -11.873 5.558 1.00 0.00 N ATOM 0 H LYS A 97 14.568 -7.560 4.221 1.00 0.00 H new ATOM 0 HA LYS A 97 15.462 -8.114 6.656 1.00 0.00 H new ATOM 0 HB2 LYS A 97 17.602 -7.731 4.592 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.296 -9.103 5.638 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.816 -8.349 3.101 1.00 0.00 H new ATOM 0 HG3 LYS A 97 16.797 -9.773 3.385 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.438 -9.298 5.190 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.128 -9.846 3.555 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.408 -11.850 3.867 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.144 -11.246 5.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.404 -12.842 5.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.971 -11.314 6.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.258 -11.899 4.994 1.00 0.00 H new ATOM 1577 N ASP A 98 16.987 -5.353 5.673 1.00 0.00 N ATOM 1578 CA ASP A 98 17.732 -4.194 6.149 1.00 0.00 C ATOM 1579 C ASP A 98 16.901 -3.383 7.139 1.00 0.00 C ATOM 1580 O ASP A 98 17.177 -3.377 8.339 1.00 0.00 O ATOM 1581 CB ASP A 98 18.151 -3.311 4.973 1.00 0.00 C ATOM 1582 CG ASP A 98 19.352 -3.865 4.232 1.00 0.00 C ATOM 1583 OD1 ASP A 98 20.136 -4.614 4.850 1.00 0.00 O ATOM 1584 OD2 ASP A 98 19.508 -3.548 3.034 1.00 0.00 O ATOM 0 H ASP A 98 16.747 -5.322 4.682 1.00 0.00 H new ATOM 0 HA ASP A 98 18.626 -4.553 6.660 1.00 0.00 H new ATOM 0 HB2 ASP A 98 17.315 -3.212 4.281 1.00 0.00 H new ATOM 0 HB3 ASP A 98 18.383 -2.311 5.338 1.00 0.00 H new ATOM 1589 N LYS A 99 15.882 -2.700 6.629 1.00 0.00 N ATOM 1590 CA LYS A 99 15.010 -1.886 7.466 1.00 0.00 C ATOM 1591 C LYS A 99 13.543 -2.142 7.135 1.00 0.00 C ATOM 1592 O LYS A 99 13.220 -2.673 6.072 1.00 0.00 O ATOM 1593 CB LYS A 99 15.333 -0.401 7.283 1.00 0.00 C ATOM 1594 CG LYS A 99 16.728 -0.020 7.750 1.00 0.00 C ATOM 1595 CD LYS A 99 16.829 -0.026 9.266 1.00 0.00 C ATOM 1596 CE LYS A 99 17.967 0.860 9.752 1.00 0.00 C ATOM 1597 NZ LYS A 99 17.586 2.300 9.754 1.00 0.00 N ATOM 0 H LYS A 99 15.640 -2.694 5.638 1.00 0.00 H new ATOM 0 HA LYS A 99 15.184 -2.164 8.505 1.00 0.00 H new ATOM 0 HB2 LYS A 99 15.228 -0.142 6.229 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.601 0.192 7.831 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.455 -0.717 7.333 1.00 0.00 H new ATOM 0 HG3 LYS A 99 16.982 0.970 7.371 1.00 0.00 H new ATOM 0 HD2 LYS A 99 15.889 0.319 9.696 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.985 -1.046 9.617 1.00 0.00 H new ATOM 0 HE2 LYS A 99 18.257 0.559 10.759 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.838 0.716 9.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.387 2.871 10.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.334 2.594 8.