USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 820 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 102 THR OG1 : rot -73:sc= 0.691 USER MOD Set 1.2: A 103 ASN : amide:sc= -3.88! K(o=-3.2!,f=0.0075) USER MOD Set 2.1: A 52 ASN : amide:sc= 0.159 K(o=0.16,f=-1.6) USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 26 HIS : no HD1:sc= -3.99! C(o=-15!,f=-13!) USER MOD Set 3.2: A 31 ASN : amide:sc= -4.85! C(o=-15!,f=-24!) USER MOD Set 3.3: A 33 HIS : no HD1:sc= -5.73! C(o=-15!,f=-19!) USER MOD Single : A 5 LYS NZ :NH3+ 142:sc= 0.0417 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -2.07! C(o=-2.1!,f=-2.8!) USER MOD Single : A 13 LYS NZ :NH3+ 178:sc= 1.28 (180deg=1.24) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0569 USER MOD Single : A 16 GLN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 17 CYS SG : rot 180:sc=-0.00172 USER MOD Single : A 18 HIS : no HD1:sc= -3.96! C(o=-4!,f=-6!) USER MOD Single : A 19 THR OG1 : rot -142:sc= 0.00692 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0681) USER MOD Single : A 40 THR OG1 : rot 89:sc= -0.795 USER MOD Single : A 42 GLN : amide:sc= -4.74! K(o=-4.7!,f=0.25) USER MOD Single : A 47 THR OG1 : rot 30:sc= 0.353 USER MOD Single : A 48 TYR OH : rot 15:sc= -0.506 USER MOD Single : A 49 THR OG1 : rot 140:sc= -0.503 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -10.2! C(o=-10!,f=-4.3!) USER MOD Single : A 55 LYS NZ :NH3+ -118:sc= -1.69 (180deg=-4.1!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 81:sc= -2.41! USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -138:sc= 0.907 USER MOD Single : A 70 ASN : amide:sc= -7.09! K(o=-7.1!,f=-1.3) USER MOD Single : A 72 LYS NZ :NH3+ -163:sc= -2.55! (180deg=-3.41!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -160:sc= -0.0769 (180deg=-0.746) USER MOD Single : A 80 MET CE :methyl -108:sc= -0.192 (180deg=-1.81) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -162:sc=-0.00438 (180deg=-0.143) USER MOD ----------------------------------------------------------------- ATOM 10 N ASP A 2 74.282 8.391 -8.640 1.00 0.00 N ATOM 11 CA ASP A 2 73.882 7.633 -9.822 1.00 0.00 C ATOM 12 C ASP A 2 74.258 6.166 -9.676 1.00 0.00 C ATOM 13 O ASP A 2 75.303 5.732 -10.153 1.00 0.00 O ATOM 14 CB ASP A 2 74.557 8.208 -11.066 1.00 0.00 C ATOM 15 CG ASP A 2 74.001 9.594 -11.369 1.00 0.00 C ATOM 16 OD1 ASP A 2 73.875 10.376 -10.440 1.00 0.00 O ATOM 17 OD2 ASP A 2 73.709 9.855 -12.525 1.00 0.00 O1- ATOM 0 HA ASP A 2 72.800 7.710 -9.925 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.634 8.266 -10.911 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.392 7.547 -11.917 1.00 0.00 H new ATOM 22 N VAL A 3 73.392 5.407 -9.018 1.00 0.00 N ATOM 23 CA VAL A 3 73.633 3.986 -8.819 1.00 0.00 C ATOM 24 C VAL A 3 74.019 3.326 -10.139 1.00 0.00 C ATOM 25 O VAL A 3 74.608 2.244 -10.156 1.00 0.00 O ATOM 26 CB VAL A 3 72.370 3.327 -8.255 1.00 0.00 C ATOM 27 CG1 VAL A 3 71.170 3.687 -9.133 1.00 0.00 C ATOM 28 CG2 VAL A 3 72.544 1.807 -8.232 1.00 0.00 C ATOM 0 H VAL A 3 72.520 5.750 -8.615 1.00 0.00 H new ATOM 0 HA VAL A 3 74.454 3.859 -8.113 1.00 0.00 H new ATOM 0 HB VAL A 3 72.202 3.686 -7.240 1.00 0.00 H new ATOM 0 HG11 VAL A 3 70.272 3.218 -8.732 1.00 0.00 H new ATOM 0 HG12 VAL A 3 71.040 4.769 -9.145 1.00 0.00 H new ATOM 0 HG13 VAL A 3 71.342 3.331 -10.149 1.00 0.00 H new ATOM 0 HG21 VAL A 3 71.643 1.344 -7.830 1.00 0.00 H new ATOM 0 HG22 VAL A 3 72.717 1.445 -9.246 1.00 0.00 H new ATOM 0 HG23 VAL A 3 73.396 1.548 -7.604 1.00 0.00 H new ATOM 38 N GLU A 4 73.678 3.983 -11.245 1.00 0.00 N ATOM 39 CA GLU A 4 73.991 3.445 -12.566 1.00 0.00 C ATOM 40 C GLU A 4 75.476 3.596 -12.877 1.00 0.00 C ATOM 41 O GLU A 4 76.170 2.609 -13.125 1.00 0.00 O ATOM 42 CB GLU A 4 73.169 4.170 -13.634 1.00 0.00 C ATOM 43 CG GLU A 4 71.712 3.706 -13.565 1.00 0.00 C ATOM 44 CD GLU A 4 71.577 2.320 -14.184 1.00 0.00 C ATOM 45 OE1 GLU A 4 71.989 2.158 -15.321 1.00 0.00 O ATOM 46 OE2 GLU A 4 71.063 1.441 -13.513 1.00 0.00 O1- ATOM 0 H GLU A 4 73.190 4.879 -11.254 1.00 0.00 H new ATOM 0 HA GLU A 4 73.740 2.384 -12.569 1.00 0.00 H new ATOM 0 HB2 GLU A 4 73.225 5.248 -13.481 1.00 0.00 H new ATOM 0 HB3 GLU A 4 73.579 3.967 -14.623 1.00 0.00 H new ATOM 0 HG2 GLU A 4 71.377 3.684 -12.528 1.00 0.00 H new ATOM 0 HG3 GLU A 4 71.071 4.413 -14.092 1.00 0.00 H new ATOM 53 N LYS A 5 75.959 4.832 -12.860 1.00 0.00 N ATOM 54 CA LYS A 5 77.366 5.087 -13.141 1.00 0.00 C ATOM 55 C LYS A 5 78.218 4.581 -11.988 1.00 0.00 C ATOM 56 O LYS A 5 79.412 4.321 -12.150 1.00 0.00 O ATOM 57 CB LYS A 5 77.600 6.592 -13.349 1.00 0.00 C ATOM 58 CG LYS A 5 77.417 6.963 -14.830 1.00 0.00 C ATOM 59 CD LYS A 5 75.928 6.947 -15.200 1.00 0.00 C ATOM 60 CE LYS A 5 75.289 8.296 -14.853 1.00 0.00 C ATOM 61 NZ LYS A 5 73.846 8.271 -15.222 1.00 0.00 N1+ ATOM 0 H LYS A 5 75.405 5.664 -12.657 1.00 0.00 H new ATOM 0 HA LYS A 5 77.649 4.560 -14.053 1.00 0.00 H new ATOM 0 HB2 LYS A 5 76.903 7.163 -12.736 1.00 0.00 H new ATOM 0 HB3 LYS A 5 78.605 6.859 -13.022 1.00 0.00 H new ATOM 0 HG2 LYS A 5 77.836 7.951 -15.019 1.00 0.00 H new ATOM 0 HG3 LYS A 5 77.963 6.260 -15.459 1.00 0.00 H new ATOM 0 HD2 LYS A 5 75.811 6.743 -16.264 1.00 0.00 H new ATOM 0 HD3 LYS A 5 75.420 6.146 -14.664 1.00 0.00 H new ATOM 0 HE2 LYS A 5 75.400 8.500 -13.788 1.00 0.00 H new ATOM 0 HE3 LYS A 5 75.798 9.099 -15.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 73.295 8.784 -14.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 73.717 8.725 -16.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 73.517 7.286 -15.271 1.00 0.00 H new ATOM 75 N GLY A 6 77.592 4.419 -10.830 1.00 0.00 N ATOM 76 CA GLY A 6 78.300 3.916 -9.665 1.00 0.00 C ATOM 77 C GLY A 6 78.592 2.440 -9.862 1.00 0.00 C ATOM 78 O GLY A 6 79.634 1.933 -9.444 1.00 0.00 O ATOM 0 H GLY A 6 76.606 4.627 -10.675 1.00 0.00 H new ATOM 0 HA2 GLY A 6 79.229 4.468 -9.522 1.00 0.00 H new ATOM 0 HA3 GLY A 6 77.700 4.064 -8.767 1.00 0.00 H new ATOM 82 N LYS A 7 77.662 1.762 -10.526 1.00 0.00 N ATOM 83 CA LYS A 7 77.815 0.346 -10.807 1.00 0.00 C ATOM 84 C LYS A 7 78.938 0.135 -11.815 1.00 0.00 C ATOM 85 O LYS A 7 79.749 -0.778 -11.671 1.00 0.00 O ATOM 86 CB LYS A 7 76.505 -0.217 -11.364 1.00 0.00 C ATOM 87 CG LYS A 7 76.678 -1.706 -11.704 1.00 0.00 C ATOM 88 CD LYS A 7 76.843 -1.879 -13.220 1.00 0.00 C ATOM 89 CE LYS A 7 76.895 -3.369 -13.570 1.00 0.00 C ATOM 90 NZ LYS A 7 75.529 -3.841 -13.933 1.00 0.00 N1+ ATOM 0 H LYS A 7 76.797 2.173 -10.878 1.00 0.00 H new ATOM 0 HA LYS A 7 78.064 -0.175 -9.883 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.706 -0.092 -10.633 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.211 0.337 -12.256 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.549 -2.108 -11.186 1.00 0.00 H new ATOM 0 HG3 LYS A 7 75.813 -2.270 -11.357 1.00 0.00 H new ATOM 0 HD2 LYS A 7 76.013 -1.402 -13.742 1.00 0.00 H new ATOM 0 HD3 LYS A 7 77.756 -1.386 -13.554 1.00 0.00 H new ATOM 0 HE2 LYS A 7 77.581 -3.535 -14.400 1.00 0.00 H new ATOM 0 HE3 LYS A 7 77.276 -3.940 -12.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 75.563 -4.853 -14.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 74.886 -3.696 -13.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 75.183 -3.304 -14.754 1.00 0.00 H new ATOM 104 N LYS A 8 78.982 0.990 -12.836 1.00 0.00 N ATOM 105 CA LYS A 8 80.019 0.883 -13.858 1.00 0.00 C ATOM 106 C LYS A 8 81.406 1.001 -13.230 1.00 0.00 C ATOM 107 O LYS A 8 82.289 0.174 -13.471 1.00 0.00 O ATOM 108 CB LYS A 8 79.832 1.987 -14.906 1.00 0.00 C ATOM 109 CG LYS A 8 80.958 1.916 -15.952 1.00 0.00 C ATOM 110 CD LYS A 8 82.029 2.974 -15.650 1.00 0.00 C ATOM 111 CE LYS A 8 81.599 4.325 -16.231 1.00 0.00 C ATOM 112 NZ LYS A 8 82.654 5.341 -15.957 1.00 0.00 N1+ ATOM 0 H LYS A 8 78.321 1.754 -12.976 1.00 0.00 H new ATOM 0 HA LYS A 8 79.934 -0.092 -14.337 1.00 0.00 H new ATOM 0 HB2 LYS A 8 78.864 1.876 -15.394 1.00 0.00 H new ATOM 0 HB3 LYS A 8 79.835 2.964 -14.422 1.00 0.00 H new ATOM 0 HG2 LYS A 8 81.406 0.922 -15.948 1.00 0.00 H new ATOM 0 HG3 LYS A 8 80.549 2.077 -16.949 1.00 0.00 H new ATOM 0 HD2 LYS A 8 82.175 3.060 -14.573 1.00 0.00 H new ATOM 0 HD3 LYS A 8 82.984 2.671 -16.078 1.00 0.00 H new ATOM 0 HE2 LYS A 8 81.435 4.236 -17.305 1.00 0.00 H new ATOM 0 HE3 LYS A 8 80.653 4.639 -15.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 82.363 6.258 -16.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 82.789 5.433 -14.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 83.547 5.042 -16.399 1.00 0.00 H new ATOM 126 N ILE A 9 81.590 2.039 -12.423 1.00 0.00 N ATOM 127 CA ILE A 9 82.871 2.262 -11.768 1.00 0.00 C ATOM 128 C ILE A 9 83.185 1.134 -10.792 1.00 0.00 C ATOM 129 O ILE A 9 84.342 0.892 -10.472 1.00 0.00 O ATOM 130 CB ILE A 9 82.845 3.590 -11.010 1.00 0.00 C ATOM 131 CG1 ILE A 9 82.643 4.743 -12.000 1.00 0.00 C ATOM 132 CG2 ILE A 9 84.172 3.781 -10.269 1.00 0.00 C ATOM 133 CD1 ILE A 9 82.184 5.992 -11.245 1.00 0.00 C ATOM 0 H ILE A 9 80.875 2.734 -12.208 1.00 0.00 H new ATOM 0 HA ILE A 9 83.644 2.290 -12.536 1.00 0.00 H new ATOM 0 HB ILE A 9 82.025 3.581 -10.292 1.00 0.00 H new ATOM 0 HG12 ILE A 9 83.573 4.947 -12.531 1.00 0.00 H new ATOM 0 HG13 ILE A 9 81.902 4.466 -12.750 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.154 4.727 -9.729 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.316 2.963 -9.563 1.00 0.00 H new ATOM 0 HG23 ILE A 9 84.992 3.789 -10.987 1.00 0.00 H new ATOM 0 HD11 ILE A 9 82.041 6.811 -11.950 1.00 0.00 H new ATOM 0 HD12 ILE A 9 81.244 5.784 -10.735 1.00 0.00 H new ATOM 0 HD13 ILE A 9 82.940 6.272 -10.512 1.00 0.00 H new ATOM 145 N PHE A 10 82.151 0.459 -10.310 1.00 0.00 N ATOM 146 CA PHE A 10 82.348 -0.625 -9.351 1.00 0.00 C ATOM 147 C PHE A 10 82.814 -1.909 -10.039 1.00 0.00 C ATOM 148 O PHE A 10 83.807 -2.512 -9.631 1.00 0.00 O ATOM 149 CB PHE A 10 81.041 -0.892 -8.595 1.00 0.00 C ATOM 150 CG PHE A 10 81.020 -2.324 -8.113 1.00 0.00 C ATOM 151 CD1 PHE A 10 80.514 -3.330 -8.943 1.00 0.00 C ATOM 152 CD2 PHE A 10 81.518 -2.646 -6.846 1.00 0.00 C ATOM 153 CE1 PHE A 10 80.509 -4.660 -8.509 1.00 0.00 C ATOM 154 CE2 PHE A 10 81.511 -3.976 -6.410 1.00 0.00 C ATOM 155 CZ PHE A 10 81.006 -4.984 -7.243 1.00 0.00 C ATOM 0 H PHE A 10 81.179 0.637 -10.561 1.00 0.00 H new ATOM 0 HA PHE A 10 83.125 -0.316 -8.652 1.00 0.00 H new ATOM 0 HB2 PHE A 10 80.953 -0.211 -7.748 1.00 0.00 H new ATOM 0 HB3 PHE A 10 80.187 -0.704 -9.246 1.00 0.00 H new ATOM 0 HD1 PHE A 10 80.127 -3.080 -9.920 1.00 0.00 H new ATOM 0 HD2 PHE A 10 81.908 -1.869 -6.205 1.00 0.00 H new ATOM 0 HE1 PHE A 10 80.121 -5.436 -9.152 1.00 0.00 H new ATOM 0 HE2 PHE A 10 81.895 -4.226 -5.432 1.00 0.00 H new ATOM 0 HZ PHE A 10 81.001 -6.010 -6.907 1.00 0.00 H new ATOM 165 N VAL A 11 82.084 -2.334 -11.064 1.00 0.00 N ATOM 166 CA VAL A 11 82.424 -3.563 -11.773 1.00 0.00 C ATOM 167 C VAL A 11 83.858 -3.533 -12.272 1.00 0.00 C ATOM 168 O VAL A 11 84.499 -4.574 -12.412 1.00 0.00 O ATOM 169 CB VAL A 11 81.489 -3.772 -12.965 1.00 0.00 C ATOM 170 CG1 VAL A 11 80.062 -3.980 -12.467 1.00 0.00 C ATOM 171 CG2 VAL A 11 81.533 -2.542 -13.871 1.00 0.00 C ATOM 0 H VAL A 11 81.260 -1.851 -11.421 1.00 0.00 H new ATOM 0 HA VAL A 11 82.311 -4.386 -11.067 1.00 0.00 H new ATOM 0 HB VAL A 11 81.811 -4.650 -13.525 1.00 0.00 H new ATOM 0 HG11 VAL A 11 79.398 -4.129 -13.318 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.026 -4.857 -11.821 1.00 0.00 H new ATOM 0 HG13 VAL A 11 79.741 -3.103 -11.905 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.866 -2.692 -14.720 1.00 0.00 H new ATOM 0 HG22 VAL A 11 81.213 -1.665 -13.309 1.00 0.00 H new ATOM 0 HG23 VAL A 11 82.551 -2.391 -14.231 1.00 0.00 H new ATOM 181 N