USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 778 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 77 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 86 SER OG : rot 68:sc= 0.103 USER MOD Set 2.1: A 4 ASN : amide:sc= -7.04! C(o=-14!,f=-22!) USER MOD Set 2.2: A 29 GLN : amide:sc= -2.81! K(o=-14!,f=-12) USER MOD Set 2.3: A 83 MET CE :methyl -167:sc= -4.13! (180deg=-0.376) USER MOD Set 3.1: A 3 LYS NZ :NH3+ 161:sc= 0.842 (180deg=0) USER MOD Set 3.2: A 5 THR OG1 : rot -120:sc= 0.197! USER MOD Single : A 1 THR N :NH3+ -158:sc= -0.0273 (180deg=-0.487) USER MOD Single : A 1 THR OG1 : rot 31:sc= 0.461 USER MOD Single : A 12 ASN : amide:sc= -2.34! C(o=-2.3!,f=-3.9!) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.414 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -1.79! C(o=-1.8!,f=-3.8!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -37:sc= -2.11! USER MOD Single : A 47 SER OG : rot 180:sc= -0.852! USER MOD Single : A 49 ASN : amide:sc= -1.09 X(o=-1.1,f=-1.5) USER MOD Single : A 57 ASN : amide:sc= -0.436 K(o=-0.44,f=-1.2) USER MOD Single : A 61 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-9.7!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.117 K(o=-0.12,f=-1.3) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 73 SER OG : rot -25:sc= 0.931 USER MOD Single : A 74 CYS SG : rot 120:sc= -0.65 USER MOD Single : A 85 THR OG1 : rot -120:sc= -0.251 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.0952 K(o=-0.095,f=-0.6) USER MOD Single : A 98 HIS : no HD1:sc= -0.44 X(o=-0.44,f=-0.39) USER MOD Single : A 99 HIS : no HD1:sc= -0.707 X(o=-0.71,f=-0.42) USER MOD Single : A 100 HIS : no HD1:sc=-0.00323 X(o=-0.0032,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.371 X(o=-0.37,f=0) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 55.978 -0.461 -2.538 1.00 0.00 N ATOM 2 CA THR A 1 56.249 0.807 -3.270 1.00 0.00 C ATOM 3 C THR A 1 55.066 1.749 -3.104 1.00 0.00 C ATOM 4 O THR A 1 53.933 1.410 -3.448 1.00 0.00 O ATOM 5 CB THR A 1 56.478 0.500 -4.751 1.00 0.00 C ATOM 6 OG1 THR A 1 55.369 -0.231 -5.260 1.00 0.00 O ATOM 7 CG2 THR A 1 57.754 -0.325 -4.905 1.00 0.00 C ATOM 0 H1 THR A 1 56.877 -0.940 -2.328 1.00 0.00 H new ATOM 0 H2 THR A 1 55.483 -0.249 -1.648 1.00 0.00 H new ATOM 0 H3 THR A 1 55.385 -1.081 -3.126 1.00 0.00 H new ATOM 0 HA THR A 1 57.141 1.284 -2.865 1.00 0.00 H new ATOM 0 HB THR A 1 56.580 1.432 -5.307 1.00 0.00 H new ATOM 0 HG1 THR A 1 54.556 0.031 -4.779 1.00 0.00 H new ATOM 0 HG21 THR A 1 57.920 -0.545 -5.960 1.00 0.00 H new ATOM 0 HG22 THR A 1 58.601 0.239 -4.515 1.00 0.00 H new ATOM 0 HG23 THR A 1 57.653 -1.258 -4.351 1.00 0.00 H new ATOM 17 N ALA A 2 55.338 2.933 -2.571 1.00 0.00 N ATOM 18 CA ALA A 2 54.292 3.921 -2.354 1.00 0.00 C ATOM 19 C ALA A 2 54.906 5.284 -2.051 1.00 0.00 C ATOM 20 O ALA A 2 54.335 6.321 -2.386 1.00 0.00 O ATOM 21 CB ALA A 2 53.399 3.480 -1.193 1.00 0.00 C ATOM 0 H ALA A 2 56.270 3.231 -2.282 1.00 0.00 H new ATOM 0 HA ALA A 2 53.690 4.003 -3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 2 52.617 4.222 -1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 2 52.944 2.518 -1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 2 53.999 3.385 -0.288 1.00 0.00 H new ATOM 27 N LYS A 3 56.082 5.273 -1.425 1.00 0.00 N ATOM 28 CA LYS A 3 56.779 6.516 -1.093 1.00 0.00 C ATOM 29 C LYS A 3 58.265 6.229 -0.900 1.00 0.00 C ATOM 30 O LYS A 3 58.647 5.510 0.024 1.00 0.00 O ATOM 31 CB LYS A 3 56.183 7.130 0.198 1.00 0.00 C ATOM 32 CG LYS A 3 56.074 8.664 0.084 1.00 0.00 C ATOM 33 CD LYS A 3 57.467 9.299 0.045 1.00 0.00 C ATOM 34 CE LYS A 3 57.319 10.823 -0.037 1.00 0.00 C ATOM 35 NZ LYS A 3 58.664 11.464 -0.092 1.00 0.00 N1+ ATOM 0 H LYS A 3 56.570 4.424 -1.139 1.00 0.00 H new ATOM 0 HA LYS A 3 56.654 7.229 -1.908 1.00 0.00 H new ATOM 0 HB2 LYS A 3 55.197 6.705 0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 3 56.809 6.869 1.051 1.00 0.00 H new ATOM 0 HG2 LYS A 3 55.522 8.929 -0.817 1.00 0.00 H new ATOM 0 HG3 LYS A 3 55.512 9.058 0.930 1.00 0.00 H new ATOM 0 HD2 LYS A 3 58.032 9.023 0.936 1.00 0.00 H new ATOM 0 HD3 LYS A 3 58.026 8.928 -0.814 1.00 0.00 H new ATOM 0 HE2 LYS A 3 56.742 11.093 -0.921 1.00 0.00 H new ATOM 0 HE3 LYS A 3 56.767 11.190 0.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 58.573 12.431 -0.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 59.072 11.498 0.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 59.287 10.911 -0.715 1.00 0.00 H new ATOM 49 N ASN A 4 59.101 6.787 -1.770 1.00 0.00 N ATOM 50 CA ASN A 4 60.539 6.573 -1.678 1.00 0.00 C ATOM 51 C ASN A 4 61.278 7.860 -2.021 1.00 0.00 C ATOM 52 O ASN A 4 61.232 8.314 -3.164 1.00 0.00 O ATOM 53 CB ASN A 4 60.936 5.454 -2.636 1.00 0.00 C ATOM 54 CG ASN A 4 62.427 5.178 -2.539 1.00 0.00 C ATOM 55 OD1 ASN A 4 63.027 5.370 -1.484 1.00 0.00 O ATOM 56 ND2 ASN A 4 63.064 4.729 -3.586 1.00 0.00 N ATOM 0 H ASN A 4 58.809 7.387 -2.542 1.00 0.00 H new ATOM 0 HA ASN A 4 60.807 6.286 -0.661 1.00 0.00 H new ATOM 0 HB2 ASN A 4 60.376 4.549 -2.400 1.00 0.00 H new ATOM 0 HB3 ASN A 4 60.677 5.732 -3.658 1.00 0.00 H new ATOM 0 HD21 ASN A 4 64.064 4.536 -3.531 1.00 0.00 H new ATOM 0 HD22 ASN A 4 62.562 4.571 -4.460 1.00 0.00 H new ATOM 63 N THR A 5 61.968 8.455 -1.038 1.00 0.00 N ATOM 64 CA THR A 5 62.713 9.696 -1.284 1.00 0.00 C ATOM 65 C THR A 5 64.018 9.708 -0.490 1.00 0.00 C ATOM 66 O THR A 5 64.008 9.759 0.740 1.00 0.00 O ATOM 67 CB THR A 5 61.873 10.910 -0.877 1.00 0.00 C ATOM 68 OG1 THR A 5 60.605 10.845 -1.514 1.00 0.00 O ATOM 69 CG2 THR A 5 62.589 12.196 -1.299 1.00 0.00 C ATOM 0 H THR A 5 62.026 8.104 -0.082 1.00 0.00 H new ATOM 0 HA THR A 5 62.938 9.746 -2.349 1.00 0.00 H new ATOM 0 HB THR A 5 61.738 10.909 0.205 1.00 0.00 H new ATOM 0 HG1 THR A 5 60.481 11.637 -2.078 1.00 0.00 H new ATOM 0 HG21 THR A 5 61.989 13.059 -1.008 1.00 0.00 H new ATOM 0 HG22 THR A 5 63.561 12.249 -0.809 1.00 0.00 H new ATOM 0 HG23 THR A 5 62.727 12.198 -2.380 1.00 0.00 H new ATOM 77 N VAL A 6 65.133 9.646 -1.203 1.00 0.00 N ATOM 78 CA VAL A 6 66.436 9.634 -0.550 1.00 0.00 C ATOM 79 C VAL A 6 66.705 10.944 0.168 1.00 0.00 C ATOM 80 O VAL A 6 66.552 12.027 -0.398 1.00 0.00 O ATOM 81 CB VAL A 6 67.555 9.395 -1.561 1.00 0.00 C ATOM 82 CG1 VAL A 6 67.619 10.560 -2.549 1.00 0.00 C ATOM 83 CG2 VAL A 6 68.889 9.285 -0.818 1.00 0.00 C ATOM 0 H VAL A 6 65.164 9.604 -2.222 1.00 0.00 H new ATOM 0 HA VAL A 6 66.418 8.820 0.175 1.00 0.00 H new ATOM 0 HB VAL A 6 67.358 8.472 -2.107 1.00 0.00 H new ATOM 0 HG11 VAL