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.770 2.442 10.383 1.00 0.00 H new ATOM 1611 N PHE A 100 12.659 -1.760 8.051 1.00 0.00 N ATOM 1612 CA PHE A 100 11.226 -1.948 7.855 1.00 0.00 C ATOM 1613 C PHE A 100 10.491 -0.612 7.904 1.00 0.00 C ATOM 1614 O PHE A 100 10.633 0.153 8.858 1.00 0.00 O ATOM 1615 CB PHE A 100 10.664 -2.892 8.920 1.00 0.00 C ATOM 1616 CG PHE A 100 9.217 -2.644 9.237 1.00 0.00 C ATOM 1617 CD1 PHE A 100 8.274 -2.581 8.225 1.00 0.00 C ATOM 1618 CD2 PHE A 100 8.801 -2.473 10.548 1.00 0.00 C ATOM 1619 CE1 PHE A 100 6.941 -2.354 8.513 1.00 0.00 C ATOM 1620 CE2 PHE A 100 7.469 -2.246 10.842 1.00 0.00 C ATOM 1621 CZ PHE A 100 6.539 -2.185 9.823 1.00 0.00 C ATOM 0 H PHE A 100 12.910 -1.319 8.936 1.00 0.00 H new ATOM 0 HA PHE A 100 11.074 -2.390 6.871 1.00 0.00 H new ATOM 0 HB2 PHE A 100 10.782 -3.921 8.581 1.00 0.00 H new ATOM 0 HB3 PHE A 100 11.251 -2.788 9.833 1.00 0.00 H new ATOM 0 HD1 PHE A 100 8.584 -2.711 7.198 1.00 0.00 H new ATOM 0 HD2 PHE A 100 9.525 -2.518 11.348 1.00 0.00 H new ATOM 0 HE1 PHE A 100 6.215 -2.309 7.714 1.00 0.00 H new ATOM 0 HE2 PHE A 100 7.156 -2.117 11.868 1.00 0.00 H new ATOM 0 HZ PHE A 100 5.499 -2.005 10.050 1.00 0.00 H new ATOM 1631 N ASP A 101 9.705 -0.338 6.868 1.00 0.00 N ATOM 1632 CA ASP A 101 8.947 0.905 6.791 1.00 0.00 C ATOM 1633 C ASP A 101 7.451 0.623 6.688 1.00 0.00 C ATOM 1634 O ASP A 101 7.041 -0.459 6.267 1.00 0.00 O ATOM 1635 CB ASP A 101 9.406 1.734 5.591 1.00 0.00 C ATOM 1636 CG ASP A 101 10.851 2.176 5.711 1.00 0.00 C ATOM 1637 OD1 ASP A 101 11.655 1.422 6.299 1.00 0.00 O ATOM 1638 OD2 ASP A 101 11.179 3.274 5.217 1.00 0.00 O ATOM 0 H ASP A 101 9.576 -0.960 6.070 1.00 0.00 H new ATOM 0 HA ASP A 101 9.130 1.471 7.704 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.283 1.148 4.680 1.00 0.00 H new ATOM 0 HB3 ASP A 101 8.767 2.612 5.494 1.00 0.00 H new ATOM 1643 N SER A 102 6.641 1.603 7.076 1.00 0.00 N ATOM 1644 CA SER A 102 5.191 1.458 7.032 1.00 0.00 C ATOM 1645 C SER A 102 4.522 2.790 6.706 1.00 0.00 C ATOM 1646 O SER A 102 5.059 3.857 7.005 1.00 0.00 O ATOM 1647 CB SER A 102 4.669 0.927 8.368 1.00 0.00 C ATOM 1648 OG SER A 102 4.994 1.808 9.430 1.00 0.00 O ATOM 0 H SER A 102 6.964 2.506 7.424 1.00 0.00 H new ATOM 0 HA SER A 102 4.946 0.745 6.245 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.588 0.800 8.315 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.096 -0.057 8.564 1.00 0.00 H new ATOM 0 HG SER A 102 4.648 1.447 10.273 1.00 0.00 H new ATOM 1654 N CYS A 103 3.347 2.719 6.090 1.00 0.00 N ATOM 1655 CA CYS A 103 2.603 3.919 5.721 1.00 0.00 C ATOM 1656 C CYS A 103 1.145 3.585 5.423 1.00 0.00 C ATOM 1657 O CYS A 103 0.851 2.614 4.725 1.00 0.00 O ATOM 1658 CB CYS A 103 3.245 4.588 4.504 1.00 0.00 C ATOM 1659 SG CYS A 103 3.430 3.497 3.074 1.00 0.00 S ATOM 0 H CYS A 103 2.889 1.844 5.836 1.00 0.00 H new ATOM 0 HA CYS A 103 2.633 4.609 6.564 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.641 5.449 4.215 1.00 0.00 H new ATOM 0 HB3 CYS A 103 4.227 4.968 4.787 1.00 0.00 H new ATOM 0 HG CYS A 103 4.328 3.984 2.270 1.00 0.00 H new ATOM 1665 N SER A 104 0.237 4.394 5.958 1.00 0.00 N ATOM 1666 CA SER A 104 -1.191 4.181 5.754 1.00 0.00 C ATOM 1667 C SER A 104 -1.790 5.295 4.901 1.00 0.00 C ATOM 1668 O SER A 104 -1.237 6.392 4.814 1.00 0.00 O ATOM 1669 CB SER A 104 -1.915 4.109 7.100 1.00 0.00 C ATOM 