GLN A 12 84.347 -2.341 -12.575 1.00 0.00 N ATOM 182 CA GLN A 12 85.704 -2.209 -13.097 1.00 0.00 C ATOM 183 C GLN A 12 86.729 -1.869 -12.009 1.00 0.00 C ATOM 184 O GLN A 12 87.919 -2.128 -12.187 1.00 0.00 O ATOM 185 CB GLN A 12 85.731 -1.131 -14.180 1.00 0.00 C ATOM 186 CG GLN A 12 85.473 0.241 -13.558 1.00 0.00 C ATOM 187 CD GLN A 12 85.289 1.271 -14.664 1.00 0.00 C ATOM 188 OE1 GLN A 12 85.005 2.437 -14.390 1.00 0.00 O ATOM 189 NE2 GLN A 12 85.441 0.908 -15.908 1.00 0.00 N ATOM 0 H GLN A 12 83.838 -1.463 -12.472 1.00 0.00 H new ATOM 0 HA GLN A 12 85.985 -3.177 -13.512 1.00 0.00 H new ATOM 0 HB2 GLN A 12 86.697 -1.135 -14.685 1.00 0.00 H new ATOM 0 HB3 GLN A 12 84.976 -1.345 -14.936 1.00 0.00 H new ATOM 0 HG2 GLN A 12 84.585 0.205 -12.928 1.00 0.00 H new ATOM 0 HG3 GLN A 12 86.308 0.525 -12.917 1.00 0.00 H new ATOM 0 HE21 GLN A 12 85.676 -0.059 -16.132 1.00 0.00 H new ATOM 0 HE22 GLN A 12 85.325 1.591 -16.656 1.00 0.00 H new ATOM 198 N LYS A 13 86.287 -1.267 -10.905 1.00 0.00 N ATOM 199 CA LYS A 13 87.229 -0.884 -9.842 1.00 0.00 C ATOM 200 C LYS A 13 87.238 -1.846 -8.646 1.00 0.00 C ATOM 201 O LYS A 13 88.274 -2.428 -8.330 1.00 0.00 O ATOM 202 CB LYS A 13 86.911 0.526 -9.331 1.00 0.00 C ATOM 203 CG LYS A 13 87.216 1.567 -10.422 1.00 0.00 C ATOM 204 CD LYS A 13 87.607 2.901 -9.774 1.00 0.00 C ATOM 205 CE LYS A 13 89.104 2.898 -9.448 1.00 0.00 C ATOM 206 NZ LYS A 13 89.493 4.225 -8.889 1.00 0.00 N1+ ATOM 0 H LYS A 13 85.311 -1.037 -10.721 1.00 0.00 H new ATOM 0 HA LYS A 13 88.217 -0.922 -10.300 1.00 0.00 H new ATOM 0 HB2 LYS A 13 85.862 0.588 -9.042 1.00 0.00 H new ATOM 0 HB3 LYS A 13 87.501 0.739 -8.439 1.00 0.00 H new ATOM 0 HG2 LYS A 13 88.025 1.212 -11.060 1.00 0.00 H new ATOM 0 HG3 LYS A 13 86.343 1.704 -11.060 1.00 0.00 H new ATOM 0 HD2 LYS A 13 87.373 3.726 -10.447 1.00 0.00 H new ATOM 0 HD3 LYS A 13 87.027 3.058 -8.864 1.00 0.00 H new ATOM 0 HE2 LYS A 13 89.329 2.109 -8.731 1.00 0.00 H new ATOM 0 HE3 LYS A 13 89.683 2.686 -10.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 90.502 4.213 -8.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 89.323 4.965 -9.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 88.926 4.424 -8.041 1.00 0.00 H new ATOM 220 N CYS A 14 86.113 -1.949 -7.941 1.00 0.00 N ATOM 221 CA CYS A 14 86.052 -2.776 -6.729 1.00 0.00 C ATOM 222 C CYS A 14 85.727 -4.248 -6.985 1.00 0.00 C ATOM 223 O CYS A 14 86.229 -5.119 -6.276 1.00 0.00 O ATOM 224 CB CYS A 14 85.023 -2.180 -5.766 1.00 0.00 C ATOM 225 SG CYS A 14 84.984 -0.374 -5.951 1.00 0.00 S ATOM 0 H CYS A 14 85.240 -1.479 -8.180 1.00 0.00 H new ATOM 0 HA CYS A 14 87.053 -2.764 -6.298 1.00 0.00 H new ATOM 0 HB2 CYS A 14 84.037 -2.597 -5.969 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.276 -2.444 -4.739 1.00 0.00 H new ATOM 0 HG CYS A 14 84.107 0.127 -5.133 1.00 0.00 H new ATOM 230 N ALA A 15 84.888 -4.537 -7.965 1.00 0.00 N ATOM 231 CA ALA A 15 84.529 -5.929 -8.234 1.00 0.00 C ATOM 232 C ALA A 15 85.777 -6.810 -8.289 1.00 0.00 C ATOM 233 O ALA A 15 85.713 -8.009 -8.020 1.00 0.00 O ATOM 234 CB ALA A 15 83.771 -6.030 -9.556 1.00 0.00 C ATOM 0 H ALA A 15 84.449 -3.849 -8.577 1.00 0.00 H new ATOM 0 HA ALA A 15 83.890 -6.279 -7.423 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.509 -7.071 -9.746 1.00 0.00 H new ATOM 0 HB2 ALA A 15 82.862 -5.431 -9.501 1.00 0.00 H new ATOM 0 HB3 ALA A 15 84.401 -5.661 -10.366 1.00 0.00 H new ATOM 240 N GLN A 16 86.905 -6.207 -8.645 1.00 0.00 N ATOM 241 CA GLN A 16 88.162 -6.946 -8.744 1.00 0.00 C ATOM 242 C GLN A 16 88.406 -7.822 -7.512 1.00 0.00 C ATOM 243 O GLN A 16 88.423 -9.048 -7.616 1.00 0.00 O ATOM 244 CB GLN A 16 89.329 -5.966 -8.919 1.00 0.00 C ATOM 245 CG GLN A 16 89.471 -5.586 -10.396 1.00 0.00 C ATOM 246 CD GLN A 16 90.685 -4.683 -10.589 1.00 0.00 C ATOM 247 OE1 GLN A 16 91.580 -5.003 -11.371 1.00 0.00 O ATOM 248 NE2 GLN A 16 90.770 -3.567 -9.918 1.00 0.00 N ATOM 0 H GLN A 16 86.977 -5.215 -8.869 1.00 0.00 H new ATOM 0 HA GLN A 16 88.093 -7.601 -9.612 1.00 0.00 H new ATOM 0 HB2 GLN A 16 89.158 -5.072 -8.319 1.00 0.00 H new ATOM 0 HB3 GLN A 16 90.253 -6.419 -8.560 1.00 0.00 H new ATOM 0 HG2 GLN A 16 89.577 -6.485 -11.003 1.00 0.00 H new ATOM 0 HG3 GLN A 16 88.570 -5.076 -10.737 1.00 0.00 H new ATOM 0 HE21 GLN A 16 90.027 -3.303 -9.270 1.00 0.00 H new ATOM 0 HE22 GLN A 16 91.579 -2.958 -10.041 1.00 0.00 H new ATOM 257 N CYS A 17 88.619 -7.193 -6.352 1.00 0.00 N ATOM 258 CA CYS A 17 88.890 -7.949 -5.123 1.00 0.00 C ATOM 259 C CYS A 17 87.792 -7.746 -4.074 1.00 0.00 C ATOM 260 O CYS A 17 88.088 -7.524 -2.900 1.00 0.00 O ATOM 261 CB CYS A 17 90.243 -7.518 -4.528 1.00 0.00 C ATOM 262 SG CYS A 17 91.269 -6.755 -5.814 1.00 0.00 S ATOM 0 H CYS A 17 88.610 -6.180 -6.237 1.00 0.00 H new ATOM 0 HA CYS A 17 88.916 -9.006 -5.390 1.00 0.00 H new ATOM 0 HB2 CYS A 17 90.083 -6.813 -3.712 1.00 0.00 H new ATOM 0 HB3 CYS A 17 90.756 -8.382 -4.106 1.00 0.00 H new ATOM 0 HG CYS A 17 92.408 -6.392 -5.302 1.00 0.00 H new ATOM 267 N HIS A 18 86.530 -7.836 -4.486 1.00 0.00 N ATOM 268 CA HIS A 18 85.426 -7.668 -3.538 1.00 0.00 C ATOM 269 C HIS A 18 84.174 -8.399 -4.017 1.00 0.00 C ATOM 270 O HIS A 18 84.173 -9.024 -5.078 1.00 0.00 O ATOM 271 CB HIS A 18 85.110 -6.183 -3.348 1.00 0.00 C ATOM 272 CG HIS A 18 86.146 -5.548 -2.457 1.00 0.00 C ATOM 273 ND1 HIS A 18 86.760 -6.232 -1.415 1.00 0.00 N ATOM 274 CD2 HIS A 18 86.682 -4.287 -2.441 1.00 0.00 C ATOM 275 CE1 HIS A 18 87.622 -5.381 -0.823 1.00 0.00 C ATOM 276 NE2 HIS A 18 87.611 -4.183 -1.413 1.00 0.00 N ATOM 0 H HIS A 18 86.247 -8.020 -5.449 1.00 0.00 H new ATOM 0 HA HIS A 18 85.737 -8.097 -2.585 1.00 0.00 H new ATOM 0 HB2 HIS A 18 85.091 -5.680 -4.315 1.00 0.00 H new ATOM 0 HB3 HIS A 18 84.119 -6.066 -2.909 1.00 0.00 H new ATOM 0 HD2 HIS A 18 86.421 -3.493 -3.125 1.00 0.00 H new ATOM 0 HE1 HIS A 18 88.244 -5.636 0.023 1.00 0.00 H new ATOM 0 HE2 HIS A 18 88.167 -3.365 -1.162 1.00 0.00 H new ATOM 284 N THR A 19 83.112 -8.319 -3.216 1.00 0.00 N ATOM 285 CA THR A 19 81.851 -8.979 -3.547 1.00 0.00 C ATOM 286 C THR A 19 80.675 -8.019 -3.347 1.00 0.00 C ATOM 287 O THR A 19 79.720 -8.019 -4.124 1.00 0.00 O ATOM 288 CB THR A 19 81.679 -10.216 -2.654 1.00 0.00 C ATOM 289 OG1 THR A 19 82.844 -10.379 -1.858 1.00 0.00 O ATOM 290 CG2 THR A 19 81.481 -11.462 -3.519 1.00 0.00 C ATOM 0 H THR A 19 83.100 -7.805 -2.335 1.00 0.00 H new ATOM 0 HA THR A 19 81.870 -9.283 -4.594 1.00 0.00 H new ATOM 0 HB THR A 19 80.806 -10.082 -2.016 1.00 0.00 H new ATOM 0 HG1 THR A 19 83.047 -11.333 -1.767 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.360 -12.335 -2.877 1.00 0.00 H new ATOM 0 HG22 THR A 19 80.591 -11.339 -4.136 1.00 0.00 H new ATOM 0 HG23 THR A 19 82.351 -11.601 -4.161 1.00 0.00 H new ATOM 298 N VAL A 20 80.762 -7.204 -2.301 1.00 0.00 N ATOM 299 CA VAL A 20 79.718 -6.230 -1.991 1.00 0.00 C ATOM 300 C VAL A 20 78.320 -6.819 -2.165 1.00 0.00 C ATOM 301 O VAL A 20 77.381 -6.106 -2.520 1.00 0.00 O ATOM 302 CB VAL A 20 79.874 -4.988 -2.875 1.00 0.00 C ATOM 303 CG1 VAL A 20 81.303 -4.454 -2.755 1.00 0.00 C ATOM 304 CG2 VAL A 20 79.595 -5.344 -4.335 1.00 0.00 C ATOM 0 H VAL A 20 81.548 -7.198 -1.650 1.00 0.00 H new ATOM 0 HA VAL A 20 79.833 -5.950 -0.944 1.00 0.00 H new ATOM 0 HB VAL A 20 79.164 -4.229 -2.547 1.00 0.00 H new ATOM 0 HG11 VAL A 20 81.415 -3.570 -3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 20 81.507 -4.190 -1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 20 82.006 -5.221 -3.079 1.00 0.00 H new ATOM 0 HG21 VAL A 20 79.709 -4.454 -4.955 1.00 0.00 H new ATOM 0 HG22 VAL A 20 80.299 -6.108 -4.664 1.00 0.00 H new ATOM 0 HG23 VAL A 20 78.578 -5.724 -4.429 1.00 0.00 H new ATOM 314 N GLU A 21 78.180 -8.116 -1.904 1.00 0.00 N ATOM 315 CA GLU A 21 76.880 -8.775 -2.030 1.00 0.00 C ATOM 316 C GLU A 21 76.553 -9.559 -0.762 1.00 0.00 C ATOM 317 O GLU A 21 77.330 -10.409 -0.327 1.00 0.00 O ATOM 318 CB GLU A 21 76.881 -9.715 -3.240 1.00 0.00 C ATOM 319 CG GLU A 21 77.704 -10.966 -2.927 1.00 0.00 C ATOM 320 CD GLU A 21 78.107 -11.663 -4.223 1.00 0.00 C ATOM 321 OE1 GLU A 21 78.532 -10.974 -5.136 1.00 0.00 O1- ATOM 322 OE2 GLU A 21 77.984 -12.875 -4.283 1.00 0.00 O ATOM 0 H GLU A 21 78.941 -8.727 -1.607 1.00 0.00 H new ATOM 0 HA GLU A 21 76.117 -8.010 -2.174 1.00 0.00 H new ATOM 0 HB2 GLU A 21 75.859 -9.996 -3.494 1.00 0.00 H new ATOM 0 HB3 GLU A 21 77.296 -9.204 -4.108 1.00 0.00 H new ATOM 0 HG2 GLU A 21 78.594 -10.693 -2.359 1.00 0.00 H new ATOM 0 HG3 GLU A 21 77.124 -11.646 -2.304 1.00 0.00 H new ATOM 329 N LYS A 22 75.401 -9.258 -0.172 1.00 0.00 N ATOM 330 CA LYS A 22 74.977 -9.932 1.052 1.00 0.00 C ATOM 331 C LYS A 22 75.189 -11.440 0.944 1.00 0.00 C ATOM 332 O LYS A 22 75.061 -12.020 -0.134 1.00 0.00 O ATOM 333 CB LYS A 22 73.497 -9.638 1.323 1.00 0.00 C ATOM 334 CG LYS A 22 73.177 -9.890 2.803 1.00 0.00 C ATOM 335 CD LYS A 22 73.446 -8.620 3.616 1.00 0.00 C ATOM 336 CE LYS A 22 73.062 -8.858 5.077 1.00 0.00 C ATOM 337 NZ LYS A 22 72.981 -7.551 5.789 1.00 0.00 N1+ ATOM 0 H LYS A 22 74.747 -8.556 -0.518 1.00 0.00 H new ATOM 0 HA LYS A 22 75.581 -9.555 1.877 1.00 0.00 H new ATOM 0 HB2 LYS A 22 73.269 -8.604 1.064 1.00 0.00 H new ATOM 0 HB3 LYS A 22 72.870 -10.270 0.694 1.00 0.00 H new ATOM 0 HG2 LYS A 22 72.135 -10.189 2.913 1.00 0.00 H new ATOM 0 HG3 LYS A 22 73.786 -10.711 3.182 1.00 0.00 H new ATOM 0 HD2 LYS A 22 74.499 -8.347 3.546 1.00 0.00 H new ATOM 0 HD3 LYS A 22 72.873 -7.787 3.209 1.00 0.00 H new ATOM 0 HE2 LYS A 22 72.104 -9.375 5.133 1.00 0.00 H new ATOM 0 HE3 LYS A 22 73.799 -9.501 5.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 72.720 -7.713 6.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 73.905 -7.075 5.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 72.262 -6.952 5.335 1.00 0.00 H new ATOM 351 N GLY A 23 75.509 -12.065 2.073 1.00 0.00 N ATOM 352 CA GLY A 23 75.735 -13.507 2.105 1.00 0.00 C ATOM 353 C GLY A 23 76.544 -13.968 0.898 1.00 0.00 C ATOM 354 O GLY A 23 76.309 -15.048 0.357 1.00 0.00 O ATOM 0 H GLY A 23 75.617 -11.599 2.974 1.00 0.00 H new ATOM 0 HA2 GLY A 23 76.261 -13.775 3.022 1.00 0.00 H new ATOM 0 HA3 GLY A 23 74.777 -14.027 2.124 1.00 0.00 H new ATOM 358 N GLY A 24 77.502 -13.145 0.480 1.00 0.00 N ATOM 359 CA GLY A 24 78.340 -13.484 -0.663 1.00 0.00 C ATOM 360 C GLY A 24 79.480 -14.406 -0.250 1.00 0.00 C ATOM 361 O GLY A 24 79.289 -15.337 0.532 1.00 0.00 O ATOM 0 H GLY A 24 77.715 -12.246 0.912 1.00 0.00 H new ATOM 0 HA2 GLY A 24 77.736 -13.968 -1.430 1.00 0.00 H new ATOM 0 HA3 GLY A 24 78.746 -12.573 -1.104 1.00 0.00 H new ATOM 365 N LYS A 25 80.667 -14.136 -0.781 1.00 0.00 N ATOM 366 CA LYS A 25 81.840 -14.941 -0.465 1.00 0.00 C ATOM 367 C LYS A 25 83.110 -14.103 -0.582 1.00 0.00 C ATOM 368 O LYS A 25 83.473 -13.650 -1.666 1.00 0.00 O ATOM 369 CB LYS A 25 81.919 -16.148 -1.408 1.00 0.00 C ATOM 370 CG LYS A 25 82.330 -15.691 -2.814 1.00 0.00 C ATOM 371 CD LYS A 25 81.876 -16.726 -3.853 1.00 0.00 C ATOM 372 CE LYS A 25 80.429 -16.446 -4.273 1.00 0.00 C ATOM 373 NZ LYS A 25 80.061 -17.339 -5.408 1.00 0.00 N1+ ATOM 0 H LYS A 25 80.842 -13.369 -1.430 1.00 0.00 H new ATOM 0 HA LYS A 25 81.751 -15.296 0.562 1.00 0.00 H new ATOM 0 HB2 LYS A 25 82.640 -16.871 -1.027 1.00 0.00 H new ATOM 0 HB3 LYS A 25 80.953 -16.652 -1.448 1.00 0.00 H new ATOM 0 HG2 LYS A 25 81.885 -14.721 -3.035 1.00 0.00 H new ATOM 0 HG3 LYS A 25 83.411 -15.564 -2.863 1.00 0.00 H new ATOM 0 HD2 LYS A 25 82.530 -16.690 -4.724 1.00 0.00 H new ATOM 0 HD3 LYS A 25 81.955 -17.730 -3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 25 79.756 -16.613 -3.432 1.00 0.00 H new ATOM 0 HE3 LYS A 25 80.320 -15.402 -4.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 79.079 -17.150 -5.