A 6 68.419 10.384 -3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 6 66.669 10.642 -3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 6 67.815 11.486 -2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 6 69.692 9.114 -1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 6 69.079 10.210 -0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 6 68.847 8.453 -0.116 1.00 0.00 H new ATOM 93 N VAL A 7 67.147 10.824 1.413 1.00 0.00 N ATOM 94 CA VAL A 7 67.495 11.982 2.216 1.00 0.00 C ATOM 95 C VAL A 7 68.958 12.280 1.968 1.00 0.00 C ATOM 96 O VAL A 7 69.361 13.426 1.765 1.00 0.00 O ATOM 97 CB VAL A 7 67.268 11.682 3.696 1.00 0.00 C ATOM 98 CG1 VAL A 7 67.577 12.930 4.527 1.00 0.00 C ATOM 99 CG2 VAL A 7 65.812 11.260 3.912 1.00 0.00 C ATOM 0 H VAL A 7 67.272 9.930 1.888 1.00 0.00 H new ATOM 0 HA VAL A 7 66.875 12.837 1.946 1.00 0.00 H new ATOM 0 HB VAL A 7 67.928 10.873 4.010 1.00 0.00 H new ATOM 0 HG11 VAL A 7 67.414 12.714 5.583 1.00 0.00 H new ATOM 0 HG12 VAL A 7 68.616 13.222 4.372 1.00 0.00 H new ATOM 0 HG13 VAL A 7 66.921 13.744 4.218 1.00 0.00 H new ATOM 0 HG21 VAL A 7 65.648 11.045 4.968 1.00 0.00 H new ATOM 0 HG22 VAL A 7 65.149 12.066 3.599 1.00 0.00 H new ATOM 0 HG23 VAL A 7 65.601 10.367 3.323 1.00 0.00 H new ATOM 109 N ARG A 8 69.742 11.207 1.963 1.00 0.00 N ATOM 110 CA ARG A 8 71.163 11.288 1.713 1.00 0.00 C ATOM 111 C ARG A 8 71.656 9.955 1.187 1.00 0.00 C ATOM 112 O ARG A 8 71.111 8.903 1.518 1.00 0.00 O ATOM 113 CB ARG A 8 71.919 11.637 2.985 1.00 0.00 C ATOM 114 CG ARG A 8 73.409 11.730 2.664 1.00 0.00 C ATOM 115 CD ARG A 8 74.135 12.307 3.876 1.00 0.00 C ATOM 116 NE ARG A 8 73.702 13.686 4.083 1.00 0.00 N ATOM 117 CZ ARG A 8 74.033 14.365 5.176 1.00 0.00 C ATOM 118 NH1 ARG A 8 74.868 13.855 6.040 1.00 0.00 N1+ ATOM 119 NH2 ARG A 8 73.519 15.548 5.384 1.00 0.00 N ATOM 0 H ARG A 8 69.403 10.260 2.133 1.00 0.00 H new ATOM 0 HA ARG A 8 71.342 12.072 0.977 1.00 0.00 H new ATOM 0 HB2 ARG A 8 71.560 12.584 3.389 1.00 0.00 H new ATOM 0 HB3 ARG A 8 71.744 10.878 3.748 1.00 0.00 H new ATOM 0 HG2 ARG A 8 73.805 10.744 2.420 1.00 0.00 H new ATOM 0 HG3 ARG A 8 73.569 12.363 1.791 1.00 0.00 H new ATOM 0 HD2 ARG A 8 73.921 11.709 4.762 1.00 0.00 H new ATOM 0 HD3 ARG A 8 75.213 12.271 3.720 1.00 0.00 H new ATOM 0 HE ARG A 8 73.131 14.140 3.370 1.00 0.00 H new ATOM 0 HH11 ARG A 8 75.269 12.931 5.877 1.00 0.00 H new ATOM 0 HH12 ARG A 8 75.119 14.380 6.878 1.00 0.00 H new ATOM 0 HH21 ARG A 8 72.867 15.946 4.709 1.00 0.00 H new ATOM 0 HH22 ARG A 8 73.770 16.073 6.222 1.00 0.00 H new ATOM 133 N GLY A 9 72.693 10.010 0.370 1.00 0.00 N ATOM 134 CA GLY A 9 73.279 8.804 -0.207 1.00 0.00 C ATOM 135 C GLY A 9 74.689 8.583 0.306 1.00 0.00 C ATOM 136 O GLY A 9 75.003 8.876 1.461 1.00 0.00 O ATOM 0 H GLY A 9 73.150 10.877 0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 9 72.660 7.941 0.039 1.00 0.00 H new ATOM 0 HA3 GLY A 9 73.293 8.887 -1.294 1.00 0.00 H new ATOM 140 N LEU A 10 75.525 8.056 -0.568 1.00 0.00 N ATOM 141 CA LEU A 10 76.907 7.770 -0.234 1.00 0.00 C ATOM 142 C LEU A 10 77.715 9.061 -0.154 1.00 0.00 C ATOM 143 O LEU A 10 77.410 10.041 -0.833 1.00 0.00 O ATOM 144 CB LEU A 10 77.497 6.860 -1.313 1.00 0.00 C ATOM 145 CG LEU A 10 76.543 5.680 -1.566 1.00 0.00 C ATOM 146 CD1 LEU A 10 77.126 4.747 -2.643 1.00 0.00 C ATOM 147 CD2 LEU A 10 76.322 4.908 -0.262 1.00 0.00 C ATOM 0 H LEU A 10 75.267 7.815 -1.525 1.00 0.00 H new ATOM 0 HA LEU A 10 76.948 7.276 0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.650 7.422 -2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.473 6.491 -0.999 1.00 0.00 H new ATOM 0 HG LEU A 10 75.586 6.064 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 10 76.442 3.916 -2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 10 77.261 5.302 -3.571 1.00 0.00 H new ATOM 0 HD13 LEU A 10 78.089 4.362 -2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 10 75.646 4.073 -0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 10 77.277 4.529 0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 10 75.886 5.572 0.484 1.00 0.00 H new ATOM 159 N GLU A 11 78.758 9.044 0.671 1.00 0.00 N ATOM 160 CA GLU A 11 79.635 10.203 0.835 1.00 0.00 C ATOM 161 C GLU A 11 81.083 9.752 0.755 1.00 0.00 C ATOM 162 O GLU A 11 81.401 8.614 1.090 1.00 0.00 O ATOM 163 CB GLU A 11 79.403 10.874 2.190 1.00 0.00 C ATOM 164 CG GLU A 11 78.018 11.517 2.223 1.00 0.00 C ATOM 165 CD GLU A 11 77.808 12.207 3.567 1.00 0.00 C ATOM 166 OE1 GLU A 11 78.167 11.619 4.574 1.00 0.00 O1- ATOM 167 OE2 GLU A 11 77.298 13.315 3.568 1.00 0.00 O ATOM 0 H GLU A 11 79.019 8.238 1.239 1.00 0.00 H new ATOM 0 HA GLU A 11 79.413 10.918 0.043 1.00 0.00 H new ATOM 0 HB2 GLU A 11 79.491 10.138 2.989 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.168 11.630 2.367 1.00 0.00 H new ATOM 0 HG2 GLU A 11 77.922 12.239 1.413 1.00 0.00 H new ATOM 0 HG3 GLU A 11 77.250 10.759 2.068 1.00 0.00 H new ATOM 174 N ASN A 12 81.958 10.640 0.315 1.00 0.00 N ATOM 175 CA ASN A 12 83.366 10.293 0.210 1.00 0.00 C ATOM 176 C ASN A 12 83.852 9.689 1.525 1.00 0.00 C ATOM 177 O ASN A 12 83.464 10.135 2.606 1.00 0.00 O ATOM 178 CB ASN A 12 84.196 11.532 -0.140 1.00 0.00 C ATOM 179 CG ASN A 12 84.063 12.589 0.954 1.00 0.00 C ATOM 180 OD1 ASN A 12 83.358 12.382 1.941 1.00 0.00 O ATOM 181 ND2 ASN A 12 84.706 13.721 0.838 1.00 0.00 N ATOM 0 H ASN A 12 81.725 11.591 0.029 1.00 0.00 H new ATOM 0 HA ASN A 12 83.488 9.558 -0.585 1.00 0.00 H new ATOM 0 HB2 ASN A 12 85.243 11.254 -0.260 1.00 0.00 H new ATOM 0 HB3 ASN A 12 83.864 11.943 -1.093 1.00 0.00 H new ATOM 0 HD21 ASN A 12 84.623 14.431 1.565 1.00 0.00 H new ATOM 0 HD22 ASN A 12 85.291 13.894 0.020 1.00 0.00 H new ATOM 188 N VAL A 13 84.722 8.687 1.428 1.00 0.00 N ATOM 189 CA VAL A 13 85.286 8.045 2.624 1.00 0.00 C ATOM 190 C VAL A 13 86.792 7.904 2.443 1.00 0.00 C ATOM 191 O VAL A 13 87.254 7.449 1.397 1.00 0.00 O ATOM 192 CB VAL A 13 84.662 6.661 2.858 1.00 0.00 C ATOM 193 CG1 VAL A 13 85.365 5.973 4.031 1.00 0.00 C ATOM 194 CG2 VAL A 13 83.175 6.806 3.188 1.00 0.00 C ATOM 0 H VAL A 13 85.053 8.301 0.544 1.00 0.00 H new ATOM 0 HA VAL A 13 85.065 8.665 3.493 1.00 0.00 H new ATOM 0 HB VAL A 13 84.778 6.065 1.953 1.00 0.00 H new ATOM 0 HG11 VAL A 13 84.921 4.991 4.196 1.00 0.00 H new ATOM 0 HG12 VAL A 13 86.425 5.859 3.804 1.00 0.00 H new ATOM 0 HG13 VAL A 13 85.250 6.579 4.930 1.00 0.00 H new ATOM 0 HG21 VAL A 13 82.741 5.820 3.352 1.00 0.00 H new ATOM 0 HG22 VAL A 13 83.059 7.408 4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.664 