1670 OG SER A 104 -1.813 5.337 7.800 1.00 0.00 O ATOM 0 H SER A 104 0.464 5.203 6.536 1.00 0.00 H new ATOM 0 HA SER A 104 -1.321 3.235 5.229 1.00 0.00 H new ATOM 0 HB2 SER A 104 -2.965 3.865 6.939 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.490 3.307 7.703 1.00 0.00 H new ATOM 0 HG SER A 104 -2.285 5.266 8.656 1.00 0.00 H new ATOM 1676 N PHE A 105 -2.924 5.006 4.272 1.00 0.00 N ATOM 1677 CA PHE A 105 -3.599 5.982 3.424 1.00 0.00 C ATOM 1678 C PHE A 105 -5.115 5.862 3.557 1.00 0.00 C ATOM 1679 O PHE A 105 -5.618 5.067 4.352 1.00 0.00 O ATOM 1680 CB PHE A 105 -3.188 5.790 1.963 1.00 0.00 C ATOM 1681 CG PHE A 105 -3.389 4.389 1.462 1.00 0.00 C ATOM 1682 CD1 PHE A 105 -2.541 3.368 1.861 1.00 0.00 C ATOM 1683 CD2 PHE A 105 -4.426 4.092 0.592 1.00 0.00 C ATOM 1684 CE1 PHE A 105 -2.724 2.077 1.402 1.00 0.00 C ATOM 1685 CE2 PHE A 105 -4.613 2.803 0.130 1.00 0.00 C ATOM 1686 CZ PHE A 105 -3.761 1.795 0.534 1.00 0.00 C ATOM 0 H PHE A 105 -3.395 4.103 4.333 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.301 6.978 3.751 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.762 6.476 1.340 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.138 6.060 1.851 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -1.728 3.583 2.538 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.095 4.877 0.271 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -2.057 1.290 1.722 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -5.426 2.584 -0.547 1.00 0.00 H new ATOM 0 HZ PHE A 105 -3.905 0.788 0.172 1.00 0.00 H new ATOM 1696 N ASP A 106 -5.836 6.657 2.775 1.00 0.00 N ATOM 1697 CA ASP A 106 -7.294 6.641 2.804 1.00 0.00 C ATOM 1698 C ASP A 106 -7.863 6.422 1.406 1.00 0.00 C ATOM 1699 O ASP A 106 -7.387 7.007 0.431 1.00 0.00 O ATOM 1700 CB ASP A 106 -7.828 7.951 3.385 1.00 0.00 C ATOM 1701 CG ASP A 106 -7.577 9.135 2.472 1.00 0.00 C ATOM 1702 OD1 ASP A 106 -6.401 9.379 2.128 1.00 0.00 O ATOM 1703 OD2 ASP A 106 -8.555 9.818 2.102 1.00 0.00 O ATOM 0 H ASP A 106 -5.435 7.321 2.113 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.611 5.814 3.440 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.899 7.855 3.565 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -7.358 8.135 4.351 1.00 0.00 H new ATOM 1708 N LEU A 107 -8.882 5.574 1.314 1.00 0.00 N ATOM 1709 CA LEU A 107 -9.516 5.276 0.034 1.00 0.00 C ATOM 1710 C LEU A 107 -11.006 5.600 0.076 1.00 0.00 C ATOM 1711 O LEU A 107 -11.714 5.187 0.993 1.00 0.00 O ATOM 1712 CB LEU A 107 -9.312 3.804 -0.327 1.00 0.00 C ATOM 1713 CG LEU A 107 -9.727 3.396 -1.741 1.00 0.00 C ATOM 1714 CD1 LEU A 107 -11.207 3.050 -1.785 1.00 0.00 C ATOM 1715 CD2 LEU A 107 -9.407 4.506 -2.732 1.00 0.00 C ATOM 0 H LEU A 107 -9.287 5.081 2.110 1.00 0.00 H new ATOM 0 HA LEU A 107 -9.049 5.899 -0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.258 3.561 -0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.871 3.195 0.384 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.160 2.509 -2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.483 2.762 -2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -11.407 2.222 -1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.793 3.918 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.709 4.198 -3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.947 5.411 -2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -8.335 4.705 -2.722 1.00 0.00 H new ATOM 1727 N GLU A 108 -11.473 6.340 -0.924 1.00 0.00 N ATOM 1728 CA GLU A 108 -12.880 6.718 -1.002 1.00 0.00 C ATOM 1729 C GLU A 108 -13.574 5.999 -2.155 1.00 0.00 C ATOM 1730 O GLU A 108 -12.951 5.683 -3.169 1.00 0.00 O ATOM 1731 CB GLU A 108 -13.015 8.232 -1.175 1.00 0.00 C ATOM 1732 CG GLU A 108 -12.703 9.019 0.086 1.00 0.00 C ATOM 1733 CD GLU A 108 -11.241 9.411 0.182 1.00 0.00 C ATOM 1734 OE1 GLU A 108 -10.377 8.523 0.031 1.00 0.00 O ATOM 1735 OE2 GLU A 108 -10.962 10.608 0.409 1.00 0.00 O ATOM 0 H GLU A 108 -10.899 6.690 -1.691 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.362 6.422 -0.070 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.347 8.559 -1.972 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -14.031 8.463 -1.496 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.319 9.918 0.110 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -12.974 8.423 0.958 1.00 0.00 H new ATOM 1742 N VAL A 109 -14.867 5.742 -1.991 1.00 0.00 N ATOM 1743 CA VAL A 109 -15.647 5.060 -3.018 1.00 0.00 C ATOM 1744 C VAL A 109 -16.946 5.805 -3.306 1.00 0.00 C ATOM 1745 O VAL A 109 -17.799 5.950 -2.430 1.00 0.00 O ATOM 1746 CB VAL A 109 -15.978 3.614 -2.604 1.00 0.00 C ATOM 1747 CG1 VAL A 109 -16.677 2.880 -3.738 1.00 0.00 C ATOM 1748 CG2 VAL A 109 -14.716 2.879 -2.180 1.00 0.00 C ATOM 0 H VAL A 109 -15.397 5.995 -1.157 1.00 0.00 H new ATOM 0 HA VAL A 109 -15.035 5.040 -3.920 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.656 3.645 -1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -16.903 1.860 -3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -17.604 3.396 -3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -16.026 2.857 -4.612 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -14.969 1.859 -1.891 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.011 2.856 -3.011 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -14.262 3.394 -1.333 1.00 0.00 H new ATOM 1758 N HIS A 110 -17.090 6.276 -4.541 1.00 0.00 N ATOM 1759 CA HIS A 110 -18.287 7.005 -4.946 1.00 0.00 C ATOM 1760 C HIS A 110 -19.209 6.118 -5.777 1.00 0.00 C ATOM 1761 O HIS A 110 -18.747 5.299 -6.570 1.00 0.00 O ATOM 1762 CB HIS A 110 -17.904 8.252 -5.744 1.00 0.00 C ATOM 1763 CG HIS A 110 -17.180 9.283 -4.934 1.00 0.00 C ATOM 1764 ND1 HIS A 110 -17.046 10.596 -5.334 1.00 0.00 N ATOM 1765 CD2 HIS A 110 -16.550 9.188 -3.740 1.00 0.00 C ATOM 1766 CE1 HIS A 110 -16.363 11.264 -4.421 1.00 0.00 C ATOM 1767 NE2 HIS A 110 -16.051 10.433 -3.443 1.00 0.00 N ATOM 0 H HIS A 110 -16.393 6.166 -5.278 1.00 0.00 H new ATOM 0 HA HIS A 110 -18.820 7.308 -4.045 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -17.277 7.957 -6.585 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -18.807 