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 80.696 -17.159 -6.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 80.150 -18.332 -5.112 1.00 0.00 H new ATOM 387 N HIS A 26 83.780 -13.895 0.547 1.00 0.00 N ATOM 388 CA HIS A 26 85.006 -13.108 0.561 1.00 0.00 C ATOM 389 C HIS A 26 86.010 -13.663 -0.445 1.00 0.00 C ATOM 390 O HIS A 26 86.362 -14.842 -0.400 1.00 0.00 O ATOM 391 CB HIS A 26 85.620 -13.125 1.963 1.00 0.00 C ATOM 392 CG HIS A 26 84.523 -13.088 2.991 1.00 0.00 C ATOM 393 ND1 HIS A 26 83.281 -12.533 2.727 1.00 0.00 N ATOM 394 CD2 HIS A 26 84.466 -13.536 4.288 1.00 0.00 C ATOM 395 CE1 HIS A 26 82.535 -12.660 3.841 1.00 0.00 C ATOM 396 NE2 HIS A 26 83.211 -13.264 4.822 1.00 0.00 N ATOM 0 H HIS A 26 83.497 -14.258 1.457 1.00 0.00 H new ATOM 0 HA HIS A 26 84.762 -12.082 0.284 1.00 0.00 H new ATOM 0 HB2 HIS A 26 86.227 -14.021 2.095 1.00 0.00 H new ATOM 0 HB3 HIS A 26 86.283 -12.269 2.092 1.00 0.00 H new ATOM 0 HD2 HIS A 26 85.273 -14.025 4.813 1.00 0.00 H new ATOM 0 HE1 HIS A 26 81.515 -12.316 3.930 1.00 0.00 H new ATOM 0 HE2 HIS A 26 82.878 -13.480 5.762 1.00 0.00 H new ATOM 405 N LYS A 27 86.466 -12.803 -1.349 1.00 0.00 N ATOM 406 CA LYS A 27 87.433 -13.208 -2.367 1.00 0.00 C ATOM 407 C LYS A 27 88.551 -12.177 -2.473 1.00 0.00 C ATOM 408 O LYS A 27 88.298 -11.000 -2.727 1.00 0.00 O ATOM 409 CB LYS A 27 86.733 -13.352 -3.722 1.00 0.00 C ATOM 410 CG LYS A 27 85.695 -12.237 -3.884 1.00 0.00 C ATOM 411 CD LYS A 27 85.323 -12.091 -5.361 1.00 0.00 C ATOM 412 CE LYS A 27 84.811 -13.430 -5.898 1.00 0.00 C ATOM 413 NZ LYS A 27 84.033 -13.201 -7.148 1.00 0.00 N1+ ATOM 0 H LYS A 27 86.184 -11.824 -1.399 1.00 0.00 H new ATOM 0 HA LYS A 27 87.863 -14.167 -2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 27 87.465 -13.302 -4.528 1.00 0.00 H new ATOM 0 HB3 LYS A 27 86.249 -14.326 -3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 27 84.806 -12.466 -3.296 1.00 0.00 H new ATOM 0 HG3 LYS A 27 86.095 -11.297 -3.505 1.00 0.00 H new ATOM 0 HD2 LYS A 27 84.558 -11.324 -5.479 1.00 0.00 H new ATOM 0 HD3 LYS A 27 86.191 -11.766 -5.934 1.00 0.00 H new ATOM 0 HE2 LYS A 27 85.649 -14.098 -6.096 1.00 0.00 H new ATOM 0 HE3 LYS A 27 84.184 -13.917 -5.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 83.685 -14.111 -7.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 83.225 -12.578 -6.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 84.645 -12.754 -7.860 1.00 0.00 H new ATOM 427 N THR A 28 89.786 -12.626 -2.277 1.00 0.00 N ATOM 428 CA THR A 28 90.932 -11.727 -2.352 1.00 0.00 C ATOM 429 C THR A 28 90.628 -10.422 -1.621 1.00 0.00 C ATOM 430 O THR A 28 91.174 -9.369 -1.947 1.00 0.00 O ATOM 431 CB THR A 28 91.268 -11.434 -3.818 1.00 0.00 C ATOM 432 OG1 THR A 28 91.098 -12.619 -4.583 1.00 0.00 O ATOM 433 CG2 THR A 28 92.719 -10.957 -3.934 1.00 0.00 C ATOM 0 H THR A 28 90.018 -13.597 -2.067 1.00 0.00 H new ATOM 0 HA THR A 28 91.787 -12.207 -1.876 1.00 0.00 H new ATOM 0 HB THR A 28 90.604 -10.655 -4.192 1.00 0.00 H new ATOM 0 HG1 THR A 28 91.310 -12.435 -5.522 1.00 0.00 H new ATOM 0 HG21 THR A 28 92.952 -10.750 -4.979 1.00 0.00 H new ATOM 0 HG22 THR A 28 92.851 -10.049 -3.346 1.00 0.00 H new ATOM 0 HG23 THR A 28 93.388 -11.732 -3.560 1.00 0.00 H new ATOM 441 N GLY A 29 89.748 -10.506 -0.629 1.00 0.00 N ATOM 442 CA GLY A 29 89.368 -9.334 0.150 1.00 0.00 C ATOM 443 C GLY A 29 88.078 -9.599 0.923 1.00 0.00 C ATOM 444 O GLY A 29 87.290 -10.467 0.548 1.00 0.00 O ATOM 0 H GLY A 29 89.286 -11.370 -0.346 1.00 0.00 H new ATOM 0 HA2 GLY A 29 90.168 -9.077 0.844 1.00 0.00 H new ATOM 0 HA3 GLY A 29 89.233 -8.479 -0.512 1.00 0.00 H new ATOM 448 N PRO A 30 87.850 -8.874 1.987 1.00 0.00 N ATOM 449 CA PRO A 30 86.626 -9.041 2.826 1.00 0.00 C ATOM 450 C PRO A 30 85.373 -8.513 2.130 1.00 0.00 C ATOM 451 O PRO A 30 85.455 -7.859 1.090 1.00 0.00 O ATOM 452 CB PRO A 30 86.939 -8.226 4.084 1.00 0.00 C ATOM 453 CG PRO A 30 87.914 -7.186 3.641 1.00 0.00 C ATOM 454 CD PRO A 30 88.731 -7.817 2.511 1.00 0.00 C ATOM 0 HA PRO A 30 86.410 -10.089 3.033 1.00 0.00 H new ATOM 0 HB2 PRO A 30 86.037 -7.772 4.494 1.00 0.00 H new ATOM 0 HB3 PRO A 30 87.363 -8.856 4.866 1.00 0.00 H new ATOM 0 HG2 PRO A 30 87.397 -6.291 3.294 1.00 0.00 H new ATOM 0 HG3 PRO A 30 88.560 -6.882 4.465 1.00 0.00 H new ATOM 0 HD2 PRO A 30 88.980 -7.086 1.742 1.00 0.00 H new ATOM 0 HD3 PRO A 30 89.672 -8.226 2.878 1.00 0.00 H new ATOM 462 N ASN A 31 84.216 -8.802 2.716 1.00 0.00 N ATOM 463 CA ASN A 31 82.947 -8.352 2.155 1.00 0.00 C ATOM 464 C ASN A 31 82.595 -6.968 2.694 1.00 0.00 C ATOM 465 O ASN A 31 83.136 -6.540 3.712 1.00 0.00 O ATOM 466 CB ASN A 31 81.838 -9.345 2.522 1.00 0.00 C ATOM 467 CG ASN A 31 81.394 -9.129 3.967 1.00 0.00 C ATOM 468 OD1 ASN A 31 80.570 -8.258 4.241 1.00 0.00 O ATOM 469 ND2 ASN A 31 81.898 -9.876 4.912 1.00 0.00 N ATOM 0 H ASN A 31 84.130 -9.344 3.576 1.00 0.00 H new ATOM 0 HA ASN A 31 83.040 -8.297 1.070 1.00 0.00 H new ATOM 0 HB2 ASN A 31 80.989 -9.218 1.850 1.00 0.00 H new ATOM 0 HB3 ASN A 31 82.197 -10.366 2.393 1.00 0.00 H new ATOM 0 HD21 ASN A 31 81.608 -9.738 5.880 1.00 0.00 H new ATOM 0 HD22 ASN A 31 82.581 -10.598 4.682 1.00 0.00 H new ATOM 476 N LEU A 32 81.688 -6.275 2.012 1.00 0.00 N ATOM 477 CA LEU A 32 81.270 -4.939 2.442 1.00 0.00 C ATOM 478 C LEU A 32 79.789 -4.942 2.816 1.00 0.00 C ATOM 479 O LEU A 32 79.073 -3.976 2.552 1.00 0.00 O ATOM 480 CB LEU A 32 81.492 -3.906 1.327 1.00 0.00 C ATOM 481 CG LEU A 32 82.921 -3.980 0.769 1.00 0.00 C ATOM 482 CD1 LEU A 32 83.188 -2.726 -0.068 1.00 0.00 C ATOM 483 CD2 LEU A 32 83.943 -4.044 1.909 1.00 0.00 C ATOM 0 H LEU A 32 81.230 -6.611 1.165 1.00 0.00 H new ATOM 0 HA LEU A 32 81.874 -4.669 3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 32 80.777 -4.078 0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 32 81.303 -2.905 1.714 1.00 0.00 H new ATOM 0 HG LEU A 32 83.018 -4.878 0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 32 84.200 -2.766 -0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 32 82.473 -2.677 -0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 32 83.081 -1.841 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 32 84.949 -4.096 1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 32 83.852 -3.152 2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 32 83.755 -4.929 2.517 1.00 0.00 H new ATOM 495 N HIS A 33 79.336 -6.030 3.430 1.00 0.00 N ATOM 496 CA HIS A 33 77.935 -6.139 3.833 1.00 0.00 C ATOM 497 C HIS A 33 77.593 -5.073 4.869 1.00 0.00 C ATOM 498 O HIS A 33 78.395 -4.787 5.758 1.00 0.00 O ATOM 499 CB HIS A 33 77.666 -7.526 4.417 1.00 0.00 C ATOM 500 CG HIS A 33 78.098 -8.580 3.434 1.00 0.00 C ATOM 501 ND1 HIS A 33 78.445 -9.862 3.829 1.00 0.00 N ATOM 502 CD2 HIS A 33 78.242 -8.556 2.069 1.00 0.00 C ATOM 503 CE1 HIS A 33 78.778 -10.551 2.722 1.00 0.00 C ATOM 504 NE2 HIS A 33 78.671 -9.802 1.621 1.00 0.00 N ATOM 0 H HIS A 33 79.910 -6.842 3.658 1.00 0.00 H new ATOM 0 HA HIS A 33 77.310 -5.989 2.953 1.00 0.00 H new ATOM 0 HB2 HIS A 33 78.206 -7.647 5.356 1.00 0.00 H new ATOM 0 HB3 HIS A 33 76.605 -7.637 4.642 1.00 0.00 H new ATOM 0 HD2 HIS A 33 78.051 -7.700 1.438 1.00 0.00 H new ATOM 0 HE1 HIS A 33 79.093 -11.584 2.724 1.00 0.00 H new ATOM 0 HE2 HIS A 33 78.862 -10.083 0.659 1.00 0.00 H new ATOM 513 N GLY A 34 76.402 -4.487 4.749 1.00 0.00 N ATOM 514 CA GLY A 34 75.973 -3.449 5.686 1.00 0.00 C ATOM 515 C GLY A 34 77.158 -2.594 6.121 1.00 0.00 C ATOM 516 O GLY A 34 77.207 -2.101 7.249 1.00 0.00 O ATOM 0 H GLY A 34 75.724 -4.710 4.021 1.00 0.00 H new ATOM 0 HA2 GLY A 34 75.216 -2.820 5.218 1.00 0.00 H new ATOM 0 HA3 GLY A 34 75.510 -3.909 6.559 1.00 0.00 H new ATOM 520 N LEU A 35 78.113 -2.437 5.215 1.00 0.00 N ATOM 521 CA LEU A 35 79.312 -1.657 5.489 1.00 0.00 C ATOM 522 C LEU A 35 78.964 -0.345 6.191 1.00 0.00 C ATOM 523 O LEU A 35 79.451 -0.058 7.282 1.00 0.00 O ATOM 524 CB LEU A 35 80.026 -1.365 4.163 1.00 0.00 C ATOM 525 CG LEU A 35 81.253 -0.461 4.390 1.00 0.00 C ATOM 526 CD1 LEU A 35 82.507 -1.321 4.579 1.00 0.00 C ATOM 527 CD2 LEU A 35 81.451 0.454 3.175 1.00 0.00 C ATOM 0 H LEU A 35 78.080 -2.842 4.279 1.00 0.00 H new ATOM 0 HA LEU A 35 79.964 -2.229 6.149 1.00 0.00 H new ATOM 0 HB2 LEU A 35 80.339 -2.301 3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.336 -0.882 3.472 1.00 0.00 H new ATOM 0 HG LEU A 35 81.088 0.142 5.283 1.00 0.00 H new ATOM 0 HD11 LEU A 35 83.370 -0.675 4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 35 82.375 -1.971 5.444 1.00 0.00 H new ATOM 0 HD13 LEU A 35 82.669 -1.929 3.689 1.00 0.00 H new ATOM 0 HD21 LEU A 35 82.319 1.092 3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 35 81.609 -0.154 2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 35 80.565 1.074 3.038 1.00 0.00 H new ATOM 539 N PHE A 36 78.129 0.452 5.550 1.00 0.00 N ATOM 540 CA PHE A 36 77.736 1.740 6.109 1.00 0.00 C ATOM 541 C PHE A 36 77.149 1.586 7.510 1.00 0.00 C ATOM 542 O PHE A 36 75.942 1.406 7.669 1.00 0.00 O ATOM 543 CB PHE A 36 76.712 2.414 5.189 1.00 0.00 C ATOM 544 CG PHE A 36 77.218 2.384 3.763 1.00 0.00 C ATOM 545 CD1 PHE A 36 77.058 1.228 2.987 1.00 0.00 C ATOM 546 CD2 PHE A 36 77.855 3.507 3.219 1.00 0.00 C ATOM 547 CE1 PHE A 36 77.536 1.195 1.672 1.00 0.00 C ATOM 548 CE2 PHE A 36 78.333 3.472 1.906 1.00 0.00 C ATOM 549 CZ PHE A 36 78.175 2.317 1.132 1.00 0.00 C ATOM 0 H PHE A 36 77.710 0.235 4.646 1.00 0.00 H new ATOM 0 HA PHE A 36 78.629 2.361 6.184 1.00 0.00 H new ATOM 0 HB2 PHE A 36 75.753 1.900 5.257 1.00 0.00 H new ATOM 0 HB3 PHE A 36 76.545 3.444 5.505 1.00 0.00 H new ATOM 0 HD1 PHE A 36 76.565 0.362 3.404 1.00 0.00 H new ATOM 0 HD2 PHE A 36 77.977 4.400 3.814 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.412 0.304 1.074 1.00 0.00 H new ATOM 0 HE2 PHE A 36 78.825 4.338 1.488 1.00 0.00 H new ATOM 0 HZ PHE A 36 78.546 2.291 0.118 1.00 0.00 H new ATOM 559 N GLY A 37 78.008 1.680 8.531 1.00 0.00 N ATOM 560 CA GLY A 37 77.545 1.570 9.915 1.00 0.00 C ATOM 561 C GLY A 37 78.519 0.794 10.805 1.00 0.00 C ATOM 562 O GLY A 37 78.548 0.999 12.019 1.00 0.00 O ATOM 0 H GLY A 37 79.012 1.830 8.427 1.00 0.00 H new ATOM 0 HA2 GLY A 37 77.401 2.569 10.326 1.00 0.00 H new ATOM 0 HA3 GLY A 37 76.573 1.076 9.930 1.00 0.00 H new ATOM 566 N ARG A 38 79.300 -0.107 10.214 1.00 0.00 N ATOM 567 CA ARG A 38 80.246 -0.909 11.000 1.00 0.00 C ATOM 568 C ARG A 38 81.606 -0.218 11.119 1.00 0.00 C ATOM 569 O ARG A 38 82.026 0.515 10.223 1.00 0.00 O ATOM 570 CB ARG A 38 80.431 -2.289 10.350 1.00 0.00 C ATOM 571 CG ARG A 38 79.570 -3.341 11.064 1.00 0.00 C ATOM 572 CD ARG A 38 80.003 -4.743 10.622 1.00 0.00 C ATOM 573 NE ARG A 38 79.409 -5.073 9.330 1.00 0.00 N ATOM 574 CZ ARG A 38 79.984 -5.941 8.500 1.00 0.00 C ATOM 575 NH1 ARG A 38 81.106 -6.525 8.828 1.00 0.00 N ATOM 576 NH2 ARG A 38 79.424 -6.215 7.355 1.00 0.00 N1+ ATOM 0 H ARG A 38 79.301 -0.301 9.213 1.00 0.00 H new ATOM 0 HA ARG A 38 79.831 -1.022 12.001 1.00 0.00 H new ATOM 0 HB2 ARG A 38 80.157 -2.241 9.296 1.00 0.00 H new ATOM 0 HB3 ARG A 38 81.481 -2.580 10.393 1.00 0.00 H new ATOM 0 HG2 ARG A 38 79.675 -3.240 12.144 1.00 0.00 H new ATOM 0 HG3 ARG A 38 78.517 -3.184 10.830 1.00 0.00 H new ATOM 0 HD2 ARG A 38 81.090 -4.790 10.553 1.00 0.00 H new ATOM 0 HD3 ARG A 38 79.699 -5.477 11.368 1.00 0.00 H new ATOM 0 HE ARG A 38 78.533 -4.628 9.057 1.00 0.00 H new ATOM 0 HH11 ARG A 38 81.546 -6.317 9.724 1.00 0.00 H new ATOM 0 HH12 ARG A 38 81.541 -7.189 8.188 1.00 0.00 H new ATOM 0 HH21 ARG A 38 78.546 -5.765 7.096 1.00 0.00 H new ATOM 0 HH22 ARG A 38 79.864 -6.880 6.718 1.00 0.00 H new ATOM 590 N LYS A 39 82.290 -0.472 12.236 1.00 0.00 N ATOM 591 CA LYS A 39 83.605 0.114 12.484 1.00 0.00 C ATOM 592 C LYS A 39 84.658 -0.503 11.564 1.00 0.00 C ATOM 593 O LYS A 39 84.408 -1.516 10.912 1.00 0.00 O ATOM 594 CB LYS A 39 84.004 -0.107 13.949 1.00 0.00 C ATOM 595 CG LYS A 39 83.501 1.059 14.813 1.00 0.00 C ATOM 596 CD LYS A 39 84.522 2.202 14.792 1.00 0.00 C ATOM 597 CE LYS A 39 84.069 3.309 15.746 1.00 0.00 C ATOM 598 NZ LYS A 39 84.861 4.544 15.485 1.00 0.00 N1+ ATOM 0 H LYS A 39 81.953 -1.080 12.983 1.00 0.00 H new ATOM 0 HA LYS A 39 83.550 1.183 12.278 1.00 0.00 H new ATOM 0 HB2 LYS A 39 83.585 -1.046 14.311 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.088 -0.190 14.031 1.00 0.00 H new ATOM 0 HG2 LYS A 39 82.540 1.412 14.439 1.00 0.00 H new ATOM 0 HG3 LYS A 39 83.341 0.722 15.837 1.00 0.00 H new ATOM 0 HD2 LYS A 39 85.504 1.832 15.087 1.00 0.00 H new ATOM 0 HD3 LYS A 39 84.621 2.597 13.781 1.00 0.00 H new ATOM 0 HE2 LYS A 39 83.006 3.510 15.609 1.00 0.00 H new ATOM 0 HE3 LYS A 39 84.202 2.990 16.