7.294 2.358 1.00 0.00 H new ATOM 204 N GLU A 14 87.560 8.302 3.457 1.00 0.00 N ATOM 205 CA GLU A 14 89.024 8.218 3.386 1.00 0.00 C ATOM 206 C GLU A 14 89.588 7.500 4.609 1.00 0.00 C ATOM 207 O GLU A 14 89.298 7.866 5.749 1.00 0.00 O ATOM 208 CB GLU A 14 89.614 9.631 3.290 1.00 0.00 C ATOM 209 CG GLU A 14 91.140 9.555 3.160 1.00 0.00 C ATOM 210 CD GLU A 14 91.722 10.960 3.024 1.00 0.00 C ATOM 211 OE1 GLU A 14 90.963 11.868 2.729 1.00 0.00 O ATOM 212 OE2 GLU A 14 92.916 11.106 3.221 1.00 0.00 O1- ATOM 0 H GLU A 14 87.200 8.683 4.332 1.00 0.00 H new ATOM 0 HA GLU A 14 89.298 7.646 2.499 1.00 0.00 H new ATOM 0 HB2 GLU A 14 89.193 10.152 2.430 1.00 0.00 H new ATOM 0 HB3 GLU A 14 89.345 10.207 4.175 1.00 0.00 H new ATOM 0 HG2 GLU A 14 91.564 9.060 4.034 1.00 0.00 H new ATOM 0 HG3 GLU A 14 91.410 8.955 2.291 1.00 0.00 H new ATOM 219 N ALA A 15 90.406 6.479 4.359 1.00 0.00 N ATOM 220 CA ALA A 15 91.027 5.707 5.435 1.00 0.00 C ATOM 221 C ALA A 15 92.414 5.233 5.009 1.00 0.00 C ATOM 222 O ALA A 15 92.618 4.852 3.857 1.00 0.00 O ATOM 223 CB ALA A 15 90.156 4.492 5.773 1.00 0.00 C ATOM 0 H ALA A 15 90.655 6.167 3.420 1.00 0.00 H new ATOM 0 HA ALA A 15 91.120 6.344 6.314 1.00 0.00 H new ATOM 0 HB1 ALA A 15 90.624 3.921 6.575 1.00 0.00 H new ATOM 0 HB2 ALA A 15 89.170 4.829 6.094 1.00 0.00 H new ATOM 0 HB3 ALA A 15 90.054 3.861 4.890 1.00 0.00 H new ATOM 229 N LEU A 16 93.369 5.254 5.936 1.00 0.00 N ATOM 230 CA LEU A 16 94.725 4.818 5.614 1.00 0.00 C ATOM 231 C LEU A 16 94.792 3.292 5.619 1.00 0.00 C ATOM 232 O LEU A 16 93.837 2.615 5.996 1.00 0.00 O ATOM 233 CB LEU A 16 95.746 5.394 6.621 1.00 0.00 C ATOM 234 CG LEU A 16 95.091 5.562 8.010 1.00 0.00 C ATOM 235 CD1 LEU A 16 96.156 5.414 9.105 1.00 0.00 C ATOM 236 CD2 LEU A 16 94.437 6.951 8.121 1.00 0.00 C ATOM 0 H LEU A 16 93.233 5.562 6.899 1.00 0.00 H new ATOM 0 HA LEU A 16 94.979 5.190 4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 16 96.608 4.731 6.695 1.00 0.00 H new ATOM 0 HB3 LEU A 16 96.114 6.357 6.266 1.00 0.00 H new ATOM 0 HG LEU A 16 94.328 4.794 8.135 1.00 0.00 H new ATOM 0 HD11 LEU A 16 95.691 5.533 10.084 1.00 0.00 H new ATOM 0 HD12 LEU A 16 96.612 4.426 9.038 1.00 0.00 H new ATOM 0 HD13 LEU A 16 96.923 6.177 8.972 1.00 0.00 H new ATOM 0 HD21 LEU A 16 93.978 7.060 9.104 1.00 0.00 H new ATOM 0 HD22 LEU A 16 95.196 7.722 7.988 1.00 0.00 H new ATOM 0 HD23 LEU A 16 93.673 7.056 7.350 1.00 0.00 H new ATOM 248 N GLU A 17 95.925 2.766 5.178 1.00 0.00 N ATOM 249 CA GLU A 17 96.118 1.321 5.112 1.00 0.00 C ATOM 250 C GLU A 17 95.655 0.630 6.389 1.00 0.00 C ATOM 251 O GLU A 17 95.889 1.111 7.499 1.00 0.00 O ATOM 252 CB GLU A 17 97.601 1.009 4.853 1.00 0.00 C ATOM 253 CG GLU A 17 97.864 -0.508 4.869 1.00 0.00 C ATOM 254 CD GLU A 17 97.125 -1.194 3.725 1.00 0.00 C ATOM 255 OE1 GLU A 17 96.599 -0.496 2.880 1.00 0.00 O ATOM 256 OE2 GLU A 17 97.098 -2.413 3.712 1.00 0.00 O1- ATOM 0 H GLU A 17 96.724 3.315 4.861 1.00 0.00 H new ATOM 0 HA GLU A 17 95.511 0.938 4.292 1.00 0.00 H new ATOM 0 HB2 GLU A 17 97.899 1.422 3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 17 98.215 1.495 5.611 1.00 0.00 H new ATOM 0 HG2 GLU A 17 98.934 -0.698 4.783 1.00 0.00 H new ATOM 0 HG3 GLU A 17 97.541 -0.928 5.821 1.00 0.00 H new ATOM 263 N GLY A 18 95.010 -0.518 6.202 1.00 0.00 N ATOM 264 CA GLY A 18 94.518 -1.317 7.315 1.00 0.00 C ATOM 265 C GLY A 18 93.459 -0.569 8.110 1.00 0.00 C ATOM 266 O GLY A 18 93.267 -0.827 9.298 1.00 0.00 O ATOM 0 H GLY A 18 94.816 -0.916 5.283 1.00 0.00 H new ATOM 0 HA2 GLY A 18 94.100 -2.250 6.938 1.00 0.00 H new ATOM 0 HA3 GLY A 18 95.348 -1.581 7.970 1.00 0.00 H new ATOM 270 N GLY A 19 92.779 0.364 7.452 1.00 0.00 N ATOM 271 CA GLY A 19 91.742 1.153 8.110 1.00 0.00 C ATOM 272 C GLY A 19 90.370 0.498 7.973 1.00 0.00 C ATOM 273 O GLY A 19 90.242 -0.605 7.443 1.00 0.00 O ATOM 0 H GLY A 19 92.926 0.592 6.469 1.00 0.00 H new ATOM 0 HA2 GLY A 19 91.987 1.270 9.166 1.00 0.00 H new ATOM 0 HA3 GLY A 19 91.714 2.153 7.677 1.00 0.00 H new ATOM 277 N GLU A 20 89.347 1.200 8.456 1.00 0.00 N ATOM 278 CA GLU A 20 87.966 0.715 8.398 1.00 0.00 C ATOM 279 C GLU A 20 87.103 1.759 7.705 1.00 0.00 C ATOM 280 O GLU A 20 87.469 2.933 7.669 1.00 0.00 O ATOM 281 CB GLU A 20 87.450 0.485 9.819 1.00 0.00 C ATOM 282 CG GLU A 20 86.043 -0.110 9.770 1.00 0.00 C ATOM 283 CD GLU A 20 85.609 -0.514 11.174 1.00 0.00 C ATOM 284 OE1 GLU A 20 86.329 -1.278 11.796 1.00 0.00 O ATOM 285 OE2 GLU A 20 84.565 -0.056 11.607 1.00 0.00 O1- ATOM 0 H GLU A 20 89.448 2.115 8.896 1.00 0.00 H new ATOM 0 HA GLU A 20 87.925 -0.222 7.843 1.00 0.00 H new ATOM 0 HB2 GLU A 20 88.120 -0.187 10.355 1.00 0.00 H new ATOM 0 HB3 GLU A 20 87.437 1.427 10.368 1.00 0.00 H new ATOM 0 HG2 GLU A 20 85.344 0.618 9.358 1.00 0.00 H new ATOM 0 HG3 GLU A 20 86.027 -0.977 9.110 1.00 0.00 H new ATOM 292 N ALA A 21 85.958 1.355 7.142 1.00 0.00 N ATOM 293 CA ALA A 21 85.100 2.338 6.454 1.00 0.00 C ATOM 294 C ALA A 21 83.622 2.026 6.652 1.00 0.00 C ATOM 295 O ALA A 21 83.217 0.865 6.667 1.00 0.00 O ATOM 296 CB ALA A 21 85.427 2.366 4.956 1.00 0.00 C ATOM 0 H ALA A 21 85.611 0.396 7.144 1.00 0.00 H new ATOM 0 HA ALA A 21 85.301 3.316 6.890 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.788 3.095 4.458 1.00 0.00 H new ATOM 0 HB2 ALA A 21 86.472 2.644 4.817 1.00 0.00 H new ATOM 0 HB3 ALA A 21 85.254 1.379 4.527 1.00 0.00 H new ATOM 302 N LEU A 22 82.818 3.085 6.813 1.00 0.00 N ATOM 303 CA LEU A 22 81.378 2.926 7.017 1.00 0.00 C ATOM 304 C LEU A 22 80.570 3.797 6.061 1.00 0.00 C ATOM 305 O LEU A 22 80.679 5.023 6.075 1.00 0.00 O ATOM 306 CB LEU A 22 80.999 3.302 8.460 1.00 0.00 C ATOM 307 CG LEU A 22 81.732 2.388 9.474 1.00 0.00 C ATOM 308 CD1 LEU A 22 83.080 3.001 9.874 1.00 0.00 C ATOM 309 CD2 LEU A 22 80.878 2.223 10.739 1.00 0.00 C ATOM 0 H LEU A 22 83.140 4.053 6.806 1.00 0.00 H new ATOM 0 HA LEU A 22 81.142 1.880 6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 22 81.257 4.344 8.649 1.00 0.00 H new ATOM 0 HB3 LEU A 22 79.921 3.211 8.594 1.00 0.00 H new ATOM 0 HG LEU A 22 81.897 1.420 9.002 1.00 0.00 H new ATOM 0 HD11 LEU A 22 83.581 2.345 10.587 1.00 0.00 H new ATOM 0 HD12 LEU A 22 83.704 3.118 8.988 1.00 0.00 H new ATOM 0 HD13 LEU A 22 82.915 3.976 10.332 1.00 0.00 H new ATOM 0 HD21 LEU A 22 81.399 1.579 11.448 1.00 0.00 H new ATOM 0 HD22 LEU A 22 80.707 3.199 11.193 1.00 0.00 H new ATOM 0 HD23 LEU A 22 79.921 1.773 10.476 1.00 0.00 H new ATOM 321 N PHE A 23 79.729 3.150 5.254 1.00 0.00 N ATOM 322 CA PHE A 23 78.861 