8.698 -6.161 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -16.457 8.299 -3.134 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -16.104 12.311 -4.467 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -15.525 10.676 -2.604 1.00 0.00 H new ATOM 1776 N GLU A 111 -20.514 6.288 -5.587 1.00 0.00 N ATOM 1777 CA GLU A 111 -21.500 5.500 -6.319 1.00 0.00 C ATOM 1778 C GLU A 111 -21.403 5.765 -7.818 1.00 0.00 C ATOM 1779 O GLU A 111 -21.408 6.915 -8.258 1.00 0.00 O ATOM 1780 CB GLU A 111 -22.911 5.821 -5.822 1.00 0.00 C ATOM 1781 CG GLU A 111 -23.155 5.416 -4.379 1.00 0.00 C ATOM 1782 CD GLU A 111 -24.609 5.081 -4.105 1.00 0.00 C ATOM 1783 OE1 GLU A 111 -25.212 4.348 -4.916 1.00 0.00 O ATOM 1784 OE2 GLU A 111 -25.142 5.552 -3.079 1.00 0.00 O ATOM 0 H GLU A 111 -20.913 6.963 -4.934 1.00 0.00 H new ATOM 0 HA GLU A 111 -21.291 4.445 -6.141 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -23.088 6.892 -5.925 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -23.636 5.315 -6.460 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -22.535 4.552 -4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -22.842 6.226 -3.720 1.00 0.00 H new ATOM 1791 N SER A 112 -21.316 4.692 -8.598 1.00 0.00 N ATOM 1792 CA SER A 112 -21.214 4.808 -10.048 1.00 0.00 C ATOM 1793 C SER A 112 -22.580 5.088 -10.668 1.00 0.00 C ATOM 1794 O SER A 112 -22.781 6.113 -11.321 1.00 0.00 O ATOM 1795 CB SER A 112 -20.624 3.528 -10.643 1.00 0.00 C ATOM 1796 OG SER A 112 -20.446 3.651 -12.043 1.00 0.00 O ATOM 0 H SER A 112 -21.314 3.733 -8.250 1.00 0.00 H new ATOM 0 HA SER A 112 -20.553 5.644 -10.275 1.00 0.00 H new ATOM 0 HB2 SER A 112 -19.667 3.311 -10.169 1.00 0.00 H new ATOM 0 HB3 SER A 112 -21.283 2.687 -10.430 1.00 0.00 H new ATOM 0 HG SER A 112 -20.066 2.821 -12.399 1.00 0.00 H new ATOM 1802 N THR A 113 -23.517 4.168 -10.460 1.00 0.00 N ATOM 1803 CA THR A 113 -24.863 4.313 -10.998 1.00 0.00 C ATOM 1804 C THR A 113 -25.446 5.681 -10.660 1.00 0.00 C ATOM 1805 O THR A 113 -25.018 6.330 -9.706 1.00 0.00 O ATOM 1806 CB THR A 113 -25.805 3.219 -10.460 1.00 0.00 C ATOM 1807 OG1 THR A 113 -25.807 3.236 -9.028 1.00 0.00 O ATOM 1808 CG2 THR A 113 -25.377 1.846 -10.956 1.00 0.00 C ATOM 0 H THR A 113 -23.368 3.314 -9.922 1.00 0.00 H new ATOM 0 HA THR A 113 -24.783 4.212 -12.080 1.00 0.00 H new ATOM 0 HB THR A 113 -26.811 3.423 -10.826 1.00 0.00 H new ATOM 0 HG1 THR A 113 -26.409 2.539 -8.693 1.00 0.00 H new ATOM 0 HG21 THR A 113 -26.056 1.089 -10.564 1.00 0.00 H new ATOM 0 HG22 THR A 113 -25.404 1.828 -12.046 1.00 0.00 H new ATOM 0 HG23 THR A 113 -24.363 1.636 -10.615 1.00 0.00 H new ATOM 1816 N GLY A 114 -26.427 6.113 -11.447 1.00 0.00 N ATOM 1817 CA GLY A 114 -27.053 7.401 -11.214 1.00 0.00 C ATOM 1818 C GLY A 114 -26.559 8.467 -12.171 1.00 0.00 C ATOM 1819 O GLY A 114 -25.863 8.168 -13.142 1.00 0.00 O ATOM 0 H GLY A 114 -26.799 5.593 -12.242 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -28.134 7.300 -11.314 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -26.856 7.717 -10.190 1.00 0.00 H new ATOM 