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 84.664 5.246 16.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 85.875 4.313 15.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 84.597 4.936 14.559 1.00 0.00 H new ATOM 612 N THR A 40 85.835 0.120 11.514 1.00 0.00 N ATOM 613 CA THR A 40 86.919 -0.368 10.666 1.00 0.00 C ATOM 614 C THR A 40 87.435 -1.722 11.142 1.00 0.00 C ATOM 615 O THR A 40 87.519 -1.983 12.342 1.00 0.00 O ATOM 616 CB THR A 40 88.068 0.645 10.651 1.00 0.00 C ATOM 617 OG1 THR A 40 88.361 1.048 11.980 1.00 0.00 O ATOM 618 CG2 THR A 40 87.663 1.868 9.825 1.00 0.00 C ATOM 0 H THR A 40 86.060 0.959 12.048 1.00 0.00 H new ATOM 0 HA THR A 40 86.524 -0.491 9.658 1.00 0.00 H new ATOM 0 HB THR A 40 88.951 0.184 10.207 1.00 0.00 H new ATOM 0 HG1 THR A 40 89.029 0.443 12.365 1.00 0.00 H new ATOM 0 HG21 THR A 40 88.481 2.588 9.815 1.00 0.00 H new ATOM 0 HG22 THR A 40 87.439 1.559 8.804 1.00 0.00 H new ATOM 0 HG23 THR A 40 86.780 2.329 10.267 1.00 0.00 H new ATOM 626 N GLY A 41 87.788 -2.575 10.182 1.00 0.00 N ATOM 627 CA GLY A 41 88.308 -3.900 10.496 1.00 0.00 C ATOM 628 C GLY A 41 87.412 -4.633 11.487 1.00 0.00 C ATOM 629 O GLY A 41 87.883 -5.139 12.505 1.00 0.00 O ATOM 0 H GLY A 41 87.723 -2.371 9.185 1.00 0.00 H new ATOM 0 HA2 GLY A 41 88.393 -4.485 9.580 1.00 0.00 H new ATOM 0 HA3 GLY A 41 89.312 -3.809 10.911 1.00 0.00 H new ATOM 633 N GLN A 42 86.120 -4.684 11.185 1.00 0.00 N ATOM 634 CA GLN A 42 85.168 -5.361 12.064 1.00 0.00 C ATOM 635 C GLN A 42 84.727 -6.690 11.462 1.00 0.00 C ATOM 636 O GLN A 42 84.219 -7.562 12.168 1.00 0.00 O ATOM 637 CB GLN A 42 83.942 -4.474 12.291 1.00 0.00 C ATOM 638 CG GLN A 42 82.924 -5.228 13.151 1.00 0.00 C ATOM 639 CD GLN A 42 81.887 -4.259 13.706 1.00 0.00 C ATOM 640 OE1 GLN A 42 81.117 -4.616 14.597 1.00 0.00 O ATOM 641 NE2 GLN A 42 81.823 -3.046 13.233 1.00 0.00 N ATOM 0 H GLN A 42 85.709 -4.270 10.348 1.00 0.00 H new ATOM 0 HA GLN A 42 85.662 -5.553 13.017 1.00 0.00 H new ATOM 0 HB2 GLN A 42 84.236 -3.547 12.784 1.00 0.00 H new ATOM 0 HB3 GLN A 42 83.495 -4.199 11.335 1.00 0.00 H new ATOM 0 HG2 GLN A 42 82.432 -5.997 12.556 1.00 0.00 H new ATOM 0 HG3 GLN A 42 83.433 -5.736 13.970 1.00 0.00 H new ATOM 0 HE21 GLN A 42 82.462 -2.752 12.494 1.00 0.00 H new ATOM 0 HE22 GLN A 42 81.134 -2.391 13.601 1.00 0.00 H new ATOM 701 N THR A 47 91.871 -11.267 7.457 1.00 0.00 N ATOM 702 CA THR A 47 92.783 -10.815 8.502 1.00 0.00 C ATOM 703 C THR A 47 93.049 -9.321 8.359 1.00 0.00 C ATOM 704 O THR A 47 94.058 -8.909 7.785 1.00 0.00 O ATOM 705 CB THR A 47 94.103 -11.584 8.410 1.00 0.00 C ATOM 706 OG1 THR A 47 93.833 -12.969 8.243 1.00 0.00 O ATOM 707 CG2 THR A 47 94.911 -11.369 9.690 1.00 0.00 C ATOM 0 HA THR A 47 92.324 -11.002 9.473 1.00 0.00 H new ATOM 0 HB THR A 47 94.676 -11.221 7.557 1.00 0.00 H new ATOM 0 HG1 THR A 47 92.983 -13.082 7.768 1.00 0.00 H new ATOM 0 HG21 THR A 47 95.851 -11.917 9.623 1.00 0.00 H new ATOM 0 HG22 THR A 47 95.119 -10.306 9.815 1.00 0.00 H new ATOM 0 HG23 THR A 47 94.340 -11.730 10.546 1.00 0.00 H new ATOM 715 N TYR A 48 92.130 -8.519 8.880 1.00 0.00 N ATOM 716 CA TYR A 48 92.255 -7.068 8.806 1.00 0.00 C ATOM 717 C TYR A 48 93.560 -6.599 9.436 1.00 0.00 C ATOM 718 O TYR A 48 94.124 -7.269 10.301 1.00 0.00 O ATOM 719 CB TYR A 48 91.067 -6.414 9.519 1.00 0.00 C ATOM 720 CG TYR A 48 89.937 -6.228 8.542 1.00 0.00 C ATOM 721 CD1 TYR A 48 89.916 -5.101 7.715 1.00 0.00 C ATOM 722 CD2 TYR A 48 88.914 -7.177 8.463 1.00 0.00 C ATOM 723 CE1 TYR A 48 88.868 -4.921 6.810 1.00 0.00 C ATOM 724 CE2 TYR A 48 87.864 -6.997 7.556 1.00 0.00 C ATOM 725 CZ TYR A 48 87.841 -5.867 6.730 1.00 0.00 C ATOM 726 OH TYR A 48 86.804 -5.688 5.840 1.00 0.00 O ATOM 0 H TYR A 48 91.291 -8.847 9.358 1.00 0.00 H new ATOM 0 HA TYR A 48 92.260 -6.774 7.756 1.00 0.00 H new ATOM 0 HB2 TYR A 48 90.742 -7.036 10.353 1.00 0.00 H new ATOM 0 HB3 TYR A 48 91.364 -5.452 9.936 1.00 0.00 H new ATOM 0 HD1 TYR A 48 90.709 -4.371 7.776 1.00 0.00 H new ATOM 0 HD2 TYR A 48 88.934 -8.048 9.101 1.00 0.00 H new ATOM 0 HE1 TYR A 48 88.850 -4.050 6.171 1.00 0.00 H new ATOM 0 HE2 TYR A 48 87.072 -7.729 7.493 1.00 0.00 H new ATOM 0 HH TYR A 48 87.048 -4.999 5.187 1.00 0.00 H new ATOM 736 N THR A 49 94.033 -5.439 8.992 1.00 0.00 N ATOM 737 CA THR A 49 95.274 -4.878 9.511 1.00 0.00 C ATOM 738 C THR A 49 95.023 -4.144 10.824 1.00 0.00 C ATOM 739 O THR A 49 93.910 -3.693 11.092 1.00 0.00 O ATOM 740 CB THR A 49 95.873 -3.907 8.493 1.00 0.00 C ATOM 741 OG1 THR A 49 94.961 -2.842 8.263 1.00 0.00 O ATOM 742 CG2 THR A 49 96.146 -4.642 7.177 1.00 0.00 C ATOM 0 H THR A 49 93.578 -4.872 8.277 1.00 0.00 H new ATOM 0 HA THR A 49 95.972 -5.696 9.691 1.00 0.00 H new ATOM 0 HB THR A 49 96.809 -3.507 8.882 1.00 0.00 H new ATOM 0 HG1 THR A 49 95.454 -1.998 8.194 1.00 0.00 H new ATOM 0 HG21 THR A 49 96.573 -3.947 6.454 1.00 0.00 H new ATOM 0 HG22 THR A 49 96.847 -5.457 7.354 1.00 0.00 H new ATOM 0 HG23 THR A 49 95.212 -5.045 6.785 1.00 0.00 H new ATOM 750 N ASP A 50 96.066 -4.027 11.638 1.00 0.00 N ATOM 751 CA ASP A 50 95.950 -3.343 12.919 1.00 0.00 C ATOM 752 C ASP A 50 95.274 -1.988 12.743 1.00 0.00 C ATOM 753 O ASP A 50 94.363 -1.634 13.491 1.00 0.00 O ATOM 754 CB ASP A 50 97.337 -3.142 13.530 1.00 0.00 C ATOM 755 CG ASP A 50 98.298 -2.612 12.471 1.00 0.00 C ATOM 756 OD1 ASP A 50 98.583 -3.343 11.537 1.00 0.00 O ATOM 757 OD2 ASP A 50 98.735 -1.481 12.609 1.00 0.00 O1- ATOM 0 H ASP A 50 96.996 -4.395 11.435 1.00 0.00 H new ATOM 0 HA ASP A 50 95.343 -3.958 13.584 1.00 0.00 H new ATOM 0 HB2 ASP A 50 97.279 -2.442 14.364 1.00 0.00 H new ATOM 0 HB3 ASP A 50 97.708 -4.085 13.931 1.00 0.00 H new ATOM 762 N ALA A 51 95.730 -1.236 11.750 1.00 0.00 N ATOM 763 CA ALA A 51 95.169 0.082 11.480 1.00 0.00 C ATOM 764 C ALA A 51 93.654 0.004 11.317 1.00 0.00 C ATOM 765 O ALA A 51 92.928 0.890 11.762 1.00 0.00 O ATOM 766 CB ALA A 51 95.791 0.662 10.211 1.00 0.00 C ATOM 0 H ALA A 51 96.483 -1.514 11.121 1.00 0.00 H new ATOM 0 HA ALA A 51 95.395 0.730 12.327 1.00 0.00 H new ATOM 0 HB1 ALA A 51 95.367 1.647 10.015 1.00 0.00 H new ATOM 0 HB2 ALA A 51 96.869 0.751 10.342 1.00 0.00 H new ATOM 0 HB3 ALA A 51 95.581 0.003 9.369 1.00 0.00 H new ATOM 772 N ASN A 52 93.182 -1.060 10.677 1.00 0.00 N ATOM 773 CA ASN A 52 91.749 -1.236 10.464 1.00 0.00 C ATOM 774 C ASN A 52 91.088 -1.805 11.718 1.00 0.00 C ATOM 775 O ASN A 52 89.907 -1.568 11.973 1.00 0.00 O ATOM 776 CB ASN A 52 91.513 -2.180 9.278 1.00 0.00 C ATOM 777 CG ASN A 52 91.435 -1.386 7.977 1.00 0.00 C ATOM 778 OD1 ASN A 52 92.117 -0.374 7.824 1.00 0.00 O ATOM 779 ND2 ASN A 52 90.639 -1.793 7.026 1.00 0.00 N ATOM 0 H ASN A 52 93.764 -1.808 10.299 1.00 0.00 H new ATOM 0 HA ASN A 52 91.306 -0.264 10.247 1.00 0.00 H new ATOM 0 HB2 ASN A 52 92.321 -2.910 9.219 1.00 0.00 H new ATOM 0 HB3 ASN A 52 90.589 -2.739 9.427 1.00 0.00 H new ATOM 0 HD21 ASN A 52 90.581 -1.271 6.152 1.00 0.00 H new ATOM 0 HD22 ASN A 52 90.075 -2.633 7.157 1.00 0.00 H new ATOM 786 N LYS A 53 91.861 -2.550 12.500 1.00 0.00 N ATOM 787 CA LYS A 53 91.351 -3.144 13.725 1.00 0.00 C ATOM 788 C LYS A 53 91.446 -2.131 14.859 1.00 0.00 C ATOM 789 O LYS A 53 90.867 -2.316 15.929 1.00 0.00 O ATOM 790 CB LYS A 53 92.164 -4.409 14.049 1.00 0.00 C ATOM 791 CG LYS A 53 92.258 -4.617 15.563 1.00 0.00 C ATOM 792 CD LYS A 53 92.862 -5.991 15.852 1.00 0.00 C ATOM 793 CE LYS A 53 92.755 -6.293 17.348 1.00 0.00 C ATOM 794 NZ LYS A 53 93.530 -7.526 17.664 1.00 0.00 N1+ ATOM 0 H LYS A 53 92.841 -2.755 12.306 1.00 0.00 H new ATOM 0 HA LYS A 53 90.305 -3.423 13.600 1.00 0.00 H new ATOM 0 HB2 LYS A 53 91.696 -5.277 13.586 1.00 0.00 H new ATOM 0 HB3 LYS A 53 93.165 -4.323 13.626 1.00 0.00 H new ATOM 0 HG2 LYS A 53 92.873 -3.836 16.011 1.00 0.00 H new ATOM 0 HG3 LYS A 53 91.268 -4.541 16.013 1.00 0.00 H new ATOM 0 HD2 LYS A 53 92.341 -6.757 15.278 1.00 0.00 H new ATOM 0 HD3 LYS A 53 93.906 -6.014 15.540 1.00 0.00 H new ATOM 0 HE2 LYS A 53 93.137 -5.452 17.927 1.00 0.00 H new ATOM 0 HE3 LYS A 53 91.710 -6.426 17.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 93.457 -7.731 18.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 93.146 -8.326 17.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 94.528 -7.383 17.411 1.00 0.00 H new ATOM 808 N ASN A 54 92.178 -1.054 14.607 1.00 0.00 N ATOM 809 CA ASN A 54 92.347 -0.010 15.605 1.00 0.00 C ATOM 810 C ASN A 54 91.014 0.664 15.891 1.00 0.00 C ATOM 811 O ASN A 54 90.840 1.319 16.919 1.00 0.00 O ATOM 812 CB ASN A 54 93.350 1.025 15.095 1.00 0.00 C ATOM 813 CG ASN A 54 92.642 2.122 14.301 1.00 0.00 C ATOM 814 OD1 ASN A 54 92.994 3.295 14.417 1.00 0.00 O ATOM 815 ND2 ASN A 54 91.664 1.808 13.499 1.00 0.00 N ATOM 0 H ASN A 54 92.661 -0.882 13.725 1.00 0.00 H new ATOM 0 HA ASN A 54 92.720 -0.456 16.527 1.00 0.00 H new ATOM 0 HB2 ASN A 54 93.884 1.466 15.937 1.00 0.00 H new ATOM 0 HB3 ASN A 54 94.094 0.537 14.466 1.00 0.00 H new ATOM 0 HD21 ASN A 54 91.188 2.536 12.965 1.00 0.00 H new ATOM 0 HD22 ASN A 54 91.374 0.835 13.405 1.00 0.00 H new ATOM 822 N LYS A 55 90.080 0.493 14.970 1.00 0.00 N ATOM 823 CA LYS A 55 88.754 1.086 15.119 1.00 0.00 C ATOM 824 C LYS A 55 88.866 2.593 15.318 1.00 0.00 C ATOM 825 O LYS A 55 88.512 3.118 16.374 1.00 0.00 O ATOM 826 CB LYS A 55 88.035 0.466 16.319 1.00 0.00 C ATOM 827 CG LYS A 55 87.657 -0.982 15.998 1.00 0.00 C ATOM 828 CD LYS A 55 86.766 -1.538 17.113 1.00 0.00 C ATOM 829 CE LYS A 55 87.530 -1.524 18.441 1.00 0.00 C ATOM 830 NZ LYS A 55 87.389 -0.185 19.081 1.00 0.00 N1+ ATOM 0 H LYS A 55 90.210 -0.048 14.115 1.00 0.00 H new ATOM 0 HA LYS A 55 88.183 0.888 14.212 1.00 0.00 H new ATOM 0 HB2 LYS A 55 88.679 0.498 17.198 1.00 0.00 H new ATOM 0 HB3 LYS A 55 87.141 1.042 16.557 1.00 0.00 H new ATOM 0 HG2 LYS A 55 87.134 -1.029 15.043 1.00 0.00 H new ATOM 0 HG3 LYS A 55 88.556 -1.590 15.899 1.00 0.00 H new ATOM 0 HD2 LYS A 55 85.858 -0.940 17.198 1.00 0.00 H new ATOM 0 HD3 LYS A 55 86.457 -2.555 16.871 1.00 0.00 H new ATOM 0 HE2 LYS A 55 87.143 -2.298 19.104 1.00 0.00 H new ATOM 0 HE3 LYS A 55 88.583 -1.748 18.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 88.326 0.257 19.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 86.777 0.417 18.