3.855 4.310 1.00 0.00 C ATOM 323 C PHE A 23 77.410 3.692 4.741 1.00 0.00 C ATOM 324 O PHE A 23 76.808 2.644 4.514 1.00 0.00 O ATOM 325 CB PHE A 23 79.013 3.264 2.899 1.00 0.00 C ATOM 326 CG PHE A 23 80.231 3.823 2.207 1.00 0.00 C ATOM 327 CD1 PHE A 23 80.119 4.996 1.455 1.00 0.00 C ATOM 328 CD2 PHE A 23 81.458 3.157 2.292 1.00 0.00 C ATOM 329 CE1 PHE A 23 81.235 5.508 0.788 1.00 0.00 C ATOM 330 CE2 PHE A 23 82.574 3.667 1.622 1.00 0.00 C ATOM 331 CZ PHE A 23 82.462 4.843 0.869 1.00 0.00 C ATOM 0 H PHE A 23 79.630 2.135 5.235 1.00 0.00 H new ATOM 0 HA PHE A 23 79.143 4.908 4.299 1.00 0.00 H new ATOM 0 HB2 PHE A 23 79.092 2.179 2.962 1.00 0.00 H new ATOM 0 HB3 PHE A 23 78.123 3.485 2.310 1.00 0.00 H new ATOM 0 HD1 PHE A 23 79.170 5.507 1.390 1.00 0.00 H new ATOM 0 HD2 PHE A 23 81.543 2.251 2.874 1.00 0.00 H new ATOM 0 HE1 PHE A 23 81.150 6.417 0.210 1.00 0.00 H new ATOM 0 HE2 PHE A 23 83.522 3.154 1.685 1.00 0.00 H new ATOM 0 HZ PHE A 23 83.324 5.236 0.351 1.00 0.00 H new ATOM 341 N GLU A 24 76.851 4.727 5.363 1.00 0.00 N ATOM 342 CA GLU A 24 75.461 4.678 5.816 1.00 0.00 C ATOM 343 C GLU A 24 74.620 5.668 5.022 1.00 0.00 C ATOM 344 O GLU A 24 75.069 6.770 4.708 1.00 0.00 O ATOM 345 CB GLU A 24 75.388 4.986 7.315 1.00 0.00 C ATOM 346 CG GLU A 24 75.839 6.419 7.586 1.00 0.00 C ATOM 347 CD GLU A 24 75.796 6.690 9.084 1.00 0.00 C ATOM 348 OE1 GLU A 24 74.784 6.381 9.692 1.00 0.00 O1- ATOM 349 OE2 GLU A 24 76.773 7.202 9.602 1.00 0.00 O ATOM 0 H GLU A 24 77.333 5.603 5.564 1.00 0.00 H new ATOM 0 HA GLU A 24 75.065 3.676 5.649 1.00 0.00 H new ATOM 0 HB2 GLU A 24 74.368 4.845 7.672 1.00 0.00 H new ATOM 0 HB3 GLU A 24 76.018 4.289 7.867 1.00 0.00 H new ATOM 0 HG2 GLU A 24 76.850 6.571 7.207 1.00 0.00 H new ATOM 0 HG3 GLU A 24 75.192 7.121 7.060 1.00 0.00 H new ATOM 356 N CYS A 25 73.405 5.249 4.678 1.00 0.00 N ATOM 357 CA CYS A 25 72.494 6.079 3.893 1.00 0.00 C ATOM 358 C CYS A 25 71.158 6.237 4.609 1.00 0.00 C ATOM 359 O CYS A 25 70.696 5.324 5.298 1.00 0.00 O ATOM 360 CB CYS A 25 72.274 5.423 2.523 1.00 0.00 C ATOM 361 SG CYS A 25 73.781 4.552 2.035 1.00 0.00 S ATOM 0 H CYS A 25 73.027 4.336 4.931 1.00 0.00 H new ATOM 0 HA CYS A 25 72.934 7.068 3.766 1.00 0.00 H new ATOM 0 HB2 CYS A 25 71.436 4.727 2.569 1.00 0.00 H new ATOM 0 HB3 CYS A 25 72.020 6.179 1.780 1.00 0.00 H new ATOM 0 HG CYS A 25 73.602 3.991 0.876 1.00 0.00 H new ATOM 367 N GLN A 26 70.536 7.397 4.415 1.00 0.00 N ATOM 368 CA GLN A 26 69.238 7.689 5.015 1.00 0.00 C ATOM 369 C GLN A 26 68.179 7.700 3.920 1.00 0.00 C ATOM 370 O GLN A 26 68.047 8.665 3.169 1.00 0.00 O ATOM 371 CB GLN A 26 69.295 9.042 5.722 1.00 0.00 C ATOM 372 CG GLN A 26 70.217 8.929 6.937 1.00 0.00 C ATOM 373 CD GLN A 26 70.370 10.287 7.613 1.00 0.00 C ATOM 374 OE1 GLN A 26 70.342 11.321 6.946 1.00 0.00 O ATOM 375 NE2 GLN A 26 70.537 10.345 8.905 1.00 0.00 N ATOM 0 H GLN A 26 70.913 8.153 3.844 1.00 0.00 H new ATOM 0 HA GLN A 26 68.983 6.926 5.750 1.00 0.00 H new ATOM 0 HB2 GLN A 26 69.663 9.808 5.040 1.00 0.00 H new ATOM 0 HB3 GLN A 26 68.296 9.346 6.034 1.00 0.00 H new ATOM 0 HG2 GLN A 26 69.810 8.207 7.645 1.00 0.00 H new ATOM 0 HG3 GLN A 26 71.194 8.557 6.628 1.00 0.00 H new ATOM 0 HE21 GLN A 26 70.560 9.487 9.455 1.00 0.00 H new ATOM 0 HE22 GLN A 26 70.645 11.249 9.365 1.00 0.00 H new ATOM 384 N LEU A 27 67.455 6.590 3.820 1.00 0.00 N ATOM 385 CA LEU A 27 66.421 6.408 2.798 1.00 0.00 C ATOM 386 C LEU A 27 65.024 6.340 3.424 1.00 0.00 C ATOM 387 O LEU A 27 64.797 5.598 4.379 1.00 0.00 O ATOM 388 CB LEU A 27 66.768 5.111 2.027 1.00 0.00 C ATOM 389 CG LEU A 27 65.509 4.414 1.463 1.00 0.00 C ATOM 390 CD1 LEU A 27 65.925 3.487 0.312 1.00 0.00 C ATOM 391 CD2 LEU A 27 64.789 3.585 2.567 1.00 0.00 C ATOM 0 H LEU A 27 67.566 5.790 4.443 1.00 0.00 H new ATOM 0 HA LEU A 27 66.401 7.258 2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 27 67.448 5.347 1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 27 67.295 4.425 2.691 1.00 0.00 H new ATOM 0 HG LEU A 27 64.817 5.175 1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 27 65.043 2.991 -0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 27 66.403 4.073 -0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 27 66.625 2.738 0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 27 63.907 3.105 2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 27 65.468 2.823 2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 27 64.488 4.246 3.380 1.00 0.00 H new ATOM 403 N SER A 28 64.082 7.114 2.861 1.00 0.00 N ATOM 404 CA SER A 28 62.700 7.123 3.357 1.00 0.00 C ATOM 405 C SER A 28 61.829 6.205 2.505 1.00 0.00 C ATOM 406 O SER A 28 61.295 6.610 1.482 1.00 0.00 O ATOM 407 CB SER A 28 62.122 8.539 3.324 1.00 0.00 C ATOM 408 OG SER A 28 60.928 8.568 4.097 1.00 0.00 O ATOM 0 H SER A 28 64.251 7.735 2.070 1.00 0.00 H new ATOM 0 HA SER A 28 62.709 6.766 4.387 1.00 0.00 H new ATOM 0 HB2 SER A 28 62.846 9.251 3.721 1.00 0.00 H new ATOM 0 HB3 SER A 28 61.913 8.837 2.297 1.00 0.00 H new ATOM 0 HG SER A 28 60.551 9.472 4.083 1.00 0.00 H new ATOM 414 N GLN A 29 61.713 4.971 2.953 1.00 0.00 N ATOM 415 CA GLN A 29 60.938 3.942 2.276 1.00 0.00 C ATOM 416 C GLN A 29 60.917 2.690 3.165 1.00 0.00 C ATOM 417 O GLN A 29 61.944 2.024 3.299 1.00 0.00 O ATOM 418 CB GLN A 29 61.592 3.596 0.930 1.00 0.00 C ATOM 419 CG GLN A 29 60.605 2.794 0.076 1.00 0.00 C ATOM 420 CD GLN A 29 61.298 2.258 -1.174 1.00 0.00 C ATOM 421 OE1 GLN A 29 60.655 1.639 -2.022 1.00 0.00 O ATOM 422 NE2 GLN A 29 62.575 2.460 -1.341 1.00 0.00 N ATOM 0 H GLN A 29 62.160 4.647 3.810 1.00 0.00 H new ATOM 0 HA GLN A 29 59.924 4.300 2.096 1.00 0.00 H new ATOM 0 HB2 GLN A 29 61.883 4.508 0.409 1.00 0.00 H new ATOM 0 HB3 GLN A 29 62.502 3.018 1.093 1.00 0.00 H new ATOM 0 HG2 GLN A 29 60.199 1.966 0.658 1.00 0.00 H new ATOM 0 HG3 GLN A 29 59.764 3.426 -0.209 1.00 0.00 H new ATOM 0 HE21 GLN A 29 63.106 2.973 -0.638 1.00 0.00 H new ATOM 0 HE22 GLN A 29 63.043 2.105 -2.175 1.00 0.00 H new ATOM 431 N PRO A 30 59.811 2.357 3.801 1.00 0.00 N ATOM 432 CA PRO A 30 59.772 1.167 4.695 1.00 0.00 C ATOM 433 C PRO A 30 60.054 -0.145 3.953 1.00 0.00 C ATOM 434 O PRO A 30 60.516 -1.112 4.560 1.00 0.00 O ATOM 435 CB PRO A 30 58.361 1.175 5.333 1.00 0.00 C ATOM 436 CG PRO A 30 57.626 2.378 4.788 1.00 0.00 C ATOM 437 CD PRO A 30 58.517 3.059 3.735 1.00 0.00 C ATOM 0 HA PRO A 30 60.558 1.224 5.448 1.00 0.00 H new ATOM 0 HB2 PRO A 30 57.826 0.257 5.092 1.00 0.00 H new ATOM 0 HB3 PRO A 30 58.431 1.228 6.419 1.00 0.00 H new ATOM 0 HG2 PRO