1823 N THR A 115 -26.920 9.718 -11.899 1.00 0.00 N ATOM 1824 CA THR A 115 -26.512 10.832 -12.745 1.00 0.00 C ATOM 1825 C THR A 115 -25.228 11.473 -12.229 1.00 0.00 C ATOM 1826 O THR A 115 -25.021 11.587 -11.020 1.00 0.00 O ATOM 1827 CB THR A 115 -27.612 11.908 -12.826 1.00 0.00 C ATOM 1828 OG1 THR A 115 -27.985 12.327 -11.509 1.00 0.00 O ATOM 1829 CG2 THR A 115 -28.834 11.377 -13.561 1.00 0.00 C ATOM 0 H THR A 115 -27.494 9.984 -11.099 1.00 0.00 H new ATOM 0 HA THR A 115 -26.337 10.425 -13.741 1.00 0.00 H new ATOM 0 HB THR A 115 -27.217 12.760 -13.379 1.00 0.00 H new ATOM 0 HG1 THR A 115 -28.683 13.012 -11.569 1.00 0.00 H new ATOM 0 HG21 THR A 115 -29.597 12.154 -13.606 1.00 0.00 H new ATOM 0 HG22 THR A 115 -28.552 11.086 -14.573 1.00 0.00 H new ATOM 0 HG23 THR A 115 -29.229 10.510 -13.031 1.00 0.00 H new ATOM 1837 N THR A 116 -24.368 11.890 -13.152 1.00 0.00 N ATOM 1838 CA THR A 116 -23.103 12.519 -12.790 1.00 0.00 C ATOM 1839 C THR A 116 -23.084 13.988 -13.196 1.00 0.00 C ATOM 1840 O THR A 116 -23.581 14.371 -14.256 1.00 0.00 O ATOM 1841 CB THR A 116 -21.910 11.801 -13.449 1.00 0.00 C ATOM 1842 OG1 THR A 116 -22.010 11.891 -14.874 1.00 0.00 O ATOM 1843 CG2 THR A 116 -21.860 10.339 -13.030 1.00 0.00 C ATOM 0 H THR A 116 -24.524 11.804 -14.156 1.00 0.00 H new ATOM 0 HA THR A 116 -23.010 12.443 -11.707 1.00 0.00 H new ATOM 0 HB THR A 116 -20.993 12.289 -13.119 1.00 0.00 H new ATOM 0 HG1 THR A 116 -21.247 11.434 -15.285 1.00 0.00 H new ATOM 0 HG21 THR A 116 -21.010 9.852 -13.508 1.00 0.00 H new ATOM 0 HG22 THR A 116 -21.754 10.274 -11.947 1.00 0.00 H new ATOM 0 HG23 THR A 116 -22.781 9.842 -13.335 1.00 0.00 H new ATOM 1851 N PRO A 117 -22.498 14.833 -12.335 1.00 0.00 N ATOM 1852 CA PRO A 117 -22.399 16.274 -12.583 1.00 0.00 C ATOM 1853 C PRO A 117 -21.432 16.602 -13.716 1.00 0.00 C ATOM 1854 O PRO A 117 -20.703 15.734 -14.193 1.00 0.00 O ATOM 1855 CB PRO A 117 -21.875 16.828 -11.255 1.00 0.00 C ATOM 1856 CG PRO A 117 -21.150 15.687 -10.629 1.00 0.00 C ATOM 1857 CD PRO A 117 -21.886 14.446 -11.053 1.00 0.00 C ATOM 0 HA PRO A 117 -23.353 16.701 -12.891 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -21.212 17.679 -11.415 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -22.691 17.174 -10.621 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -20.111 15.657 -10.959 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -21.137 15.781 -9.543 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -21.211 13.599 -11.170 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -22.639 14.155 -10.320 1.00 0.00 H new ATOM 1865 N ASN A 118 -21.431 17.862 -14.140 1.00 0.00 N ATOM 1866 CA ASN A 118 -20.553 18.304 -15.217 1.00 0.00 C ATOM 1867 C ASN A 118 -20.221 19.786 -15.074 1.00 0.00 C ATOM 1868 O ASN A 118 -20.928 20.528 -14.392 1.00 0.00 O ATOM 1869 CB ASN A 118 -21.208 18.046 -16.576 1.00 0.00 C ATOM 1870 CG ASN A 118 -21.731 16.628 -16.705 1.00 0.00 C ATOM 1871 OD1 ASN A 118 -22.858 16.332 -16.309 1.00 0.00 O ATOM 1872 ND2 ASN A 118 -20.911 15.744 -17.262 1.00 0.00 N ATOM 0 H ASN A 118 -22.028 