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 86.965 -0.294 20.025 1.00 0.00 H new ATOM 844 N GLY A 56 89.368 3.284 14.300 1.00 0.00 N ATOM 845 CA GLY A 56 89.532 4.732 14.378 1.00 0.00 C ATOM 846 C GLY A 56 88.253 5.459 13.975 1.00 0.00 C ATOM 847 O GLY A 56 87.877 6.456 14.590 1.00 0.00 O ATOM 0 H GLY A 56 89.667 2.869 13.417 1.00 0.00 H new ATOM 0 HA2 GLY A 56 89.808 5.014 15.394 1.00 0.00 H new ATOM 0 HA3 GLY A 56 90.349 5.043 13.727 1.00 0.00 H new ATOM 851 N ILE A 57 87.589 4.957 12.939 1.00 0.00 N ATOM 852 CA ILE A 57 86.355 5.574 12.466 1.00 0.00 C ATOM 853 C ILE A 57 85.380 4.511 11.968 1.00 0.00 C ATOM 854 O ILE A 57 85.728 3.335 11.874 1.00 0.00 O ATOM 855 CB ILE A 57 86.664 6.567 11.341 1.00 0.00 C ATOM 856 CG1 ILE A 57 87.171 5.812 10.102 1.00 0.00 C ATOM 857 CG2 ILE A 57 87.743 7.544 11.815 1.00 0.00 C ATOM 858 CD1 ILE A 57 85.992 5.248 9.294 1.00 0.00 C ATOM 0 H ILE A 57 87.881 4.132 12.415 1.00 0.00 H new ATOM 0 HA ILE A 57 85.893 6.106 13.298 1.00 0.00 H new ATOM 0 HB ILE A 57 85.757 7.113 11.082 1.00 0.00 H new ATOM 0 HG12 ILE A 57 87.760 6.483 9.476 1.00 0.00 H new ATOM 0 HG13 ILE A 57 87.831 5.000 10.409 1.00 0.00 H new ATOM 0 HG21 ILE A 57 87.967 8.253 11.018 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.385 8.084 12.692 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.646 6.991 12.073 1.00 0.00 H new ATOM 0 HD11 ILE A 57 86.370 4.717 8.421 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.420 4.561 9.917 1.00 0.00 H new ATOM 0 HD13 ILE A 57 85.348 6.066 8.970 1.00 0.00 H new ATOM 870 N THR A 58 84.157 4.934 11.659 1.00 0.00 N ATOM 871 CA THR A 58 83.133 4.009 11.180 1.00 0.00 C ATOM 872 C THR A 58 82.827 4.244 9.707 1.00 0.00 C ATOM 873 O THR A 58 82.769 5.385 9.249 1.00 0.00 O ATOM 874 CB THR A 58 81.852 4.185 12.002 1.00 0.00 C ATOM 875 OG1 THR A 58 82.095 3.787 13.344 1.00 0.00 O ATOM 876 CG2 THR A 58 80.735 3.326 11.406 1.00 0.00 C ATOM 0 H THR A 58 83.852 5.905 11.731 1.00 0.00 H new ATOM 0 HA THR A 58 83.511 2.993 11.296 1.00 0.00 H new ATOM 0 HB THR A 58 81.549 5.232 11.982 1.00 0.00 H new ATOM 0 HG1 THR A 58 81.277 3.900 13.872 1.00 0.00 H new ATOM 0 HG21 THR A 58 79.825 3.453 11.993 1.00 0.00 H new ATOM 0 HG22 THR A 58 80.549 3.634 10.377 1.00 0.00 H new ATOM 0 HG23 THR A 58 81.034 2.278 11.423 1.00 0.00 H new ATOM 884 N TRP A 59 82.621 3.155 8.969 1.00 0.00 N ATOM 885 CA TRP A 59 82.309 3.266 7.550 1.00 0.00 C ATOM 886 C TRP A 59 80.991 4.007 7.365 1.00 0.00 C ATOM 887 O TRP A 59 80.020 3.760 8.081 1.00 0.00 O ATOM 888 CB TRP A 59 82.196 1.881 6.904 1.00 0.00 C ATOM 889 CG TRP A 59 83.329 1.004 7.341 1.00 0.00 C ATOM 890 CD1 TRP A 59 84.617 1.397 7.454 1.00 0.00 C ATOM 891 CD2 TRP A 59 83.297 -0.407 7.711 1.00 0.00 C ATOM 892 NE1 TRP A 59 85.378 0.315 7.866 1.00 0.00 N ATOM 893 CE2 TRP A 59 84.607 -0.816 8.045 1.00 0.00 C ATOM 894 CE3 TRP A 59 82.269 -1.362 7.791 1.00 0.00 C ATOM 895 CZ2 TRP A 59 84.885 -2.126 8.447 1.00 0.00 C ATOM 896 CZ3 TRP A 59 82.546 -2.679 8.190 1.00 0.00 C ATOM 897 CH2 TRP A 59 83.850 -3.058 8.519 1.00 0.00 C ATOM 0 H TRP A 59 82.664 2.200 9.325 1.00 0.00 H new ATOM 0 HA TRP A 59 83.118 3.817 7.069 1.00 0.00 H new ATOM 0 HB2 TRP A 59 81.246 1.422 7.178 1.00 0.00 H new ATOM 0 HB3 TRP A 59 82.201 1.978 5.818 1.00 0.00 H new ATOM 0 HD1 TRP A 59 84.991 2.390 7.256 1.00 0.00 H new ATOM 0 HE1 TRP A 59 86.386 0.350 8.019 1.00 0.00 H new ATOM 0 HE3 TRP A 59 81.256 -1.080 7.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 85.895 -2.414 8.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 81.747 -3.403 8.243 1.00 0.00 H new ATOM 0 HH2 TRP A 59 84.056 -4.072 8.829 1.00 0.00 H new ATOM 908 N LYS A 60 80.966 4.914 6.401 1.00 0.00 N ATOM 909 CA LYS A 60 79.768 5.694 6.119 1.00 0.00 C ATOM 910 C LYS A 60 79.803 6.175 4.673 1.00 0.00 C ATOM 911 O LYS A 60 80.551 5.640 3.858 1.00 0.00 O ATOM 912 CB LYS A 60 79.691 6.896 7.067 1.00 0.00 C ATOM 913 CG LYS A 60 79.467 6.407 8.502 1.00 0.00 C ATOM 914 CD LYS A 60 79.030 7.579 9.387 1.00 0.00 C ATOM 915 CE LYS A 60 80.241 8.455 9.715 1.00 0.00 C ATOM 916 NZ LYS A 60 79.834 9.532 10.661 1.00 0.00 N1+ ATOM 0 H LYS A 60 81.761 5.129 5.800 1.00 0.00 H new ATOM 0 HA LYS A 60 78.888 5.069 6.270 1.00 0.00 H new ATOM 0 HB2 LYS A 60 80.612 7.476 7.010 1.00 0.00 H new ATOM 0 HB3 LYS A 60 78.878 7.557 6.767 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.707 5.626 8.515 1.00 0.00 H new ATOM 0 HG3 LYS A 60 80.384 5.966 8.893 1.00 0.00 H new ATOM 0 HD2 LYS A 60 78.269 8.169 8.876 1.00 0.00 H new ATOM 0 HD3 LYS A 60 78.579 7.205 10.306 1.00 0.00 H new ATOM 0 HE2 LYS A 60 81.033 7.849 10.156 1.00 0.00 H new ATOM 0 HE3 LYS A 60 80.645 8.892 8.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 80.657 10.127 10.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 79.092 10.116 10.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 79.468 9.105 11.536 1.00 0.00 H new ATOM 930 N GLU A 61 78.999 7.182 4.356 1.00 0.00 N ATOM 931 CA GLU A 61 78.970 7.708 2.999 1.00 0.00 C ATOM 932 C GLU A 61 80.199 8.576 2.739 1.00 0.00 C ATOM 933 O GLU A 61 80.982 8.305 1.828 1.00 0.00 O ATOM 934 CB GLU A 61 77.701 8.538 2.787 1.00 0.00 C ATOM 935 CG GLU A 61 77.490 8.780 1.292 1.00 0.00 C ATOM 936 CD GLU A 61 76.173 9.513 1.063 1.00 0.00 C ATOM 937 OE1 GLU A 61 76.154 10.722 1.226 1.00 0.00 O ATOM 938 OE2 GLU A 61 75.201 8.856 0.727 1.00 0.00 O1- ATOM 0 H GLU A 61 78.367 7.645 5.010 1.00 0.00 H new ATOM 0 HA GLU A 61 78.974 6.870 2.302 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.840 8.018 3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 61 77.785 9.490 3.311 1.00 0.00 H new ATOM 0 HG2 GLU A 61 78.316 9.366 0.890 1.00 0.00 H new ATOM 0 HG3 GLU A 61 77.484 7.829 0.759 1.00 0.00 H new ATOM 945 N GLU A 62 80.367 9.617 3.549 1.00 0.00 N ATOM 946 CA GLU A 62 81.504 10.516 3.394 1.00 0.00 C ATOM 947 C GLU A 62 82.809 9.806 3.739 1.00 0.00 C ATOM 948 O GLU A 62 83.790 9.900 3.003 1.00 0.00 O ATOM 949 CB GLU A 62 81.331 11.739 4.298 1.00 0.00 C ATOM 950 CG GLU A 62 79.949 12.354 4.066 1.00 0.00 C ATOM 951 CD GLU A 62 79.840 13.684 4.803 1.00 0.00 C ATOM 952 OE1 GLU A 62 80.641 14.561 4.525 1.00 0.00 O ATOM 953 OE2 GLU A 62 78.956 13.807 5.635 1.00 0.00 O1- ATOM 0 H GLU A 62 79.736 9.857 4.313 1.00 0.00 H new ATOM 0 HA GLU A 62 81.546 10.835 2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 62 81.441 11.450 5.343 1.00 0.00 H new ATOM 0 HB3 GLU A 62 82.108 12.474 4.086 1.00 0.00 H new ATOM 0 HG2 GLU A 62 79.784 12.505 2.999 1.00 0.00 H new ATOM 0 HG3 GLU A 62 79.175 11.671 4.415 1.00 0.00 H new ATOM 960 N THR A 63 82.815 9.092 4.856 1.00 0.00 N ATOM 961 CA THR A 63 84.010 8.371 5.274 1.00 0.00 C ATOM 962 C THR A 63 84.550 7.548 4.116 1.00 0.00 C ATOM 963 O THR A 63 85.762 7.444 3.923 1.00 0.00 O ATOM 964 CB THR A 63 83.685 7.443 6.443 1.00 0.00 C ATOM 965 OG1 THR A 63 82.664 6.538 6.051 1.00 0.00 O ATOM 966 CG2 THR A 63 83.209 8.267 7.632 1.00 0.00 C ATOM 0 H THR A 63 82.016 8.996 5.483 1.00 0.00 H new ATOM 0 HA THR A 63 84.761 9.096 5.588 1.00 0.00 H new ATOM 0 HB THR A 63 84.578 6.886 6.727 1.00 0.00 H new ATOM 0 HG1 THR A 63 83.058 5.803 5.537 1.00 0.00 H new ATOM 0 HG21 THR A 63 82.978 7.603 8.465 1.00 0.00 H new ATOM 0 HG22 THR A 63 83.993 8.963 7.930 1.00 0.00 H new ATOM 0 HG23 THR A 63 82.315 8.825 7.353 1.00 0.00 H new ATOM 974 N LEU A 64 83.639 6.966 3.348 1.00 0.00 N ATOM 975 CA LEU A 64 84.036 6.153 2.209 1.00 0.00 C ATOM 976 C LEU A 64 84.622 7.034 1.109 1.00 0.00 C ATOM 977 O LEU A 64 85.520 6.612 0.384 1.00 0.00 O ATOM 978 CB LEU A 64 82.830 5.379 1.659 1.00 0.00 C ATOM 979 CG LEU A 64 82.923 3.896 2.044 1.00 0.00 C ATOM 980 CD1 LEU A 64 81.570 3.220 1.790 1.00 0.00 C ATOM 981 CD2 LEU A 64 84.007 3.207 1.201 1.00 0.00 C ATOM 0 H LEU A 64 82.632 7.041 3.491 1.00 0.00 H new ATOM 0 HA LEU A 64 84.794 5.443 2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.907 5.806 2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.791 5.478 0.574 1.00 0.00 H new ATOM 0 HG LEU A 64 83.182 3.812 3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.633 2.166 2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.802 3.705 2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.312 3.307 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.069 2.155 1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 64 83.753 3.290 0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.969 3.687 1.382 1.00 0.00 H new ATOM 993 N MET A 65 84.102 8.254 0.981 1.00 0.00 N ATOM 994 CA MET A 65 84.586 9.170 -0.050 1.00 0.00 C ATOM 995 C MET A 65 86.066 9.483 0.142 1.00 0.00 C ATOM 996 O MET A 65 86.876 9.255 -0.755 1.00 0.00 O ATOM 997 CB MET A 65 83.780 10.470 -0.029 1.00 0.00 C ATOM 998 CG MET A 65 82.332 10.168 -0.403 1.00 0.00 C ATOM 999 SD MET A 65 81.306 11.622 -0.072 1.00 0.00 S ATOM 1000 CE MET A 65 81.071 12.129 -1.790 1.00 0.00 C ATOM 0 H MET A 65 83.357 8.627 1.569 1.00 0.00 H new ATOM 0 HA MET A 65 84.457 8.681 -1.015 1.00 0.00 H new ATOM 0 HB2 MET A 65 83.825 10.924 0.961 1.00 0.00 H new ATOM 0 HB3 MET A 65 84.207 11.188 -0.729 1.00 0.00 H new ATOM 0 HG2 MET A 65 82.267 9.896 -1.457 1.00 0.00 H new ATOM 0 HG3 MET A 65 81.968 9.315 0.170 1.00 0.00 H new ATOM 0 HE1 MET A 65 80.454 13.027 -1.823 1.00 0.00 H new ATOM 0 HE2 MET A 65 82.040 12.338 -2.243 1.00 0.00 H new ATOM 0 HE3 MET A 65 80.578 11.329 -2.341 1.00 0.00 H new ATOM 1010 N GLU A 66 86.417 9.997 1.316 1.00 0.00 N ATOM 1011 CA GLU A 66 87.810 10.323 1.597 1.00 0.00 C ATOM 1012 C GLU A 66 88.660 9.064 1.498 1.00 0.00 C ATOM 1013 O GLU A 66 89.834 9.114 1.136 1.00 0.00 O ATOM 1014 CB GLU A 66 87.940 10.925 2.998 1.00 0.00 C ATOM 1015 CG GLU A 66 87.143 12.229 3.071 1.00 0.00 C ATOM 1016 CD GLU A 66 87.768 13.273 2.152 1.00 0.00 C ATOM 1017 OE1 GLU A 66 88.699 13.933 2.585 1.00 0.00 O1- ATOM 1018 OE2 GLU A 66 87.307 13.398 1.030 1.00 0.00 O ATOM 0 H GLU A 66 85.768 10.194 2.077 1.00 0.00 H new ATOM 0 HA GLU A 66 88.157 11.053 0.866 1.00 0.00 H new ATOM 0 HB2 GLU A 66 87.572 10.220 3.744 1.00 0.00 H new ATOM 0 HB3 GLU A 66 88.989 11.114 3.228 1.00 0.00 H new ATOM 0 HG2 GLU A 66 86.108 12.049 2.780 1.00 0.00 H new ATOM 0 HG3 GLU A 66 87.127 12.598 4.096 1.00 0.00 H new ATOM 1025 N TYR A 67 88.047 7.933 1.820 1.00 0.00 N ATOM 1026 CA TYR A 67 88.733 6.649 1.762 1.00 0.00 C ATOM 1027 C TYR A 67 88.818 6.156 0.319 1.00 0.00 C ATOM 1028 O TYR A 67 89.720 5.400 -0.038 1.00 0.00 O ATOM 1029 CB TYR A 67 87.972 5.636 2.622 1.00 0.00 C ATOM 1030 CG TYR A 67 88.514 4.242 2.405 1.00 0.00 C ATOM 1031 CD1 TYR A 67 89.557 3.762 3.205 1.00 0.00 C ATOM 1032 CD2 TYR A 67 87.961 3.424 1.411 1.00 0.00 C ATOM 1033 CE1 TYR A 67 90.048 2.465 3.013 1.00 0.00 C ATOM 1034 CE2 TYR A 67 88.454 2.128 1.217 1.00 0.00 C ATOM 1035 CZ TYR A 67 89.497 1.648 2.018 1.00 0.00 C ATOM 1036 OH TYR A 67 89.982 0.370 1.829 1.00 0.00 O ATOM 0 H TYR A 67 87.075 7.878 2.124 1.00 0.00 H new ATOM 0 HA TYR A 67 89.747 6.764 2.144 1.00 0.00 H new ATOM 0 HB2 TYR A 67 88.059 5.906 3.674 1.00 0.00 H new ATOM 0 HB3 TYR A 67 86.911 5.663 2.372 1.00 0.00 H new ATOM 0 HD1 TYR A 67 89.984 4.393 3.971 1.00 0.00 H new ATOM 0 HD2 TYR A 67 87.155 3.793 0.795 1.00 0.00 H new ATOM 0 HE1 TYR A 67 90.852 2.095 3.632 1.00 0.00 H new ATOM 0 HE2 TYR A 67 88.029 1.498 0.449 1.00 0.00 H new ATOM 0 HH TYR A 67 90.060 0.188 0.869 1.00 0.00 H new ATOM 1046 N LEU A 68 87.862 6.586 -0.501 1.00 0.00 N ATOM 1047 CA LEU A 68 87.817 6.178 -1.903 1.00 0.00 C ATOM 1048 C LEU A 68 88.813 6.976 -2.747 1.00 0.00 C ATOM 1049 O LEU A 68 89.191 6.549 -3.838 1.00 0.00 O ATOM 1050 CB LEU A 68 86.392 6.372 -2.451 1.00 0.00 C ATOM 1051 CG LEU A 68 85.619 5.045 -2.406 1.00 0.00 C ATOM 1052 CD1 LEU A 68 84.149 5.293 -2.751 1.00 0.00 C ATOM 1053 CD2 LEU A 68 86.206 4.059 -3.416 1.00 0.00 C ATOM 0 H LEU A 68 87.110 7.215 -0.220 1.00 0.00 H new ATOM 0 HA LEU A 68 88.094 5.126 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 68 85.868 7.126 -1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 68 86.436 6.741 -3.476 1.00 0.00 H new ATOM 0 HG LEU A 68 85.700 4.628 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 68 83.603 4.350 -2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 68 83.718 5.987 -2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 68 84.077 5.719 -3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 68 85.650 3.122 -3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 68 86.135 4.480 -4.419 1.00 0.00 H new ATOM 0 HD23 LEU A 68 87.252 3.871 -3.175 1.00 0.00 H new ATOM 1065 N GLU A 69 89.233 8.132 -2.243 1.00 0.00 N ATOM 1066 CA GLU A 69 90.183 8.973 -2.973 1.00 0.00 C ATOM 1067 C GLU A 69 91.609 8.703 -2.502 1.00 0.00 C ATOM 1068 O GLU A 69 92.575 9.147 -3.123 1.00 0.00 O ATOM 1069 CB GLU A 69 89.827 10.454 -2.777 1.00 0.00 C ATOM 1070 CG GLU A 69 90.430 10.990 -1.466 1.00 0.00 C ATOM 1071 CD GLU A 69 91.801 11.611 -1.723 1.00 0.00 C ATOM 1072 OE1 GLU A 69 92.310 11.449 -2.821 1.00 0.00 O1- ATOM 1073 OE2 GLU A 69 92.322 12.239 -0.817 1.00 0.00 O ATOM 0 H GLU A 69 88.936 8.507 -1.342 1.00 0.00 H new ATOM 0 HA GLU A 69 90.122 8.731 -4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 69 90.199 11.037 -3.619 1.00 0.00 H new ATOM 0 HB3 GLU A 69 88.744 10.574 -2.760 1.00 0.00 H new ATOM 0 HG2 GLU A 69 89.763 11.734 -1.029 1.00 0.00 H new ATOM 0 HG3 GLU A 69 90.521 10.180 -0.743 1.00 0.00 H new ATOM 1080 N ASN A 70 91.728 7.973 -1.402 1.00 0.00 N ATOM 1081 CA ASN A 70 93.036 7.643 -0.846 1.00 0.00 C ATOM 1082 C ASN A 70 92.883 6.639 0.295 1.00 0.00 C ATOM 1083 O ASN A 70 93.094 6.963 1.463 1.00 0.00 O ATOM 1084 CB ASN A 70 93.723 8.919 -0.344 1.00 0.00 C ATOM 1085 CG ASN A 70 95.239 8.774 -0.433 1.00 0.00 C ATOM 1086 OD1 ASN A 70 95.923 9.680 -0.910 1.00 0.00 O ATOM 1087 ND2 ASN A 70 95.809 7.684 -0.002 1.00 0.00 N ATOM 0 H ASN A 70 90.938 7.598 -0.877 1.00 0.00 H new ATOM 0 HA ASN A 70 93.652 7.193 -1.624 1.00 0.00 H new ATOM 0 HB2 ASN A 70 93.397 9.773 -0.937 1.00 0.00 H new ATOM 0 HB3 ASN A 70 93.430 9.117 0.687 1.00 0.00 H new ATOM 0 HD21 ASN A 70 96.822 7.581 -0.060 1.00 0.00 H new ATOM 0 HD22 ASN A 70 95.242 6.934 0.393 1.00 0.00 H new ATOM 1094 N PRO A 71 92.507 5.433 -0.036 1.00 0.00 N ATOM 1095 CA PRO A 71 92.296 4.340 0.959 1.00 0.00 C ATOM 1096 C PRO A 71 93.464 4.174 1.932 1.00 0.00 C ATOM 1097 O PRO A 71 93.265 3.860 3.105 1.00 0.00 O ATOM 1098 CB PRO A 71 92.143 3.087 0.090 1.00 0.00 C ATOM 1099 CG PRO A 71 91.664 3.579 -1.236 1.00 0.00 C ATOM 1100 CD PRO A 71 92.240 4.983 -1.411 1.00 0.00 C ATOM 0 HA PRO A 71 91.436 4.547 1.596 1.00 0.00 H new ATOM 0 HB2 PRO A 71 93.091 2.558 -0.007 1.00 0.00 H new ATOM 0 HB3 PRO A 71 91.431 2.388 0.530 1.00 0.00 H new ATOM 0 HG2 PRO A 71 91.997 2.920 -2.038 1.00 0.00 H new ATOM 0 HG3 PRO A 71 90.575 3.599 -1.272 1.00 0.00 H new ATOM 0 HD2 PRO A 71 93.150 4.969 -2.010 1.00 0.00 H new ATOM 0 HD3 PRO A 71 91.536 5.643 -1.917 1.00 0.00 H new ATOM 1108 N LYS A 72 94.678 4.358 1.430 1.00 0.00 N ATOM 1109 CA LYS A 72 95.868 4.197 2.259 1.00 0.00 C ATOM 1110 C LYS A 72 96.074 5.380 3.201 1.00 0.00 C ATOM 1111 O LYS A 72 96.342 5.197 4.389 1.00 0.00 O ATOM 1112 CB LYS A 72 97.101 4.051 1.363 1.00 0.00 C ATOM 1113 CG LYS A 72 98.331 3.706 2.224 1.00 0.00 C ATOM 1114 CD LYS A 72 98.862 2.317 1.851 1.00 0.00 C ATOM 1115 CE LYS A 72 97.901 1.241 2.367 1.00 0.00 C ATOM 1116 NZ LYS A 72 97.791 1.344 3.850 1.00 0.00 N1+ ATOM 0 H LYS A 72 94.865 4.617 0.461 1.00 0.00 H new ATOM 0 HA LYS A 72 95.727 3.303 2.866 1.00 0.00 H new ATOM 0 HB2 LYS A 72 96.933 3.270 0.622 1.00 0.00 H new ATOM 0 HB3 LYS A 72 97.276 4.977 0.816 1.00 0.00 H new ATOM 0 HG2 LYS A 72 99.110 4.454 2.075 1.00 0.00 H new ATOM 0 HG3 LYS A 72 98.064 3.730 3.280 1.00 0.00 H new ATOM 0 HD2 LYS A 72 98.967 2.236 0.769 1.00 0.00 H new ATOM 0 HD3 LYS A 72 99.853 2.169 2.280 1.00 0.00 H new ATOM 0 HE2 LYS A 72 96.920 1.365 1.909 1.00 0.00 H new ATOM 0 HE3 LYS A 72 98.261 0.251 2.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 97.386 0.465 4.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 98.735 1.495 4.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 97.175 2.144 4.098 1.00 0.00 H new ATOM 1130 N LYS A 73 95.978 6.587 2.662 1.00 0.00 N ATOM 1131 CA LYS A 73 96.188 7.786 3.464 1.00 0.00 C ATOM 1132 C LYS A 73 95.133 7.931 4.559 1.00 0.00 C ATOM 1133 O LYS A 73 95.411 8.487 5.621 1.00 0.00 O ATOM 1134 CB LYS A 73 96.167 9.025 2.564 1.00 0.00 C ATOM 1135 CG LYS A 73 96.529 10.275 3.385 1.00 0.00 C ATOM 1136 CD LYS A 73 95.262 11.076 3.700 1.00 0.00 C ATOM 1137 CE LYS A 73 95.568 12.119 4.776 1.00 0.00 C ATOM 1138 NZ LYS A 73 94.510 13.169 4.766 1.00 0.00 N1+ ATOM 0 H LYS A 73 95.758 6.763 1.682 1.00 0.00 H new ATOM 0 HA LYS A 73 97.161 7.693 3.947 1.00 0.00 H new ATOM 0 HB2 LYS A 73 96.874 8.901 1.743 1.00 0.00 H new ATOM 0 HB3 LYS A 73 95.179 9.145 2.119 1.00 0.00 H new ATOM 0 HG2 LYS A 73 97.024 9.982 4.311 1.00 0.00 H new ATOM 0 HG3 LYS A 73 97.233 10.895 2.829 1.00 0.00 H new ATOM 0 HD2 LYS A 73 94.896 11.566 2.798 1.00 0.00 H new ATOM 0 HD3 LYS A 73 94.472 10.407 4.042 1.00 0.00 H new ATOM 0 HE2 LYS A 73 95.614 11.644 5.756 1.00 0.00 H new ATOM 0 HE3 LYS A 73 96.544 12.569 4.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 94.718 13.878 5.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 94.487 13.630 3.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 93.586 12.733 4.960 1.00 0.00 H new ATOM 1152 N TYR A 74 93.922 7.446 4.300 1.00 0.00 N ATOM 1153 CA TYR A 74 92.851 7.554 5.286 1.00 0.00 C ATOM 1154 C TYR A 74 93.152 6.687 6.510 1.00 0.00 C ATOM 1155 O TYR A 74 93.214 7.188 7.632 1.00 0.00 O ATOM 1156 CB TYR A 74 91.513 7.146 4.657 1.00 0.00 C ATOM 1157 CG TYR A 74 90.385 7.906 5.321 1.00 0.00 C ATOM 1158 CD1 TYR A 74 90.318 9.300 5.203 1.00 0.00 C ATOM 1159 CD2 TYR A 74 89.407 7.219 6.053 1.00 0.00 C ATOM 1160 CE1 TYR A 74 89.277 10.006 5.817 1.00 0.00 C ATOM 1161 CE2 TYR A 74 88.365 7.926 6.666 1.00 0.00 C ATOM 1162 CZ TYR A 74 88.301 9.320 6.548 1.00 0.00 C ATOM 1163 OH TYR A 74 87.275 10.015 7.152 1.00 0.00 O ATOM 0 H TYR A 74 93.660 6.982 3.431 1.00 0.00 H new ATOM 0 HA TYR A 74 92.785 8.592 5.613 1.00 0.00 H new ATOM 0 HB2 TYR A 74 91.524 7.354 3.587 1.00 0.00 H new ATOM 0 HB3 TYR A 74 91.358 6.073 4.771 1.00 0.00 H new ATOM 0 HD1 TYR A 74 91.070 9.831 4.638 1.00 0.00 H new ATOM 0 HD2 TYR A 74 89.457 6.144 6.144 1.00 0.00 H new ATOM 0 HE1 TYR A 74 89.227 11.081 5.726 1.00 0.00 H new ATOM 0 HE2 TYR A 74 87.611 7.396 7.230 1.00 0.00 H new ATOM 0 HH TYR A 74 86.684 9.387 7.618 1.00 0.00 H new ATOM 1173 N ILE A 75 93.350 5.388 6.287 1.00 0.00 N ATOM 1174 CA ILE A 75 93.660 4.466 7.381 1.00 0.00 C ATOM 1175 C ILE A 75 94.976 3.740 7.107 1.00 0.00 C ATOM 1176 O ILE A 75 94.986 2.540 6.833 1.00 0.00 O ATOM 1177 CB ILE A 75 92.533 3.441 7.538 1.00 0.00 C ATOM 1178 CG1 ILE A 75 91.184 4.152 7.416 1.00 0.00 C ATOM 1179 CG2 ILE A 75 92.635 2.771 8.911 1.00 0.00 C ATOM 1180 CD1 ILE A 75 90.051 3.148 7.630 1.00 0.00 C ATOM 0 H ILE A 75 93.302 4.952 5.366 1.00 0.00 H new ATOM 0 HA ILE A 75 93.756 5.041 8.302 1.00 0.00 H new ATOM 0 HB ILE A 75 92.619 2.683 6.760 1.00 0.00 H new ATOM 0 HG12 ILE A 75 91.117 4.953 8.152 1.00 0.00 H new ATOM 0 HG13 ILE A 75 91.093 4.614 6.433 1.00 0.00 H new ATOM 0 HG21 ILE A 75 91.832 2.042 9.021 1.00 0.00 H new ATOM 0 HG22 ILE A 75 93.597 2.267 8.999 1.00 0.00 H new ATOM 0 HG23 ILE A 75 92.548 3.527 9.692 1.00 0.00 H new ATOM 0 HD11 ILE A 75 89.092 3.658 7.542 1.00 0.00 H new ATOM 0 HD12 ILE A 75 90.114 2.362 6.877 1.00 0.00 H new ATOM 0 HD13 ILE A 75 90.138 2.707 8.623 1.00 0.00 H new ATOM 1192 N PRO A 76 96.079 4.443 7.174 1.00 0.00 N ATOM 1193 CA PRO A 76 97.428 3.860 6.925 1.00 0.00 C ATOM 1194 C PRO A 76 97.580 2.470 7.538 1.00 0.00 C ATOM 1195 O PRO A 76 97.297 2.267 8.717 1.00 0.00 O ATOM 1196 CB PRO A 76 98.370 4.864 7.590 1.00 0.00 C ATOM 1197 CG PRO A 76 97.668 6.179 7.483 1.00 0.00 C ATOM 1198 CD PRO A 76 96.164 5.879 7.495 1.00 0.00 C ATOM 0 HA PRO A 76 97.628 3.715 5.863 1.00 0.00 H new ATOM 0 HB2 PRO A 76 98.558 4.600 8.631 1.00 0.00 H new ATOM 0 HB3 PRO A 76 99.337 4.891 7.088 1.00 0.00 H new ATOM 0 HG2 PRO A 76 97.939 6.831 8.313 1.00 0.00 H new ATOM 0 HG3 PRO A 76 97.952 6.696 6.566 1.00 0.00 H new ATOM 0 HD2 PRO A 76 95.722 6.096 8.467 1.00 0.00 H new ATOM 0 HD3 PRO A 76 95.631 6.483 6.761 1.00 0.00 H new ATOM 1206 N GLY A 77 98.030 1.519 6.726 1.00 0.00 N ATOM 1207 CA GLY A 77 98.219 0.148 7.192 1.00 0.00 C ATOM 1208 C GLY A 77 97.213 -0.789 6.532 1.00 0.00 C ATOM 1209 O GLY A 77 97.471 -1.983 6.380 1.00 0.00 O ATOM 0 H GLY A 77 98.270 1.670 5.746 1.00 0.00 H new ATOM 0 HA2 GLY A 77 99.233 -0.182 6.966 1.00 0.00 H new ATOM 0 HA3 GLY A 77 98.105 0.108 8.275 1.00 0.00 H new ATOM 1213 N THR A 78 96.068 -0.239 6.139 1.00 0.00 N ATOM 1214 CA THR A 78 95.031 -1.036 5.494 1.00 0.00 C ATOM 1215 C THR A 78 95.596 -1.751 4.271 1.00 0.00 C ATOM 1216 O THR A 78 96.419 -1.198 3.543 1.00 0.00 O ATOM 1217 CB THR A 78 93.872 -0.138 5.069 1.00 0.00 C ATOM 1218 OG1 THR A 78 92.813 -0.939 4.565 1.00 0.00 O ATOM 1219 CG2 THR A 78 94.351 0.821 3.982 1.00 0.00 C ATOM 0 H THR A 78 95.836 0.748 6.255 1.00 0.00 H new ATOM 0 HA THR A 78 94.671 -1.779 6.206 1.00 0.00 H new ATOM 0 HB THR A 78 93.516 0.432 5.927 1.00 0.00 H new ATOM 0 HG1 THR A 78 92.068 -0.363 4.294 1.00 0.00 H new ATOM 0 HG21 THR A 78 93.526 1.464 3.675 1.00 0.00 H new ATOM 0 HG22 THR A 78 95.165 1.434 4.370 1.00 0.00 H new ATOM 0 HG23 THR A 78 94.705 0.250 3.123 1.00 0.00 H new ATOM 1227 N LYS A 79 95.153 -2.986 4.052 1.00 0.00 N ATOM 1228 CA LYS A 79 95.633 -3.763 2.912 1.00 0.00 C ATOM 1229 C LYS A 79 94.777 -3.494 1.674 1.00 0.00 C ATOM 1230 O LYS A 79 93.771 -4.163 1.447 1.00 0.00 O ATOM 1231 CB LYS A 79 95.605 -5.258 3.252 1.00 0.00 C ATOM 1232 CG LYS A 79 96.688 -5.997 2.457 1.00 0.00 C ATOM 1233 CD LYS A 79 96.952 -7.354 3.108 1.00 0.00 C ATOM 1234 CE LYS A 79 98.039 -8.095 2.327 1.00 0.00 C ATOM 1235 NZ LYS A 79 97.624 -8.228 0.902 1.00 0.00 N1+ ATOM 0 H LYS A 79 94.471 -3.466 4.640 1.00 0.00 H new ATOM 0 HA LYS A 79 96.658 -3.461 2.695 1.00 0.00 H new ATOM 0 HB2 LYS A 79 95.767 -5.399 4.321 1.00 0.00 H new ATOM 0 HB3 LYS A 79 94.624 -5.674 3.020 1.00 0.00 H new ATOM 0 HG2 LYS A 79 96.369 -6.132 1.424 1.00 0.00 H new ATOM 0 HG3 LYS A 79 97.604 -5.407 2.433 1.00 0.00 H new ATOM 0 HD2 LYS A 79 97.263 -7.217 4.144 1.00 0.00 H new ATOM 0 HD3 LYS A 79 96.036 -7.945 3.126 1.00 0.00 H new ATOM 0 HE2 LYS A 79 98.983 -7.553 2.393 1.00 0.00 H new ATOM 0 HE3 LYS A 79 98.206 -9.080 2.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 98.164 -8.995 0.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 96.608 -8.446 0.