A 30 56.679 2.073 4.343 1.00 0.00 H new ATOM 0 HG3 PRO A 30 57.391 3.075 5.593 1.00 0.00 H new ATOM 0 HD2 PRO A 30 58.078 2.981 2.740 1.00 0.00 H new ATOM 0 HD3 PRO A 30 58.635 4.121 3.949 1.00 0.00 H new ATOM 445 N GLU A 31 59.782 -0.182 2.650 1.00 0.00 N ATOM 446 CA GLU A 31 60.028 -1.399 1.870 1.00 0.00 C ATOM 447 C GLU A 31 60.337 -1.077 0.411 1.00 0.00 C ATOM 448 O GLU A 31 59.714 -0.198 -0.186 1.00 0.00 O ATOM 449 CB GLU A 31 58.810 -2.326 1.949 1.00 0.00 C ATOM 450 CG GLU A 31 57.567 -1.612 1.408 1.00 0.00 C ATOM 451 CD GLU A 31 56.374 -2.561 1.436 1.00 0.00 C ATOM 452 OE1 GLU A 31 56.562 -3.726 1.128 1.00 0.00 O ATOM 453 OE2 GLU A 31 55.288 -2.111 1.765 1.00 0.00 O1- ATOM 0 H GLU A 31 59.398 0.599 2.118 1.00 0.00 H new ATOM 0 HA GLU A 31 60.898 -1.898 2.297 1.00 0.00 H new ATOM 0 HB2 GLU A 31 58.996 -3.233 1.374 1.00 0.00 H new ATOM 0 HB3 GLU A 31 58.642 -2.631 2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 31 57.354 -0.728 2.008 1.00 0.00 H new ATOM 0 HG3 GLU A 31 57.747 -1.270 0.389 1.00 0.00 H new ATOM 460 N VAL A 32 61.304 -1.800 -0.165 1.00 0.00 N ATOM 461 CA VAL A 32 61.687 -1.594 -1.565 1.00 0.00 C ATOM 462 C VAL A 32 61.564 -2.901 -2.347 1.00 0.00 C ATOM 463 O VAL A 32 62.221 -3.893 -2.032 1.00 0.00 O ATOM 464 CB VAL A 32 63.125 -1.068 -1.650 1.00 0.00 C ATOM 465 CG1 VAL A 32 64.080 -2.011 -0.906 1.00 0.00 C ATOM 466 CG2 VAL A 32 63.537 -0.963 -3.121 1.00 0.00 C ATOM 0 H VAL A 32 61.833 -2.529 0.314 1.00 0.00 H new ATOM 0 HA VAL A 32 61.014 -0.857 -2.003 1.00 0.00 H new ATOM 0 HB VAL A 32 63.176 -0.084 -1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 32 65.098 -1.626 -0.974 1.00 0.00 H new ATOM 0 HG12 VAL A 32 63.785 -2.075 0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 32 64.036 -3.003 -1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 32 64.559 -0.589 -3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 32 63.480 -1.947 -3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 32 62.866 -0.278 -3.639 1.00 0.00 H new ATOM 476 N ALA A 33 60.695 -2.891 -3.354 1.00 0.00 N ATOM 477 CA ALA A 33 60.446 -4.074 -4.177 1.00 0.00 C ATOM 478 C ALA A 33 61.508 -4.246 -5.264 1.00 0.00 C ATOM 479 O ALA A 33 61.443 -5.190 -6.050 1.00 0.00 O ATOM 480 CB ALA A 33 59.064 -3.968 -4.830 1.00 0.00 C ATOM 0 H ALA A 33 60.148 -2.073 -3.622 1.00 0.00 H new ATOM 0 HA ALA A 33 60.488 -4.945 -3.524 1.00 0.00 H new ATOM 0 HB1 ALA A 33 58.882 -4.851 -5.442 1.00 0.00 H new ATOM 0 HB2 ALA A 33 58.300 -3.900 -4.056 1.00 0.00 H new ATOM 0 HB3 ALA A 33 59.025 -3.077 -5.457 1.00 0.00 H new ATOM 486 N ALA A 34 62.474 -3.336 -5.315 1.00 0.00 N ATOM 487 CA ALA A 34 63.525 -3.423 -6.324 1.00 0.00 C ATOM 488 C ALA A 34 64.731 -2.580 -5.918 1.00 0.00 C ATOM 489 O ALA A 34 64.658 -1.350 -5.899 1.00 0.00 O ATOM 490 CB ALA A 34 62.986 -2.934 -7.669 1.00 0.00 C ATOM 0 H ALA A 34 62.552 -2.541 -4.681 1.00 0.00 H new ATOM 0 HA ALA A 34 63.840 -4.463 -6.411 1.00 0.00 H new ATOM 0 HB1 ALA A 34 63.772 -3.000 -8.421 1.00 0.00 H new ATOM 0 HB2 ALA A 34 62.142 -3.555 -7.970 1.00 0.00 H new ATOM 0 HB3 ALA A 34 62.659 -1.898 -7.575 1.00 0.00 H new ATOM 496 N HIS A 35 65.841 -3.246 -5.592 1.00 0.00 N ATOM 497 CA HIS A 35 67.059 -2.538 -5.183 1.00 0.00 C ATOM 498 C HIS A 35 68.315 -3.293 -5.613 1.00 0.00 C ATOM 499 O HIS A 35 68.424 -4.503 -5.420 1.00 0.00 O ATOM 500 CB HIS A 35 67.067 -2.368 -3.661 1.00 0.00 C ATOM 501 CG HIS A 35 66.690 -3.669 -3.006 1.00 0.00 C ATOM 502 ND1 HIS A 35 65.445 -4.249 -3.184 1.00 0.00 N ATOM 503 CD2 HIS A 35 67.380 -4.511 -2.168 1.00 0.00 C ATOM 504 CE1 HIS A 35 65.421 -5.387 -2.467 1.00 0.00 C ATOM 505 NE2 HIS A 35 66.576 -5.595 -1.827 1.00 0.00 N ATOM 0 H HIS A 35 65.923 -4.263 -5.602 1.00 0.00 H new ATOM 0 HA HIS A 35 67.062 -1.563 -5.671 1.00 0.00 H new ATOM 0 HB2 HIS A 35 68.055 -2.053 -3.325 1.00 0.00 H new ATOM 0 HB3 HIS A 35 66.367 -1.586 -3.369 1.00 0.00 H new ATOM 0 HD2 HIS A 35 68.392 -4.356 -1.826 1.00 0.00 H new ATOM 0 HE1 HIS A 35 64.572 -6.052 -2.415 1.00 0.00 H new ATOM 0 HE2 HIS A 35 66.816 -6.379 -1.220 1.00 0.00 H new ATOM 513 N THR A 36 69.270 -2.552 -6.184 1.00 0.00 N ATOM 514 CA THR A 36 70.542 -3.129 -6.631 1.00 0.00 C ATOM 515 C THR A 36 71.707 -2.307 -6.089 1.00 0.00 C ATOM 516 O THR A 36 71.752 -1.092 -6.278 1.00 0.00 O ATOM 517 CB THR A 36 70.607 -3.137 -8.157 1.00 0.00 C ATOM 518 OG1 THR A 36 69.537 -3.917 -8.672 1.00 0.00 O ATOM 519 CG2 THR A 36 71.942 -3.732 -8.607 1.00 0.00 C ATOM 0 H THR A 36 69.186 -1.549 -6.348 1.00 0.00 H new ATOM 0 HA THR A 36 70.609 -4.151 -6.257 1.00 0.00 H new ATOM 0 HB THR A 36 70.522 -2.117 -8.531 1.00 0.00 H new ATOM 0 HG1 THR A 36 69.577 -3.921 -9.651 1.00 0.00 H new ATOM 0 HG21 THR A 36 71.989 -3.738 -9.696 1.00 0.00 H new ATOM 0 HG22 THR A 36 72.760 -3.130 -8.212 1.00 0.00 H new ATOM 0 HG23 THR A 36 72.030 -4.753 -8.234 1.00 0.00 H new ATOM 527 N TRP A 37 72.640 -2.968 -5.401 1.00 0.00 N ATOM 528 CA TRP A 37 73.798 -2.279 -4.820 1.00 0.00 C ATOM 529 C TRP A 37 75.108 -2.893 -5.317 1.00 0.00 C ATOM 530 O TRP A 37 75.502 -3.977 -4.888 1.00 0.00 O ATOM 531 CB TRP A 37 73.722 -2.381 -3.291 1.00 0.00 C ATOM 532 CG TRP A 37 74.586 -1.339 -2.634 1.00 0.00 C ATOM 533 CD1 TRP A 37 75.580 -0.635 -3.233 1.00 0.00 C ATOM 534 CD2 TRP A 37 74.542 -0.875 -1.251 1.00 0.00 C ATOM 535 NE1 TRP A 37 76.139 0.227 -2.307 1.00 0.00 N ATOM 536 CE2 TRP A 37 75.535 0.117 -1.073 1.00 0.00 C ATOM 537 CE3 TRP A 37 73.740 -1.215 -0.145 1.00 0.00 C ATOM 538 CZ2 TRP A 37 75.728 0.748 0.155 1.00 0.00 C ATOM 539 CZ3 TRP A 37 73.933 -0.581 1.093 1.00 0.00 C ATOM 540 CH2 TRP A 37 74.924 0.399 1.243 1.00 0.00 C ATOM 0 H TRP A 37 72.619 -3.974 -5.232 1.00 0.00 H new ATOM 0 HA TRP A 37 73.778 -1.233 -5.128 1.00 0.00 H new ATOM 0 HB2 TRP A 37 72.689 -2.258 -2.966 1.00 0.00 H new ATOM 0 HB3 TRP A 37 74.040 -3.374 -2.974 1.00 0.00 H new ATOM 0 HD1 TRP A 37 75.885 -0.732 -4.265 1.00 0.00 H new ATOM 0 HE1 TRP A 37 76.906 0.867 -2.513 1.00 0.00 H new ATOM 0 HE3 TRP A 37 72.972 -1.967 -0.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 76.494 1.502 0.