18.594 -13.755 1.00 0.00 H new ATOM 0 HA ASN A 118 -19.626 17.734 -15.154 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -22.029 18.748 -16.720 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -20.484 18.237 -17.368 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -21.207 14.775 -17.376 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -19.985 16.034 -17.576 1.00 0.00 H new ATOM 1879 N ILE A 119 -19.142 20.211 -15.723 1.00 0.00 N ATOM 1880 CA ILE A 119 -18.717 21.604 -15.669 1.00 0.00 C ATOM 1881 C ILE A 119 -18.654 22.214 -17.065 1.00 0.00 C ATOM 1882 O ILE A 119 -18.244 21.557 -18.023 1.00 0.00 O ATOM 1883 CB ILE A 119 -17.339 21.747 -14.996 1.00 0.00 C ATOM 1884 CG1 ILE A 119 -17.394 21.230 -13.557 1.00 0.00 C ATOM 1885 CG2 ILE A 119 -16.883 23.198 -15.026 1.00 0.00 C ATOM 1886 CD1 ILE A 119 -16.039 20.854 -12.998 1.00 0.00 C ATOM 0 H ILE A 119 -18.546 19.610 -16.292 1.00 0.00 H new ATOM 0 HA ILE A 119 -19.459 22.137 -15.075 1.00 0.00 H new ATOM 0 HB ILE A 119 -16.616 21.148 -15.550 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -17.841 21.995 -12.922 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -18.049 20.360 -13.517 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -15.908 23.283 -14.547 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -16.810 23.535 -16.060 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -17.604 23.817 -14.493 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -16.154 20.496 -11.975 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -15.598 20.067 -13.610 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -15.387 21.728 -13.006 1.00 0.00 H new ATOM 1898 N ASP A 120 -19.063 23.473 -17.174 1.00 0.00 N ATOM 1899 CA ASP A 120 -19.050 24.174 -18.453 1.00 0.00 C ATOM 1900 C ASP A 120 -17.648 24.674 -18.784 1.00 0.00 C ATOM 1901 O ASP A 120 -16.979 25.278 -17.946 1.00 0.00 O ATOM 1902 CB ASP A 120 -20.031 25.347 -18.425 1.00 0.00 C ATOM 1903 CG ASP A 120 -20.047 26.119 -19.730 1.00 0.00 C ATOM 1904 OD1 ASP A 120 -20.498 25.554 -20.747 1.00 0.00 O ATOM 1905 OD2 ASP A 120 -19.606 27.288 -19.733 1.00 0.00 O ATOM 0 H ASP A 120 -19.408 24.030 -16.392 1.00 0.00 H new ATOM 0 HA ASP A 120 -19.358 23.472 -19.228 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -21.033 24.974 -18.215 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -19.764 26.021 -17.611 1.00 0.00 H new ATOM 1910 N SER A 121 -17.209 24.418 -20.013 1.00 0.00 N ATOM 1911 CA SER A 121 -15.884 24.838 -20.454 1.00 0.00 C ATOM 1912 C SER A 121 -15.848 25.019 -21.969 1.00 0.00 C ATOM 1913 O SER A 121 -16.623 24.401 -22.698 1.00 0.00 O ATOM 1914 CB SER A 121 -14.832 23.813 -20.026 1.00 0.00 C ATOM 1915 OG SER A 121 -14.606 23.867 -18.628 1.00 0.00 O ATOM 0 H SER A 121 -17.751 23.922 -20.720 1.00 0.00 H new ATOM 0 HA SER A 121 -15.659 25.796 -19.986 1.00 0.00 H new ATOM 0 HB2 SER A 121 -15.160 22.812 -20.306 1.00 0.00 H new ATOM 0 HB3 SER A 121 -13.899 24.002 -20.556 1.00 0.00 H new ATOM 0 HG SER A 121 -15.278 24.445 -18.210 1.00 0.00 H new ATOM 1921 N GLY A 122 -14.941 