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 97.810 -7.336 0.402 1.00 0.00 H new ATOM 1249 N MET A 80 95.192 -2.515 0.876 1.00 0.00 N ATOM 1250 CA MET A 80 94.462 -2.171 -0.340 1.00 0.00 C ATOM 1251 C MET A 80 95.173 -1.048 -1.090 1.00 0.00 C ATOM 1252 O MET A 80 94.980 0.131 -0.791 1.00 0.00 O ATOM 1253 CB MET A 80 93.033 -1.736 0.001 1.00 0.00 C ATOM 1254 CG MET A 80 92.352 -1.184 -1.254 1.00 0.00 C ATOM 1255 SD MET A 80 90.563 -1.086 -0.985 1.00 0.00 S ATOM 1256 CE MET A 80 90.279 0.439 -1.918 1.00 0.00 C ATOM 0 H MET A 80 96.023 -1.949 1.047 1.00 0.00 H new ATOM 0 HA MET A 80 94.424 -3.055 -0.976 1.00 0.00 H new ATOM 0 HB2 MET A 80 92.468 -2.582 0.392 1.00 0.00 H new ATOM 0 HB3 MET A 80 93.050 -0.976 0.782 1.00 0.00 H new ATOM 0 HG2 MET A 80 92.749 -0.197 -1.490 1.00 0.00 H new ATOM 0 HG3 MET A 80 92.566 -1.826 -2.108 1.00 0.00 H new ATOM 0 HE1 MET A 80 90.063 1.254 -1.227 1.00 0.00 H new ATOM 0 HE2 MET A 80 91.169 0.682 -2.498 1.00 0.00 H new ATOM 0 HE3 MET A 80 89.433 0.301 -2.592 1.00 0.00 H new ATOM 1266 N ILE A 81 95.994 -1.423 -2.067 1.00 0.00 N ATOM 1267 CA ILE A 81 96.731 -0.444 -2.863 1.00 0.00 C ATOM 1268 C ILE A 81 96.168 -0.384 -4.281 1.00 0.00 C ATOM 1269 O ILE A 81 96.490 -1.223 -5.123 1.00 0.00 O ATOM 1270 CB ILE A 81 98.218 -0.819 -2.911 1.00 0.00 C ATOM 1271 CG1 ILE A 81 98.870 -0.517 -1.556 1.00 0.00 C ATOM 1272 CG2 ILE A 81 98.922 -0.003 -4.000 1.00 0.00 C ATOM 1273 CD1 ILE A 81 98.278 -1.422 -0.470 1.00 0.00 C ATOM 0 H ILE A 81 96.166 -2.394 -2.327 1.00 0.00 H new ATOM 0 HA ILE A 81 96.623 0.536 -2.398 1.00 0.00 H new ATOM 0 HB ILE A 81 98.310 -1.882 -3.134 1.00 0.00 H new ATOM 0 HG12 ILE A 81 99.947 -0.671 -1.620 1.00 0.00 H new ATOM 0 HG13 ILE A 81 98.712 0.529 -1.294 1.00 0.00 H new ATOM 0 HG21 ILE A 81 99.978 -0.272 -4.031 1.00 0.00 H new ATOM 0 HG22 ILE A 81 98.465 -0.215 -4.966 1.00 0.00 H new ATOM 0 HG23 ILE A 81 98.825 1.060 -3.778 1.00 0.00 H new ATOM 0 HD11 ILE A 81 98.749 -1.198 0.487 1.00 0.00 H new ATOM 0 HD12 ILE A 81 97.205 -1.247 -0.396 1.00 0.00 H new ATOM 0 HD13 ILE A 81 98.459 -2.466 -0.728 1.00 0.00 H new ATOM 1285 N PHE A 82 95.325 0.612 -4.537 1.00 0.00 N ATOM 1286 CA PHE A 82 94.721 0.772 -5.858 1.00 0.00 C ATOM 1287 C PHE A 82 94.488 2.249 -6.163 1.00 0.00 C ATOM 1288 O PHE A 82 94.291 3.056 -5.254 1.00 0.00 O ATOM 1289 CB PHE A 82 93.390 0.017 -5.917 1.00 0.00 C ATOM 1290 CG PHE A 82 93.027 -0.266 -7.358 1.00 0.00 C ATOM 1291 CD1 PHE A 82 93.718 -1.253 -8.072 1.00 0.00 C ATOM 1292 CD2 PHE A 82 92.001 0.456 -7.979 1.00 0.00 C ATOM 1293 CE1 PHE A 82 93.384 -1.516 -9.406 1.00 0.00 C ATOM 1294 CE2 PHE A 82 91.667 0.193 -9.313 1.00 0.00 C ATOM 1295 CZ PHE A 82 92.357 -0.793 -10.026 1.00 0.00 C ATOM 0 H PHE A 82 95.046 1.316 -3.854 1.00 0.00 H new ATOM 0 HA PHE A 82 95.403 0.363 -6.604 1.00 0.00 H new ATOM 0 HB2 PHE A 82 93.466 -0.917 -5.361 1.00 0.00 H new ATOM 0 HB3 PHE A 82 92.605 0.607 -5.443 1.00 0.00 H new ATOM 0 HD1 PHE A 82 94.509 -1.811 -7.593 1.00 0.00 H new ATOM 0 HD2 PHE A 82 91.467 1.216 -7.429 1.00 0.00 H new ATOM 0 HE1 PHE A 82 93.918 -2.276 -9.957 1.00 0.00 H new ATOM 0 HE2 PHE A 82 90.876 0.752 -9.792 1.00 0.00 H new ATOM 0 HZ PHE A 82 92.098 -0.997 -11.054 1.00 0.00 H new ATOM 1305 N ALA A 83 94.516 2.597 -7.445 1.00 0.00 N ATOM 1306 CA ALA A 83 94.309 3.981 -7.854 1.00 0.00 C ATOM 1307 C ALA A 83 92.998 4.519 -7.290 1.00 0.00 C ATOM 1308 O ALA A 83 91.915 4.107 -7.708 1.00 0.00 O ATOM 1309 CB ALA A 83 94.287 4.077 -9.380 1.00 0.00 C ATOM 0 H ALA A 83 94.679 1.946 -8.213 1.00 0.00 H new ATOM 0 HA ALA A 83 95.131 4.581 -7.464 1.00 0.00 H new ATOM 0 HB1 ALA A 83 94.132 5.114 -9.677 1.00 0.00 H new ATOM 0 HB2 ALA A 83 95.237 3.723 -9.781 1.00 0.00 H new ATOM 0 HB3 ALA A 83 93.476 3.462 -9.772 1.00 0.00 H new ATOM 1315 N GLY A 84 93.103 5.443 -6.341 1.00 0.00 N ATOM 1316 CA GLY A 84 91.917 6.033 -5.729 1.00 0.00 C ATOM 1317 C GLY A 84 91.027 6.677 -6.785 1.00 0.00 C ATOM 1318 O GLY A 84 91.312 6.602 -7.981 1.00 0.00 O ATOM 0 H GLY A 84 93.989 5.798 -5.981 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.358 5.265 -5.195 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.215 6.780 -4.993 1.00 0.00 H new ATOM 1322 N ILE A 85 89.950 7.313 -6.338 1.00 0.00 N ATOM 1323 CA ILE A 85 89.024 7.971 -7.256 1.00 0.00 C ATOM 1324 C ILE A 85 89.522 9.376 -7.588 1.00 0.00 C ATOM 1325 O ILE A 85 90.330 9.945 -6.855 1.00 0.00 O ATOM 1326 CB ILE A 85 87.633 8.043 -6.624 1.00 0.00 C ATOM 1327 CG1 ILE A 85 87.052 6.624 -6.485 1.00 0.00 C ATOM 1328 CG2 ILE A 85 86.710 8.900 -7.495 1.00 0.00 C ATOM 1329 CD1 ILE A 85 86.343 6.204 -7.779 1.00 0.00 C ATOM 0 H ILE A 85 89.696 7.388 -5.353 1.00 0.00 H new ATOM 0 HA ILE A 85 88.967 7.393 -8.178 1.00 0.00 H new ATOM 0 HB ILE A 85 87.711 8.496 -5.636 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.851 5.919 -6.256 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.350 6.592 -5.652 1.00 0.00 H new ATOM 0 HG21 ILE A 85 85.721 8.947 -7.040 1.00 0.00 H new ATOM 0 HG22 ILE A 85 87.120 9.907 -7.578 1.00 0.00 H new ATOM 0 HG23 ILE A 85 86.632 8.457 -8.488 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.939 5.199 -7.662 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.531 6.899 -7.991 1.00 0.00 H new ATOM 0 HD13 ILE A 85 87.055 6.215 -8.604 1.00 0.00 H new ATOM 1341 N LYS A 86 89.048 9.925 -8.705 1.00 0.00 N ATOM 1342 CA LYS A 86 89.468 11.259 -9.128 1.00 0.00 C ATOM 1343 C LYS A 86 88.435 12.320 -8.746 1.00 0.00 C ATOM 1344 O LYS A 86 88.692 13.163 -7.886 1.00 0.00 O ATOM 1345 CB LYS A 86 89.685 11.273 -10.648 1.00 0.00 C ATOM 1346 CG LYS A 86 90.762 12.306 -11.014 1.00 0.00 C ATOM 1347 CD LYS A 86 92.147 11.655 -10.942 1.00 0.00 C ATOM 1348 CE LYS A 86 93.223 12.713 -11.191 1.00 0.00 C ATOM 1349 NZ LYS A 86 94.562 12.059 -11.236 1.00 0.00 N1+ ATOM 0 H LYS A 86 88.379 9.472 -9.328 1.00 0.00 H new ATOM 0 HA LYS A 86 90.401 11.497 -8.617 1.00 0.00 H new ATOM 0 HB2 LYS A 86 89.987 10.283 -10.990 1.00 0.00 H new ATOM 0 HB3 LYS A 86 88.751 11.514 -11.155 1.00 0.00 H new ATOM 0 HG2 LYS A 86 90.583 12.693 -12.017 1.00 0.00 H new ATOM 0 HG3 LYS A 86 90.712 13.155 -10.332 1.00 0.00 H new ATOM 0 HD2 LYS A 86 92.294 11.195 -9.965 1.00 0.00 H new ATOM 0 HD3 LYS A 86 92.226 10.860 -11.683 1.00 0.00 H new ATOM 0 HE2 LYS A 86 93.028 13.232 -12.130 1.00 0.00 H new ATOM 0 HE3 LYS A 86 93.200 13.464 -10.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 95.294 12.778 -11.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 94.747 11.584 -10.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 94.581 11.359 -12.004 1.00 0.00 H new ATOM 1363 N LYS A 87 87.275 12.287 -9.399 1.00 0.00 N ATOM 1364 CA LYS A 87 86.226 13.268 -9.125 1.00 0.00 C ATOM 1365 C LYS A 87 85.367 12.845 -7.936 1.00 0.00 C ATOM 1366 O LYS A 87 85.368 11.682 -7.533 1.00 0.00 O ATOM 1367 CB LYS A 87 85.339 13.439 -10.359 1.00 0.00 C ATOM 1368 CG LYS A 87 86.217 13.526 -11.612 1.00 0.00 C ATOM 1369 CD LYS A 87 85.378 14.012 -12.802 1.00 0.00 C ATOM 1370 CE LYS A 87 85.389 15.544 -12.854 1.00 0.00 C ATOM 1371 NZ LYS A 87 84.347 16.014 -13.810 1.00 0.00 N1+ ATOM 0 H LYS A 87 87.039 11.599 -10.114 1.00 0.00 H new ATOM 0 HA LYS A 87 86.708 14.215 -8.881 1.00 0.00 H new ATOM 0 HB2 LYS A 87 84.649 12.599 -10.443 1.00 0.00 H new ATOM 0 HB3 LYS A 87 84.734 14.340 -10.263 1.00 0.00 H new ATOM 0 HG2 LYS A 87 87.048 14.209 -11.438 1.00 0.00 H new ATOM 0 HG3 LYS A 87 86.648 12.550 -11.834 1.00 0.00 H new ATOM 0 HD2 LYS A 87 85.777 13.605 -13.731 1.00 0.00 H new ATOM 0 HD3 LYS A 87 84.354 13.649 -12.709 1.00 0.00 H new ATOM 0 HE2 LYS A 87 85.200 15.954 -11.862 1.00 0.00 H new ATOM 0 HE3 LYS A 87 86.371 15.901 -13.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 84.353 17.053 -13.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 84.547 15.633 -14.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 83.412 15.684 -13.495 1.00 0.00 H new ATOM 1385 N LYS A 88 84.629 13.802 -7.383 1.00 0.00 N ATOM 1386 CA LYS A 88 83.763 13.521 -6.245 1.00 0.00 C ATOM 1387 C LYS A 88 82.569 12.682 -6.683 1.00 0.00 C ATOM 1388 O LYS A 88 82.270 11.655 -6.077 1.00 0.00 O ATOM 1389 CB LYS A 88 83.269 14.829 -5.623 1.00 0.00 C ATOM 1390 CG LYS A 88 82.624 14.538 -4.262 1.00 0.00 C ATOM 1391 CD LYS A 88 81.777 15.739 -3.822 1.00 0.00 C ATOM 1392 CE LYS A 88 80.358 15.606 -4.382 1.00 0.00 C ATOM 1393 NZ LYS A 88 79.537 16.767 -3.936 1.00 0.00 N1+ ATOM 0 H LYS A 88 84.613 14.771 -7.701 1.00 0.00 H new ATOM 0 HA LYS A 88 84.337 12.965 -5.504 1.00 0.00 H new ATOM 0 HB2 LYS A 88 84.101 15.523 -5.502 1.00 0.00 H new ATOM 0 HB3 LYS A 88 82.547 15.308 -6.284 1.00 0.00 H new ATOM 0 HG2 LYS A 88 82.001 13.646 -4.328 1.00 0.00 H new ATOM 0 HG3 LYS A 88 83.396 14.334 -3.520 1.00 0.00 H new ATOM 0 HD2 LYS A 88 81.745 15.794 -2.734 1.00 0.00 H new ATOM 0 HD3 LYS A 88 82.232 16.665 -4.174 1.00 0.00 H new ATOM 0 HE2 LYS A 88 80.388 15.565 -5.471 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.906 14.675 -4.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 78.573 16.677 -4.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 79.499 16.787 -2.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 79.965 17.649 -4.283 1.00 0.00 H new ATOM 1407 N THR A 89 81.890 13.122 -7.739 1.00 0.00 N ATOM 1408 CA THR A 89 80.732 12.390 -8.237 1.00 0.00 C ATOM 1409 C THR A 89 81.085 10.927 -8.457 1.00 0.00 C ATOM 1410 O THR A 89 80.224 10.054 -8.377 1.00 0.00 O ATOM 1411 CB THR A 89 80.236 12.991 -9.549 1.00 0.00 C ATOM 1412 OG1 THR A 89 81.315 13.081 -10.468 1.00 0.00 O ATOM 1413 CG2 THR A 89 79.660 14.385 -9.291 1.00 0.00 C ATOM 0 H THR A 89 82.118 13.969 -8.259 1.00 0.00 H new ATOM 0 HA THR A 89 79.942 12.464 -7.490 1.00 0.00 H new ATOM 0 HB THR A 89 79.458 12.353 -9.968 1.00 0.00 H new ATOM 0 HG1 THR A 89 80.996 13.465 -11.311 1.00 0.00 H new ATOM 0 HG21 THR A 89 79.307 14.812 -10.230 1.00 0.00 H new ATOM 0 HG22 THR A 89 78.829 14.311 -8.590 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.434 15.026 -8.869 1.00 0.00 H new ATOM 1421 N GLU A 90 82.358 10.659 -8.723 1.00 0.00 N ATOM 1422 CA GLU A 90 82.798 9.289 -8.932 1.00 0.00 C ATOM 1423 C GLU A 90 82.686 8.530 -7.617 1.00 0.00 C ATOM 1424 O GLU A 90 82.269 7.374 -7.585 1.00 0.00 O ATOM 1425 CB GLU A 90 84.244 9.261 -9.437 1.00 0.00 C ATOM 1426 CG GLU A 90 84.274 9.569 -10.935 1.00 0.00 C ATOM 1427 CD GLU A 90 85.713 9.567 -11.438 1.00 0.00 C ATOM 1428 OE1 GLU A 90 86.574 10.047 -10.718 1.00 0.00 O1- ATOM 1429 OE2 GLU A 90 85.935 9.084 -12.536 1.00 0.00 O ATOM 0 H GLU A 90 83.093 11.362 -8.798 1.00 0.00 H new ATOM 0 HA GLU A 90 82.167 8.816 -9.685 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.843 9.992 -8.894 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.686 8.283 -9.248 1.00 0.00 H new ATOM 0 HG2 GLU A 90 83.689 8.828 -11.479 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.815 10.539 -11.125 1.00 0.00 H new ATOM 1436 N ARG A 91 83.043 9.206 -6.529 1.00 0.00 N ATOM 1437 CA ARG A 91 82.961 8.607 -5.205 1.00 0.00 C ATOM 1438 C ARG A 91 81.504 8.507 -4.771 1.00 0.00 C ATOM 1439 O ARG A 91 81.048 7.450 -4.347 1.00 0.00 O ATOM 1440 CB ARG A 91 83.729 9.462 -4.194 1.00 0.00 C ATOM 1441 CG ARG A 91 85.167 9.656 -4.671 1.00 0.00 C ATOM 1442 CD ARG A 91 85.984 10.353 -3.575 1.00 0.00 C ATOM 1443 NE ARG A 91 86.677 11.512 -4.127 1.00 0.00 N ATOM 1444 CZ ARG A 91 87.143 12.478 -3.340 1.00 0.00 C ATOM 1445 NH1 ARG A 91 87.002 12.393 -2.045 1.00 0.00 N ATOM 1446 NH2 ARG A 91 87.745 13.511 -3.864 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.390 10.165 -6.540 1.00 0.00 H new ATOM 0 HA ARG A 91 83.400 7.610 -5.244 1.00 0.00 H new ATOM 0 HB2 ARG A 91 83.241 10.430 -4.076 1.00 0.00 H new ATOM 0 HB3 ARG A 91 83.722 8.980 -3.216 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.613 8.692 -4.914 1.00 0.00 H new ATOM 0 HG3 ARG A 91 85.181 10.252 -5.583 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.327 10.665 -2.763 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.706 9.656 -3.150 1.00 0.00 H new ATOM 0 HE ARG A 91 86.807 11.583 -5.136 1.00 0.00 H new ATOM 0 HH11 ARG A 91 86.534 11.585 -1.635 1.00 0.00 H new ATOM 0 HH12 ARG A 91 87.360 13.135 -1.443 1.00 0.00 H new ATOM 0 HH21 ARG A 91 87.858 13.577 -4.876 1.00 0.00 H new ATOM 0 HH22 ARG A 91 88.103 14.252 -3.262 1.00 0.00 H new ATOM 1460 N GLU A 92 80.779 9.616 -4.883 1.00 0.00 N ATOM 1461 CA GLU A 92 79.373 9.631 -4.499 1.00 0.00 C ATOM 1462 C GLU A 92 78.604 8.576 -5.285 1.00 0.00 C ATOM 1463 O GLU A 92 77.928 7.727 -4.704 1.00 0.00 O ATOM 1464 CB GLU A 92 78.771 11.013 -4.767 1.00 0.00 C ATOM 1465 CG GLU A 92 77.408 11.117 -4.081 1.00 0.00 C ATOM 1466 CD GLU A 92 76.661 12.345 -4.591 1.00 0.00 C ATOM 1467 OE1 GLU A 92 76.586 12.509 -5.798 1.00 0.00 O ATOM 1468 OE2 GLU A 92 76.176 13.104 -3.767 1.00 0.00 O1- ATOM 0 H GLU A 92 81.137 10.505 -5.232 1.00 0.00 H new ATOM 0 HA GLU A 92 79.299 9.408 -3.435 1.00 0.00 H new ATOM 0 HB2 GLU A 92 79.438 11.790 -4.394 1.00 0.00 H new ATOM 0 HB3 GLU A 92 78.663 11.173 -5.840 1.00 0.00 H new ATOM 0 HG2 GLU A 92 76.823 10.218 -4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 92 77.539 11.183 -3.001 1.00 0.00 H new ATOM 1475 N ASP A 93 78.723 8.626 -6.609 1.00 0.00 N ATOM 1476 CA ASP A 93 78.044 7.656 -7.459 1.00 0.00 C ATOM 1477 C ASP A 93 78.493 6.244 -7.097 1.00 0.00 C ATOM 1478 O ASP A 93 77.670 5.361 -6.854 1.00 0.00 O ATOM 1479 CB ASP A 93 78.359 7.933 -8.931 1.00 0.00 C ATOM 1480 CG ASP A 93 77.765 9.274 -9.348 1.00 0.00 C ATOM 1481 OD1 ASP A 93 76.757 9.656 -8.777 1.00 0.00 O ATOM 1482 OD2 ASP A 93 78.328 9.898 -10.233 1.00 0.00 O1- ATOM 0 H ASP A 93 79.277 9.320 -7.111 1.00 0.00 H new ATOM 0 HA ASP A 93 76.969 7.744 -7.302 1.00 0.00 H new ATOM 0 HB2 ASP A 93 79.438 7.940 -9.085 1.00 0.00 H new ATOM 0 HB3 ASP A 93 77.953 7.136 -9.554 1.00 0.00 H new ATOM 1487 N LEU A 94 79.808 6.045 -7.055 1.00 0.00 N ATOM 1488 CA LEU A 94 80.366 4.743 -6.713 1.00 0.00 C ATOM 1489 C LEU A 94 79.830 4.274 -5.372 1.00 0.00 C ATOM 1490 O LEU A 94 79.559 3.090 -5.175 1.00 0.00 O ATOM 1491 CB LEU A 94 81.892 4.832 -6.631 1.00 0.00 C ATOM 1492 CG LEU A 94 82.470 3.493 -6.169 1.00 0.00 C ATOM 1493 CD1 LEU A 94 82.003 2.382 -7.106 1.00 0.00 C ATOM 1494 CD2 LEU A 94 83.998 3.568 -6.185 1.00 0.00 C ATOM 0 H LEU A 94 80.502 6.765 -7.253 1.00 0.00 H new ATOM 0 HA LEU A 94 80.078 4.033 -7.488 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.302 5.098 -7.605 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.182 5.621 -5.937 1.00 0.00 H new ATOM 0 HG LEU A 94 82.126 3.278 -5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.416 1.429 -6.775 1.00 0.00 H new ATOM 0 HD12 LEU A 94 80.914 2.329 -7.094 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.345 2.593 -8.119 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.413 2.615 -5.856 1.00 0.00 H new ATOM 0 HD22 LEU A 94 84.341 3.783 -7.197 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.330 4.359 -5.513 1.00 0.00 H new ATOM 1506 N ILE A 95 79.694 5.213 -4.447 1.00 0.00 N ATOM 1507 CA ILE A 95 79.207 4.888 -3.120 1.00 0.00 C ATOM 1508 C ILE A 95 77.709 4.629 -3.157 1.00 0.00 C ATOM 1509 O ILE A 95 77.186 3.844 -2.368 1.00 0.00 O ATOM 1510 CB ILE A 95 79.556 6.017 -2.141 1.00 0.00 C ATOM 1511 CG1 ILE A 95 81.031 5.865 -1.720 1.00 0.00 C ATOM 1512 CG2 ILE A 95 78.650 5.938 -0.903 1.00 0.00 C ATOM 1513 CD1 ILE A 95 81.709 7.235 -1.599 1.00 0.00 C ATOM 0 H ILE A 95 79.913 6.199 -4.592 1.00 0.00 H new ATOM 0 HA ILE A 95 79.694 3.977 -2.772 1.00 0.00 H new ATOM 0 HB ILE A 95 79.404 6.983 -2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 95 81.089 5.340 -0.766 1.00 0.00 H new ATOM 0 HG13 ILE A 95 81.561 5.256 -2.452 1.00 0.00 H new ATOM 0 HG21 ILE A 95 78.905 6.743 -0.214 1.00 0.00 H new ATOM 0 HG22 ILE A 95 77.608 6.037 -1.208 1.00 0.00 H new ATOM 0 HG23 ILE A 95 78.793 4.978 -0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 95 82.749 7.101 -1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 95 81.670 7.746 -2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 95 81.191 7.833 -0.849 1.00 0.00 H new ATOM 1525 N ALA A 96 77.025 5.271 -4.095 1.00 0.00 N ATOM 1526 CA ALA A 96 75.593 5.069 -4.233 1.00 0.00 C ATOM 1527 C ALA A 96 75.329 3.616 -4.609 1.00 0.00 C ATOM 1528 O ALA A 96 74.346 3.013 -4.172 1.00 0.00 O ATOM 1529 CB ALA A 96 75.033 5.998 -5.310 1.00 0.00 C ATOM 0 H ALA A 96 77.433 5.926 -4.762 1.00 0.00 H new ATOM 0 HA ALA A 96 75.101 5.297 -3.288 1.00 0.00 H new ATOM 0 HB1 ALA A 96 73.959 5.839 -5.405 1.00 0.00 H new ATOM 0 HB2 ALA A 96 75.223 7.034 -5.031 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.518 5.784 -6.263 1.00 0.00 H new ATOM 1535 N TYR A 97 76.233 3.054 -5.410 1.00 0.00 N ATOM 1536 CA TYR A 97 76.109 1.665 -5.829 1.00 0.00 C ATOM 1537 C TYR A 97 76.509 0.743 -4.681 1.00 0.00 C ATOM 1538 O TYR A 97 75.794 -0.202 -4.359 1.00 0.00 O ATOM 1539 CB TYR A 97 77.000 1.390 -7.043 1.00 0.00 C ATOM 1540 CG TYR A 97 76.960 -0.085 -7.375 1.00 0.00 C ATOM 1541 CD1 TYR A 97 75.873 -0.615 -8.080 1.00 0.00 C ATOM 1542 CD2 TYR A 97 78.009 -0.923 -6.977 1.00 0.00 C ATOM 1543 CE1 TYR A 97 75.834 -1.981 -8.384 1.00 0.00 C ATOM 1544 CE2 TYR A 97 77.970 -2.289 -7.282 1.00 0.00 C ATOM 1545 CZ TYR A 97 76.882 -2.818 -7.986 1.00 0.00 C ATOM 1546 OH TYR A 97 76.844 -4.164 -8.287 1.00 0.00 O ATOM 0 H TYR A 97 77.052 3.538 -5.778 1.00 0.00 H new ATOM 0 HA TYR A 97 75.072 1.475 -6.105 1.00 0.00 H new ATOM 0 HB2 TYR A 97 76.659 1.975 -7.897 1.00 0.00 H new ATOM 0 HB3 TYR A 97 78.024 1.699 -6.833 1.00 0.00 H new ATOM 0 HD1 TYR A 97 75.064 0.030 -8.390 1.00 0.00 H new ATOM 0 HD2 TYR A 97 78.849 -0.515 -6.434 1.00 0.00 H new ATOM 0 HE1 TYR A 97 74.994 -2.389 -8.926 1.00 0.00 H new ATOM 0 HE2 TYR A 97 78.779 -2.934 -6.974 1.00 0.00 H new ATOM 0 HH TYR A 97 77.650 -4.600 -7.939 1.00 0.00 H new ATOM 1556 N LEU A 98 77.654 1.030 -4.064 1.00 0.00 N ATOM 1557 CA LEU A 98 78.132 0.224 -2.949 1.00 0.00 C ATOM 1558 C LEU A 98 77.046 0.108 -1.881 1.00 0.00 C ATOM 1559 O LEU A 98 77.054 -0.818 -1.072 1.00 0.00 O ATOM 1560 CB LEU A 98 79.387 0.863 -2.337 1.00 0.00 C ATOM 1561 CG LEU A 98 80.630 0.478 -3.158 1.00 0.00 C ATOM 1562 CD1 LEU A 98 81.713 1.551 -3.020 1.00 0.00 C ATOM 1563 CD2 LEU A 98 81.188 -0.846 -2.641 1.00 0.00 C ATOM 0 H LEU A 98 78.262 1.809 -4.317 1.00 0.00 H new ATOM 0 HA LEU A 98 78.379 -0.771 -3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 98 79.278 1.947 -2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 98 79.506 0.533 -1.305 1.00 0.00 H new ATOM 0 HG LEU A 98 80.342 0.386 -4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.586 1.264 -3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 98 81.329 2.504 -3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 98 81.996 1.649 -1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 98 82.069 -1.121 -3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 98 81.463 -0.740 -1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 98 80.431 -1.624 -2.741 1.00 0.00 H new ATOM 1575 N LYS A 99 76.115 1.059 -1.880 1.00 0.00 N ATOM 1576 CA LYS A 99 75.031 1.053 -0.902 1.00 0.00 C ATOM 1577 C LYS A 99 73.934 0.076 -1.315 1.00 0.00 C ATOM 1578 O LYS A 99 73.553 -0.803 -0.544 1.00 0.00 O ATOM 1579 CB LYS A 99 74.440 2.460 -0.764 1.00 0.00 C ATOM 1580 CG LYS A 99 75.347 3.316 0.124 1.00 0.00 C ATOM 1581 CD LYS A 99 74.802 4.745 0.194 1.00 0.00 C ATOM 1582 CE LYS A 99 73.428 4.746 0.872 1.00 0.00 C ATOM 1583 NZ LYS A 99 73.164 6.093 1.455 1.00 0.00 N1+ ATOM 0 H LYS A 99 76.089 1.837 -2.539 1.00 0.00 H new ATOM 0 HA LYS A 99 75.439 0.735 0.057 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.338 2.920 -1.747 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.440 2.404 -0.333 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.401 2.888 1.125 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.361 3.323 -0.275 1.00 0.00 H new ATOM 0 HD2 LYS A 99 75.492 5.380 0.750 1.00 0.00 H new ATOM 0 HD3 LYS A 99 74.722 5.163 -0.810 1.00 0.00 H new ATOM 0 HE2 LYS A 99 72.653 4.493 0.149 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.395 3.987 1.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 72.232 6.095 1.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 73.898 6.317 2.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 73.178 6.807 0.699 1.00 0.00 H new ATOM 1597 N LYS A 100 73.428 0.240 -2.534 1.00 0.00 N ATOM 1598 CA LYS A 100 72.370 -0.634 -3.033 1.00 0.00 C ATOM 1599 C LYS A 100 72.927 -2.018 -3.353 1.00 0.00 C ATOM 1600 O LYS A 100 72.179 -2.987 -3.478 1.00 0.00 O ATOM 1601 CB LYS A 100 71.741 -0.028 -4.291 1.00 0.00 C ATOM 1602 CG LYS A 100 70.760 1.076 -3.894 1.00 0.00 C ATOM 1603 CD LYS A 100 70.361 1.877 -5.136 1.00 0.00 C ATOM 1604 CE LYS A 100 69.111 2.706 -4.833 1.00 0.00 C ATOM 1605 NZ LYS A 100 67.912 1.821 -4.853 1.00 0.00 N1+ ATOM 0 H LYS A 100 73.729 0.962 -3.189 1.00 0.00 H new ATOM 0 HA LYS A 100 71.608 -0.732 -2.259 1.00 0.00 H new ATOM 0 HB2 LYS A 100 72.518 0.378 -4.939 1.00 0.00 H new ATOM 0 HB3 LYS A 100 71.224 -0.801 -4.859 1.00 0.00 H new ATOM 0 HG2 LYS A 100 69.875 0.641 -3.429 1.00 0.00 H new ATOM 0 HG3 LYS A 100 71.217 1.734 -3.155 1.00 0.00 H new ATOM 0 HD2 LYS A 100 71.179 2.531 -5.437 1.00 0.00 H new ATOM 0 HD3 LYS A 100 70.169 1.202 -5.970 1.00 0.00 H new ATOM 0 HE2 LYS A 100 69.207 3.185 -3.859 1.00 0.00 H new ATOM 0 HE3 LYS A 100 69.002 3.502 -5.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 67.054 2.401 -4.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 67.980 1.162 -5.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 67.864 1.282 -3.965 1.00 0.00 H new ATOM 1619 N ALA A 101 74.246 -2.100 -3.482 1.00 0.00 N ATOM 1620 CA ALA A 101 74.901 -3.366 -3.785 1.00 0.00 C ATOM 1621 C ALA A 101 75.179 -4.140 -2.502 1.00 0.00 C ATOM 1622 O ALA A 101 75.149 -5.370 -2.489 1.00 0.00 O ATOM 1623 CB ALA A 101 76.216 -3.111 -4.523 1.00 0.00 C ATOM 0 H ALA A 101 74.881 -1.308 -3.382 1.00 0.00 H new ATOM 0 HA ALA A 101 74.239 -3.956 -4.419 1.00 0.00 H new ATOM 0 HB1 ALA A 101 76.699 -4.063 -4.745 1.00 0.00 H new ATOM 0 HB2 ALA A 101 76.014 -2.580 -5.453 1.00 0.00 H new ATOM 0 HB3 ALA A 101 76.874 -2.508 -3.897 1.00 0.00 H new ATOM 1629 N THR A 102 75.449 -3.410 -1.424 1.00 0.00 N ATOM 1630 CA THR A 102 75.731 -4.040 -0.139 1.00 0.00 C ATOM 1631 C THR A 102 74.449 -4.188 0.665 1.00 0.00 C ATOM 1632 O THR A 102 74.445 -4.763 1.754 1.00 0.00 O ATOM 1633 CB THR A 102 76.737 -3.197 0.647 1.00 0.00 C ATOM 1634 OG1 THR A 102 76.217 -1.888 0.829 1.00 0.00 O ATOM 1635 CG2 THR A 102 78.052 -3.127 -0.128 1.00 0.00 C ATOM 0 H THR A 102 75.478 -2.390 -1.414 1.00 0.00 H new ATOM 0 HA THR A 102 76.154 -5.028 -0.319 1.00 0.00 H new ATOM 0 HB THR A 102 76.915 -3.652 1.622 1.00 0.00 H new ATOM 0 HG1 THR A 102 76.259 -1.399 -0.019 1.00 0.00 H new ATOM 0 HG21 THR A 102 78.771 -2.527 0.429 1.00 0.00 H new ATOM 0 HG22 THR A 102 78.448 -4.133 -0.265 1.00 0.00 H new ATOM 0 HG23 THR A 102 77.876 -2.671 -1.102 1.00 0.00 H new ATOM 1643 N ASN A 103 73.362 -3.665 0.113 1.00 0.00 N ATOM 1644 CA ASN A 103 72.064 -3.737 0.767 1.00 0.00 C ATOM 1645 C ASN A 103 71.191 -4.777 0.076 1.00 0.00 C ATOM 1646 O ASN A 103 70.254 -5.312 0.669 1.00 0.00 O ATOM 1647 CB ASN A 103 71.382 -2.370 0.705 1.00 0.00 C ATOM 1648 CG ASN A 103 71.976 -1.440 1.754 1.00 0.00 C ATOM 1649 OD1 ASN A 103 71.298 -0.534 2.238 1.00 0.00 O ATOM 1650 ND2 ASN A 103 73.209 -1.611 2.137 1.00 0.00 N ATOM 0 H ASN A 103 73.354 -3.186 -0.787 1.00 0.00 H new ATOM 0 HA ASN A 103 72.204 -4.025 1.809 1.00 0.00 H new ATOM 0 HB2 ASN A 103 71.507 -1.938 -0.288 1.00 0.00 H new ATOM 0 HB3 ASN A 103 70.311 -2.482 0.872 1.00 0.00 H new ATOM 0 HD21 ASN A 103 73.615 -0.993 2.840 1.00 0.00 H new ATOM 0 HD22 ASN A 103 73.769 -2.363 1.734 1.00 0.00 H new ATOM 1657 N GLU A 104 71.513 -5.055 -1.186 1.00 0.00 N ATOM 1658 CA GLU A 104 70.763 -6.032 -1.973 1.00 0.00 C ATOM 1659 C GLU A 104 69.289 -6.040 -1.578 1.00 0.00 C ATOM 1660 O GLU A 104 68.802 -7.094 -1.203 1.00 0.00 O ATOM 1661 CB GLU A 104 71.357 -7.428 -1.773 1.00 0.00 C ATOM 1662 CG GLU A 104 72.796 -7.452 -2.295 1.00 0.00 C ATOM 1663 CD GLU A 104 73.263 -8.892 -2.474 1.00 0.00 C ATOM 1664 OE1 GLU A 104 73.373 -9.586 -1.478 1.00 0.00 O1- ATOM 1665 OE2 GLU A 104 73.505 -9.279 -3.606 1.00 0.00 O ATOM 1666 OXT GLU A 104 68.671 -4.991 -1.655 1.00 0.00 O ATOM 0 H GLU A 104 72.288 -4.618 -1.685 1.00 0.00 H new ATOM 0 HA GLU A 104 70.836 -5.750 -3.023 1.00 0.00 H new ATOM 0 HB2 GLU A 104 71.338 -7.695 -0.716 1.00 0.00 H new ATOM 0 HB3 GLU A 104 70.756 -8.169 -2.300 1.00 0.00 H new ATOM 0 HG2 GLU A 104 72.856 -6.921 -3.245 1.00 0.00 H new ATOM 0 HG3 GLU A 104 73.453 -6.932 -1.598 1.00 0.00 H new