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 73.313 -0.850 1.936 1.00 0.00 H new ATOM 0 HH2 TRP A 37 75.066 0.883 2.198 1.00 0.00 H new ATOM 551 N LEU A 38 75.780 -2.173 -6.217 1.00 0.00 N ATOM 552 CA LEU A 38 77.059 -2.627 -6.771 1.00 0.00 C ATOM 553 C LEU A 38 78.126 -1.544 -6.647 1.00 0.00 C ATOM 554 O LEU A 38 78.032 -0.481 -7.261 1.00 0.00 O ATOM 555 CB LEU A 38 76.900 -2.994 -8.248 1.00 0.00 C ATOM 556 CG LEU A 38 75.901 -4.146 -8.405 1.00 0.00 C ATOM 557 CD1 LEU A 38 75.653 -4.387 -9.898 1.00 0.00 C ATOM 558 CD2 LEU A 38 76.461 -5.432 -7.767 1.00 0.00 C ATOM 0 H LEU A 38 75.461 -1.274 -6.578 1.00 0.00 H new ATOM 0 HA LEU A 38 77.370 -3.503 -6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 38 76.556 -2.126 -8.810 1.00 0.00 H new ATOM 0 HB3 LEU A 38 77.865 -3.281 -8.664 1.00 0.00 H new ATOM 0 HG LEU A 38 74.969 -3.883 -7.905 1.00 0.00 H new ATOM 0 HD11 LEU A 38 74.943 -5.205 -10.022 1.00 0.00 H new ATOM 0 HD12 LEU A 38 75.246 -3.482 -10.350 1.00 0.00 H new ATOM 0 HD13 LEU A 38 76.593 -4.645 -10.386 1.00 0.00 H new ATOM 0 HD21 LEU A 38 75.740 -6.241 -7.886 1.00 0.00 H new ATOM 0 HD22 LEU A 38 77.396 -5.704 -8.257 1.00 0.00 H new ATOM 0 HD23 LEU A 38 76.643 -5.262 -6.706 1.00 0.00 H new ATOM 570 N LEU A 39 79.150 -1.839 -5.854 1.00 0.00 N ATOM 571 CA LEU A 39 80.253 -0.919 -5.648 1.00 0.00 C ATOM 572 C LEU A 39 81.310 -1.364 -6.625 1.00 0.00 C ATOM 573 O LEU A 39 81.084 -1.299 -7.833 1.00 0.00 O ATOM 574 CB LEU A 39 80.743 -0.976 -4.173 1.00 0.00 C ATOM 575 CG LEU A 39 80.299 -2.280 -3.494 1.00 0.00 C ATOM 576 CD1 LEU A 39 81.044 -3.466 -4.110 1.00 0.00 C ATOM 577 CD2 LEU A 39 80.620 -2.203 -1.999 1.00 0.00 C ATOM 0 H LEU A 39 79.235 -2.717 -5.341 1.00 0.00 H new ATOM 0 HA LEU A 39 79.977 0.122 -5.818 1.00 0.00 H new ATOM 0 HB2 LEU A 39 81.830 -0.899 -4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 39 80.348 -0.122 -3.622 1.00 0.00 H new ATOM 0 HG LEU A 39 79.227 -2.415 -3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 39 80.725 -4.388 -3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 39 80.822 -3.521 -5.176 1.00 0.00 H new ATOM 0 HD13 LEU A 39 82.117 -3.334 -3.969 1.00 0.00 H new ATOM 0 HD21 LEU A 39 80.307 -3.126 -1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 39 81.693 -2.067 -1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 39 80.089 -1.361 -1.556 1.00 0.00 H new ATOM 589 N ASP A 40 82.423 -1.895 -6.154 1.00 0.00 N ATOM 590 CA ASP A 40 83.386 -2.407 -7.084 1.00 0.00 C ATOM 591 C ASP A 40 82.630 -3.446 -7.909 1.00 0.00 C ATOM 592 O ASP A 40 81.521 -3.836 -7.541 1.00 0.00 O ATOM 593 CB ASP A 40 84.580 -3.041 -6.360 1.00 0.00 C ATOM 594 CG ASP A 40 85.686 -3.357 -7.359 1.00 0.00 C ATOM 595 OD1 ASP A 40 85.455 -3.184 -8.544 1.00 0.00 O ATOM 596 OD2 ASP A 40 86.751 -3.764 -6.925 1.00 0.00 O1- ATOM 0 H ASP A 40 82.669 -1.978 -5.168 1.00 0.00 H new ATOM 0 HA ASP A 40 83.803 -1.616 -7.707 1.00 0.00 H new ATOM 0 HB2 ASP A 40 84.954 -2.362 -5.594 1.00 0.00 H new ATOM 0 HB3 ASP A 40 84.266 -3.953 -5.852 1.00 0.00 H new ATOM 601 N ASP A 41 83.170 -3.833 -9.025 1.00 0.00 N ATOM 602 CA ASP A 41 82.482 -4.770 -9.904 1.00 0.00 C ATOM 603 C ASP A 41 82.311 -6.151 -9.264 1.00 0.00 C ATOM 604 O ASP A 41 82.398 -7.173 -9.945 1.00 0.00 O ATOM 605 CB ASP A 41 83.260 -4.901 -11.220 1.00 0.00 C ATOM 606 CG ASP A 41 83.066 -3.651 -12.078 1.00 0.00 C ATOM 607 OD1 ASP A 41 82.076 -2.964 -11.881 1.00 0.00 O ATOM 608 OD2 ASP A 41 83.915 -3.396 -12.915 1.00 0.00 O1- ATOM 0 H ASP A 41 84.082 -3.524 -9.360 1.00 0.00 H new ATOM 0 HA ASP A 41 81.484 -4.374 -10.092 1.00 0.00 H new ATOM 0 HB2 ASP A 41 84.320 -5.046 -11.011 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.920 -5.781 -11.765 1.00 0.00 H new ATOM 613 N GLU A 42 82.017 -6.176 -7.955 1.00 0.00 N ATOM 614 CA GLU A 42 81.773 -7.440 -7.243 1.00 0.00 C ATOM 615 C GLU A 42 80.498 -7.288 -6.405 1.00 0.00 C ATOM 616 O GLU A 42 80.316 -6.255 -5.761 1.00 0.00 O ATOM 617 CB GLU A 42 82.954 -7.788 -6.316 1.00 0.00 C ATOM 618 CG GLU A 42 84.169 -8.209 -7.153 1.00 0.00 C ATOM 619 CD GLU A 42 84.846 -6.981 -7.750 1.00 0.00 C ATOM 620 OE1 GLU A 42 84.925 -5.977 -7.061 1.00 0.00 O ATOM 621 OE2 GLU A 42 85.277 -7.061 -8.889 1.00 0.00 O1- ATOM 0 H GLU A 42 81.943 -5.342 -7.372 1.00 0.00 H new ATOM 0 HA GLU A 42 81.663 -8.243 -7.971 1.00 0.00 H new ATOM 0 HB2 GLU A 42 83.208 -6.927 -5.698 1.00 0.00 H new ATOM 0 HB3 GLU A 42 82.671 -8.594 -5.639 1.00 0.00 H new ATOM 0 HG2 GLU A 42 84.876 -8.757 -6.531 1.00 0.00 H new ATOM 0 HG3 GLU A 42 83.855 -8.884 -7.949 1.00 0.00 H new ATOM 628 N PRO A 43 79.605 -8.259 -6.386 1.00 0.00 N ATOM 629 CA PRO A 43 78.362 -8.126 -5.584 1.00 0.00 C ATOM 630 C PRO A 43 78.716 -7.792 -4.140 1.00 0.00 C ATOM 631 O PRO A 43 79.677 -8.335 -3.592 1.00 0.00 O ATOM 632 CB PRO A 43 77.648 -9.493 -5.692 1.00 0.00 C ATOM 633 CG PRO A 43 78.493 -10.370 -6.588 1.00 0.00 C ATOM 634 CD PRO A 43 79.682 -9.538 -7.107 1.00 0.00 C ATOM 0 HA PRO A 43 77.717 -7.324 -5.943 1.00 0.00 H new ATOM 0 HB2 PRO A 43 77.534 -9.946 -4.707 1.00 0.00 H new ATOM 0 HB3 PRO A 43 76.647 -9.372 -6.105 1.00 0.00 H new ATOM 0 HG2 PRO A 43 78.851 -11.240 -6.038 1.00 0.00 H new ATOM 0 HG3 PRO A 43 77.899 -10.743 -7.422 1.00 0.00 H new ATOM 0 HD2 PRO A 43 80.629 -10.042 -6.914 1.00 0.00 H new ATOM 0 HD3 PRO A 43 79.616 -9.387 -8.184 1.00 0.00 H new ATOM 642 N VAL A 44 77.978 -6.866 -3.537 1.00 0.00 N ATOM 643 CA VAL A 44 78.290 -6.449 -2.175 1.00 0.00 C ATOM 644 C VAL A 44 77.596 -7.300 -1.115 1.00 0.00 C ATOM 645 O VAL A 44 76.546 -6.947 -0.579 1.00 0.00 O ATOM 646 CB VAL A 44 77.928 -4.979 -2.001 1.00 0.00 C ATOM 647 CG1 VAL A 44 76.418 -4.755 -2.213 1.00 0.00 C ATOM 648 CG2 VAL A 44 78.337 -4.524 -0.599 1.00 0.00 C ATOM 0 H VAL A 44 77.176 -6.398 -3.959 1.00 0.00 H new ATOM 0 HA VAL A 44 79.360 -6.592 -2.027 1.00 0.00 H new ATOM 0 HB VAL A 44 78.462 -4.392 -2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 44 76.185 -3.698 -2.083 1.00 0.00 H new ATOM 0 HG12 VAL A 44 76.142 -5.066 -3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 44 75.857 -5.342 -1.485 1.00 0.00 H new ATOM 0 HG21 VAL A 44 78.081 -3.473 -0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 44 77.810 -5.121 0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 44 79.412 -4.653 -0.474 1.00 0.00 H new ATOM 658 N ARG A 45 78.261 -8.396 -0.786 1.00 0.00 N ATOM 659 CA ARG A 45 77.829 -9.322 0.253 1.00 0.00 C ATOM 660 C ARG A 45 79.100 -9.846 0.896 1.00 0.00 C ATOM 661 O ARG A 45 79.654 -9.226 1.788 1.00 0.00 O ATOM 662 CB ARG A 45 77.018 -10.490 -0.332 1.00 0.00 C ATOM 663 CG ARG A 45 75.578 -10.057 -0.663 1.00 0.00 C ATOM 664 CD ARG A 45 74.691 -10.159 0.588 1.00 0.00 C ATOM 665 NE ARG A 45 74.530 -11.554 0.987 1.00 0.00 N ATOM 666 CZ ARG A 45 74.072 -11.873 2.194 1.00 0.00 C ATOM 667 NH1 ARG A 45 72.999 -11.295 2.659 1.00 0.00 N ATOM 668 NH2 ARG A 45 74.696 -12.765 2.914 1.00 0.00 N1+ ATOM 0 H ARG A 45 79.131 -8.673 -1.240 1.00 0.00 H new