25.872 -22.435 1.00 0.00 N ATOM 1922 CA GLY A 122 -14.820 26.119 -23.860 1.00 0.00 C ATOM 1923 C GLY A 122 -13.405 25.920 -24.365 1.00 0.00 C ATOM 1924 O GLY A 122 -12.437 26.385 -23.762 1.00 0.00 O ATOM 0 H GLY A 122 -14.288 26.396 -21.852 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -15.492 25.452 -24.400 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -15.140 27.138 -24.077 1.00 0.00 H new ATOM 1928 N PRO A 123 -13.270 25.213 -25.497 1.00 0.00 N ATOM 1929 CA PRO A 123 -11.966 24.935 -26.106 1.00 0.00 C ATOM 1930 C PRO A 123 -11.324 26.187 -26.697 1.00 0.00 C ATOM 1931 O PRO A 123 -11.969 27.228 -26.817 1.00 0.00 O ATOM 1932 CB PRO A 123 -12.298 23.932 -27.213 1.00 0.00 C ATOM 1933 CG PRO A 123 -13.724 24.198 -27.551 1.00 0.00 C ATOM 1934 CD PRO A 123 -14.380 24.629 -26.268 1.00 0.00 C ATOM 0 HA PRO A 123 -11.246 24.563 -25.377 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -11.653 24.072 -28.080 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -12.157 22.906 -26.873 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -13.807 24.974 -28.312 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -14.203 23.305 -27.953 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -15.172 25.356 -26.446 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -14.833 23.786 -25.745 1.00 0.00 H new ATOM 1942 N SER A 124 -10.052 26.076 -27.064 1.00 0.00 N ATOM 1943 CA SER A 124 -9.322 27.200 -27.639 1.00 0.00 C ATOM 1944 C SER A 124 -8.452 26.743 -28.806 1.00 0.00 C ATOM 1945 O SER A 124 -7.707 25.770 -28.695 1.00 0.00 O ATOM 1946 CB SER A 124 -8.454 27.871 -26.573 1.00 0.00 C ATOM 1947 OG SER A 124 -7.638 26.922 -25.908 1.00 0.00 O ATOM 0 H SER A 124 -9.505 25.220 -26.974 1.00 0.00 H new ATOM 0 HA SER A 124 -10.049 27.921 -28.011 1.00 0.00 H new ATOM 0 HB2 SER A 124 -7.827 28.633 -27.037 1.00 0.00 H new ATOM 0 HB3 SER A 124 -9.090 28.379 -25.849 1.00 0.00 H new ATOM 0 HG SER A 124 -7.356 26.231 -26.543 1.00 0.00 H new ATOM 1953 N SER A 125 -8.553 27.454 -29.925 1.00 0.00 N ATOM 1954 CA SER A 125 -7.778 27.120 -31.114 1.00 0.00 C ATOM 1955 C SER A 125 -6.284 27.288 -30.855 1.00 0.00 C ATOM 1956 O SER A 125 -5.866 28.192 -30.133 1.00 0.00 O ATOM 1957 CB SER A 125 -8.206 28.000 -32.291 1.00 0.00 C ATOM 1958 OG SER A 125 -9.476 27.609 -32.784 1.00 0.00 O ATOM 0 H SER A 125 -9.163 28.264 -30.033 1.00 0.00 H new ATOM 0 HA SER A 125 -7.970 26.076 -31.361 1.00 0.00 H new ATOM 0 HB2 SER A 125 -8.240 29.043 -31.976 1.00 0.00 H new ATOM 0 HB3 SER A 125 -7.466 27.932 -33.088 1.00 0.00 H new ATOM 0 HG SER A 125 -9.728 28.187 -33.534 1.00 0.00 H new ATOM 1964 N GLY A 126 -5.484 26.410 -31.452 1.00 0.00 N ATOM 1965 CA GLY A 126 -4.045 26.478 -31.274 1.00 0.00 C ATOM 1966 C GLY A 126 -3.289 26.235 -32.565 1.00 0.00 C ATOM 1967 O GLY A 126 -3.866 25.783 -33.554 1.00 0.00 O ATOM 0 H GLY A 126 -5.806 25.653 -32.055 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -3.777 27.458 -30.878 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -3.738 25.740 -30.533 1.00 0.00 H new TER 1971 GLY A 126