ATOM 0 HA ARG A 45 77.180 -8.819 0.970 1.00 0.00 H new ATOM 0 HB2 ARG A 45 77.506 -10.859 -1.234 1.00 0.00 H new ATOM 0 HB3 ARG A 45 76.998 -11.315 0.380 1.00 0.00 H new ATOM 0 HG2 ARG A 45 75.575 -9.033 -1.037 1.00 0.00 H new ATOM 0 HG3 ARG A 45 75.175 -10.687 -1.456 1.00 0.00 H new ATOM 0 HD2 ARG A 45 75.136 -9.590 1.404 1.00 0.00 H new ATOM 0 HD3 ARG A 45 73.715 -9.717 0.386 1.00 0.00 H new ATOM 0 HE ARG A 45 74.773 -12.295 0.330 1.00 0.00 H new ATOM 0 HH11 ARG A 45 72.511 -10.598 2.097 1.00 0.00 H new ATOM 0 HH12 ARG A 45 72.648 -11.540 3.585 1.00 0.00 H new ATOM 0 HH21 ARG A 45 75.535 -13.217 2.551 1.00 0.00 H new ATOM 0 HH22 ARG A 45 74.345 -13.010 3.840 1.00 0.00 H new ATOM 682 N THR A 46 79.576 -10.964 0.380 1.00 0.00 N ATOM 683 CA THR A 46 80.828 -11.564 0.848 1.00 0.00 C ATOM 684 C THR A 46 80.760 -11.990 2.326 1.00 0.00 C ATOM 685 O THR A 46 79.849 -12.718 2.720 1.00 0.00 O ATOM 686 CB THR A 46 81.981 -10.567 0.619 1.00 0.00 C ATOM 687 OG1 THR A 46 82.078 -9.696 1.735 1.00 0.00 O ATOM 688 CG2 THR A 46 81.723 -9.735 -0.647 1.00 0.00 C ATOM 0 H THR A 46 79.117 -11.483 -0.368 1.00 0.00 H new ATOM 0 HA THR A 46 81.004 -12.474 0.274 1.00 0.00 H new ATOM 0 HB THR A 46 82.910 -11.124 0.497 1.00 0.00 H new ATOM 0 HG1 THR A 46 81.180 -9.487 2.066 1.00 0.00 H new ATOM 0 HG21 THR A 46 82.545 -9.035 -0.796 1.00 0.00 H new ATOM 0 HG22 THR A 46 81.649 -10.398 -1.509 1.00 0.00 H new ATOM 0 HG23 THR A 46 80.791 -9.181 -0.535 1.00 0.00 H new ATOM 696 N SER A 47 81.754 -11.579 3.136 1.00 0.00 N ATOM 697 CA SER A 47 81.810 -11.978 4.555 1.00 0.00 C ATOM 698 C SER A 47 82.118 -10.792 5.474 1.00 0.00 C ATOM 699 O SER A 47 81.775 -9.661 5.187 1.00 0.00 O ATOM 700 CB SER A 47 82.911 -13.030 4.718 1.00 0.00 C ATOM 701 OG SER A 47 84.121 -12.394 5.111 1.00 0.00 O ATOM 0 H SER A 47 82.521 -10.977 2.836 1.00 0.00 H new ATOM 0 HA SER A 47 80.835 -12.374 4.838 1.00 0.00 H new ATOM 0 HB2 SER A 47 82.616 -13.767 5.465 1.00 0.00 H new ATOM 0 HB3 SER A 47 83.058 -13.567 3.781 1.00 0.00 H new ATOM 0 HG SER A 47 84.825 -13.067 5.217 1.00 0.00 H new ATOM 707 N GLU A 48 82.762 -11.062 6.600 1.00 0.00 N ATOM 708 CA GLU A 48 83.086 -9.994 7.540 1.00 0.00 C ATOM 709 C GLU A 48 83.838 -8.867 6.830 1.00 0.00 C ATOM 710 O GLU A 48 83.558 -7.689 7.052 1.00 0.00 O ATOM 711 CB GLU A 48 83.939 -10.545 8.684 1.00 0.00 C ATOM 712 CG GLU A 48 83.116 -11.529 9.526 1.00 0.00 C ATOM 713 CD GLU A 48 81.959 -10.804 10.207 1.00 0.00 C ATOM 714 OE1 GLU A 48 82.033 -9.590 10.322 1.00 0.00 O ATOM 715 OE2 GLU A 48 81.019 -11.471 10.606 1.00 0.00 O1- ATOM 0 H GLU A 48 83.067 -11.993 6.884 1.00 0.00 H new ATOM 0 HA GLU A 48 82.156 -9.595 7.945 1.00 0.00 H new ATOM 0 HB2 GLU A 48 84.820 -11.046 8.283 1.00 0.00 H new ATOM 0 HB3 GLU A 48 84.295 -9.727 9.310 1.00 0.00 H new ATOM 0 HG2 GLU A 48 82.731 -12.327 8.892 1.00 0.00 H new ATOM 0 HG3 GLU A 48 83.753 -11.997 10.276 1.00 0.00 H new ATOM 722 N ASN A 49 84.796 -9.232 5.987 1.00 0.00 N ATOM 723 CA ASN A 49 85.581 -8.230 5.268 1.00 0.00 C ATOM 724 C ASN A 49 84.704 -7.414 4.312 1.00 0.00 C ATOM 725 O ASN A 49 85.214 -6.649 3.494 1.00 0.00 O ATOM 726 CB ASN A 49 86.704 -8.904 4.477 1.00 0.00 C ATOM 727 CG ASN A 49 87.542 -7.847 3.766 1.00 0.00 C ATOM 728 OD1 ASN A 49 87.395 -7.643 2.561 1.00 0.00 O ATOM 729 ND2 ASN A 49 88.417 -7.160 4.446 1.00 0.00 N ATOM 0 H ASN A 49 85.048 -10.199 5.784 1.00 0.00 H new ATOM 0 HA ASN A 49 86.009 -7.553 6.008 1.00 0.00 H new ATOM 0 HB2 ASN A 49 87.333 -9.489 5.148 1.00 0.00 H new ATOM 0 HB3 ASN A 49 86.283 -9.597 3.749 1.00 0.00 H new ATOM 0 HD21 ASN A 49 88.982 -6.451 3.980 1.00 0.00 H new ATOM 0 HD22 ASN A 49 88.536 -7.332 5.444 1.00 0.00 H new ATOM 736 N ALA A 50 83.388 -7.579 4.421 1.00 0.00 N ATOM 737 CA ALA A 50 82.451 -6.852 3.566 1.00 0.00 C ATOM 738 C ALA A 50 81.058 -7.461 3.721 1.00 0.00 C ATOM 739 O ALA A 50 80.899 -8.658 3.539 1.00 0.00 O ATOM 740 CB ALA A 50 82.923 -6.942 2.107 1.00 0.00 C ATOM 0 H ALA A 50 82.946 -8.208 5.091 1.00 0.00 H new ATOM 0 HA ALA A 50 82.411 -5.802 3.856 1.00 0.00 H new ATOM 0 HB1 ALA A 50 82.227 -6.401 1.465 1.00 0.00 H new ATOM 0 HB2 ALA A 50 83.916 -6.501 2.018 1.00 0.00 H new ATOM 0 HB3 ALA A 50 82.961 -7.987 1.801 1.00 0.00 H new ATOM 746 N GLU A 51 80.047 -6.638 4.007 1.00 0.00 N ATOM 747 CA GLU A 51 78.674 -7.148 4.151 1.00 0.00 C ATOM 748 C GLU A 51 77.711 -6.013 4.473 1.00 0.00 C ATOM 749 O GLU A 51 78.056 -5.114 5.239 1.00 0.00 O ATOM 750 CB GLU A 51 78.602 -8.178 5.291 1.00 0.00 C ATOM 751 CG GLU A 51 77.175 -8.728 5.410 1.00 0.00 C ATOM 752 CD GLU A 51 77.128 -9.830 6.464 1.00 0.00 C ATOM 753 OE1 GLU A 51 78.184 -10.327 6.820 1.00 0.00 O1- ATOM 754 OE2 GLU A 51 76.037 -10.163 6.896 1.00 0.00 O ATOM 0 H GLU A 51 80.145 -5.632 4.142 1.00 0.00 H new ATOM 0 HA GLU A 51 78.394 -7.614 3.207 1.00 0.00 H new ATOM 0 HB2 GLU A 51 79.300 -8.993 5.101 1.00 0.00 H new ATOM 0 HB3 GLU A 51 78.902 -7.714 6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 51 76.488 -7.926 5.680 1.00 0.00 H new ATOM 0 HG3 GLU A 51 76.846 -9.119 4.447 1.00 0.00 H new ATOM 761 N VAL A 52 76.493 -6.050 3.918 1.00 0.00 N ATOM 762 CA VAL A 52 75.502 -5.010 4.198 1.00 0.00 C ATOM 763 C VAL A 52 74.583 -5.484 5.330 1.00 0.00 C ATOM 764 O VAL A 52 74.476 -6.684 5.583 1.00 0.00 O ATOM 765 CB VAL A 52 74.655 -4.725 2.939 1.00 0.00 C ATOM 766 CG1 VAL A 52 74.013 -3.340 3.052 1.00 0.00 C ATOM 767 CG2 VAL A 52 75.529 -4.771 1.677 1.00 0.00 C ATOM 0 H VAL A 52 76.175 -6.780 3.281 1.00 0.00 H new ATOM 0 HA VAL A 52 76.018 -4.096 4.492 1.00 0.00 H new ATOM 0 HB VAL A 52 73.882 -5.489 2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 52 73.416 -3.142 2.162 1.00 0.00 H new ATOM 0 HG12 VAL A 52 73.373 -3.307 3.933 1.00 0.00 H new ATOM 0 HG13 VAL A 52 74.793 -2.584 3.141 1.00 0.00 H new ATOM 0 HG21 VAL A 52 74.914 -4.568 0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 52 76.315 -4.019 1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 52 75.980 -5.759 1.582 1.00 0.00 H new ATOM 777 N VAL A 53 73.936 -4.544 6.015 1.00 0.00 N ATOM 778 CA VAL A 53 73.043 -4.885 7.129 1.00 0.00 C ATOM 779 C VAL A 53 71.835 -3.937 7.171 1.00 0.00 C ATOM 780 O VAL A 53 71.926 -2.786 6.743 1.00 0.00 O ATOM 781 CB VAL A 53 73.859 -4.823 8.427 1.00 0.00 C ATOM 782 CG1 VAL A 53 74.694 -3.548 8.433 1.00 0.00 C ATOM 783 CG2 VAL A 53 72.944 -4.840 9.654 1.00 0.00 C ATOM 0 H VAL A 53 74.010 -3.545 5.823 1.00 0.00 H new ATOM 0 HA VAL A 53 72.643 -5.891 7.000 1.00 0.00 H new ATOM 0 HB VAL A 53 74.507 -5.698 8.472 1.00 0.00 H new ATOM 0 HG11 VAL A 53 75.276 -3.499 9.353 1.00 0.00 H new ATOM 0 HG12 VAL A 53 75.368 -3.551 7.577 1.00 0.00 H new ATOM 0 HG13 VAL A 53 74.035 -2.681 8.373 1.00 0.00 H new ATOM 0 HG21 VAL A 53 73.549 -4.795 10.560 1.00 0.00 H new ATOM 0 HG22 VAL A 53 72.275 -3.980 9.621 1.00 0.00 H new ATOM 0 HG23 VAL A 53 72.355 -5.757 9.656 1.00 0.00 H new ATOM 793 N PHE A 54 70.692 -4.438 7.666 1.00 0.00 N ATOM 794 CA PHE A 54 69.456 -3.634 7.732 1.00 0.00 C ATOM 795 C PHE A 54 69.168 -3.108 9.141 1.00 0.00 C ATOM 796 O PHE A 54 69.338 -3.808 10.139 1.00 0.00 O ATOM 797 CB PHE A 54 68.250 -4.484 7.263 1.00 0.00 C ATOM 798 CG PHE A 54 68.063 -4.370 5.764 1.00 0.00 C ATOM 799 CD1 PHE A 54 69.069 -4.810 4.899 1.00 0.00 C ATOM 800 CD2 PHE A 54 66.879 -3.822 5.243 1.00 0.00 C ATOM 801 CE1 PHE A 54 68.897 -4.708 3.513 1.00 0.00 C ATOM 802 CE2 PHE A 54 66.708 -3.720 3.856 1.00 0.00 C ATOM 803 CZ PHE A 54 67.718 -4.163 2.992 1.00 0.00 C ATOM 0 H PHE A 54 70.596 -5.388 8.024 1.00 0.00 H new ATOM 0 HA PHE A 54 69.604 -2.776 7.077 1.00 0.00 H new ATOM 0 HB2 PHE A 54 68.406 -5.528 7.536 1.00 0.00 H new ATOM 0 HB3 PHE A 54 67.345 -4.153 7.773 1.00 0.00 H new ATOM 0 HD1 PHE A 54 69.980 -5.229 5.300 1.00 0.00 H new ATOM 0 HD2 PHE A 54 66.102 -3.480 5.910 1.00 0.00 H new ATOM 0 HE1 PHE A 54 69.674 -5.050 2.846 1.00 0.00 H new ATOM 0 HE2 PHE A 54 65.798 -3.300 3.453 1.00 0.00 H new ATOM 0 HZ PHE A 54 67.587 -4.084 1.923 1.00 0.00 H new ATOM 813 N PHE A 55 68.688 -1.862 9.184 1.00 0.00 N ATOM 814 CA PHE A 55 68.314 -1.199 10.435 1.00 0.00 C ATOM 815 C PHE A 55 66.991 -0.456 10.249 1.00 0.00 C ATOM 816 O PHE A 55 66.715 0.071 9.171 1.00 0.00 O ATOM 817 CB PHE A 55 69.401 -0.204 10.854 1.00 0.00 C ATOM 818 CG PHE A 55 70.587 -0.946 11.420 1.00 0.00 C ATOM 819 CD1 PHE A 55 70.575 -1.365 12.753 1.00 0.00 C ATOM 820 CD2 PHE A 55 71.701 -1.204 10.616 1.00 0.00 C ATOM 821 CE1 PHE A 55 71.679 -2.044 13.284 1.00 0.00 C ATOM 822 CE2 PHE A 55 72.803 -1.881 11.145 1.00 0.00 C ATOM 823 CZ PHE A 55 72.794 -2.303 12.478 1.00 0.00 C ATOM 0 H PHE A 55 68.548 -1.286 8.354 1.00 0.00 H new ATOM 0 HA PHE A 55 68.204 -1.955 11.213 1.00 0.00 H new ATOM 0 HB2 PHE A 55 69.710 0.393 9.996 1.00 0.00 H new ATOM 0 HB3 PHE A 55 69.006 0.488 11.597 1.00 0.00 H new ATOM 0 HD1 PHE A 55 69.714 -1.165 13.374 1.00 0.00 H new ATOM 0 HD2 PHE A 55 71.710 -0.880 9.586 1.00 0.00 H new ATOM 0 HE1 PHE A 55 71.670 -2.367 14.314 1.00 0.00 H new ATOM 0 HE2 PHE A 55 73.663 -2.079 10.523 1.00 0.00 H new ATOM 0 HZ PHE A 55 73.646 -2.828 12.885 1.00 0.00 H new ATOM 833 N GLU A 56 66.180 -0.404 11.303 1.00 0.00 N ATOM 834 CA GLU A 56 64.898 0.293 11.230 1.00 0.00 C ATOM 835 C GLU A 56 64.059 -0.204 10.045 1.00 0.00 C ATOM 836 O GLU A 56 63.366 0.573 9.391 1.00 0.00 O ATOM 837 CB GLU A 56 65.139 1.800 11.108 1.00 0.00 C ATOM 838 CG GLU A 56 65.653 2.369 12.437 1.00 0.00 C ATOM 839 CD GLU A 56 64.561 2.302 13.501 1.00 0.00 C ATOM 840 OE1 GLU A 56 63.431 2.004 13.149 1.00 0.00 O ATOM 841 OE2 GLU A 56 64.868 2.559 14.653 1.00 0.00 O1- ATOM 0 H GLU A 56 66.384 -0.830 12.207 1.00 0.00 H new ATOM 0 HA GLU A 56 64.342 0.084 12.144 1.00 0.00 H new ATOM 0 HB2 GLU A 56 65.863 1.996 10.317 1.00 0.00 H new ATOM 0 HB3 GLU A 56 64.213 2.301 10.824 1.00 0.00 H new ATOM 0 HG2 GLU A 56 66.527 1.807 12.767 1.00 0.00 H new ATOM 0 HG3 GLU A 56 65.972 3.402 12.299 1.00 0.00 H new ATOM 848 N ASN A 57 64.121 -1.510 9.791 1.00 0.00 N ATOM 849 CA ASN A 57 63.361 -2.128 8.700 1.00 0.00 C ATOM 850 C ASN A 57 63.771 -1.594 7.323 1.00 0.00 C ATOM 851 O ASN A 57 62.924 -1.375 6.458 1.00 0.00 O ATOM 852 CB ASN A 57 61.861 -1.897 8.902 1.00 0.00 C ATOM 853 CG ASN A 57 61.071 -2.814 7.972 1.00 0.00 C ATOM 854 OD1 ASN A 57 61.421 -3.984 7.808 1.00 0.00 O ATOM 855 ND2 ASN A 57 60.029 -2.348 7.342 1.00 0.00 N ATOM 0 H ASN A 57 64.691 -2.165 10.327 1.00 0.00 H new ATOM 0 HA ASN A 57 63.586 -3.194 8.726 1.00 0.00 H new ATOM 0 HB2 ASN A 57 61.589 -2.093 9.939 1.00 0.00 H new ATOM 0 HB3 ASN A 57 61.613 -0.855 8.699 1.00 0.00 H new ATOM 0 HD21 ASN A 57 59.502 -2.952 6.712 1.00 0.00 H new ATOM 0 HD22 ASN A 57 59.741 -1.379 7.479 1.00 0.00 H new ATOM 862 N GLY A 58 65.072 -1.425 7.117 1.00 0.00 N ATOM 863 CA GLY A 58 65.582 -0.960 5.825 1.00 0.00 C ATOM 864 C GLY A 58 65.437 0.545 5.651 1.00 0.00 C ATOM 865 O GLY A 58 65.801 1.092 4.609 1.00 0.00 O ATOM 0 H GLY A 58 65.791 -1.600 7.819 1.00 0.00 H new ATOM 0 HA2 GLY A 58 66.633 -1.234 5.733 1.00 0.00 H new ATOM 0 HA3 GLY A 58 65.048 -1.469 5.022 1.00 0.00 H new ATOM 869 N LEU A 59 64.932 1.216 6.671 1.00 0.00 N ATOM 870 CA LEU A 59 64.778 2.660 6.611 1.00 0.00 C ATOM 871 C LEU A 59 66.170 3.271 6.527 1.00 0.00 C ATOM 872 O LEU A 59 66.352 4.433 6.161 1.00 0.00 O ATOM 873 CB LEU A 59 64.063 3.133 7.871 1.00 0.00 C ATOM 874 CG LEU A 59 63.612 4.594 7.733 1.00 0.00 C ATOM 875 CD1 LEU A 59 62.479 4.716 6.692 1.00 0.00 C ATOM 876 CD2 LEU A 59 63.117 5.084 9.099 1.00 0.00 C ATOM 0 H LEU A 59 64.624 0.789 7.545 1.00 0.00 H new ATOM 0 HA LEU A 59 64.190 2.961 5.744 1.00 0.00 H new ATOM 0 HB2 LEU A 59 63.198 2.498 8.062 1.00 0.00 H new ATOM 0 HB3 LEU A 59 64.727 3.033 8.729 1.00 0.00 H new ATOM 0 HG LEU A 59 64.451 5.202 7.396 1.00 0.00 H new ATOM 0 HD11 LEU A 59 62.173 5.759 6.608 1.00 0.00 H new ATOM 0 HD12 LEU A 59 62.835 4.363 5.724 1.00 0.00 H new ATOM 0 HD13 LEU A 59 61.628 4.112 7.008 1.00 0.00 H new ATOM 0 HD21 LEU A 59 62.793 6.121 9.018 1.00 0.00 H new ATOM 0 HD22 LEU A 59 62.280 4.467 9.426 1.00 0.00 H new ATOM 0 HD23 LEU A 59 63.926 5.013 9.826 1.00 0.00 H new ATOM 888 N ARG A 60 67.146 2.432 6.853 1.00 0.00 N ATOM 889 CA ARG A 60 68.555 2.798 6.816 1.00 0.00 C ATOM 890 C ARG A 60 69.373 1.572 6.431 1.00 0.00 C ATOM 891 O ARG A 60 68.934 0.440 6.631 1.00 0.00 O ATOM 892 CB ARG A 60 69.013 3.320 8.182 1.00 0.00 C ATOM 893 CG ARG A 60 68.460 4.729 8.407 1.00 0.00 C ATOM 894 CD ARG A 60 68.834 5.210 9.811 1.00 0.00 C ATOM 895 NE ARG A 60 68.395 6.587 10.002 1.00 0.00 N ATOM 896 CZ ARG A 60 68.505 7.189 11.183 1.00 0.00 C ATOM 897 NH1 ARG A 60 69.264 6.677 12.112 1.00 0.00 N ATOM 898 NH2 ARG A 60 67.853 8.294 11.416 1.00 0.00 N1+ ATOM 0 H ARG A 60 66.980 1.471 7.153 1.00 0.00 H new ATOM 0 HA ARG A 60 68.701 3.590 6.081 1.00 0.00 H new ATOM 0 HB2 ARG A 60 68.667 2.653 8.972 1.00 0.00 H new ATOM 0 HB3 ARG A 60 70.102 3.334 8.230 1.00 0.00 H new ATOM 0 HG2 ARG A 60 68.862 5.412 7.659 1.00 0.00 H new ATOM 0 HG3 ARG A 60 67.376 4.728 8.289 1.00 0.00 H new ATOM 0 HD2 ARG A 60 68.373 4.566 10.560 1.00 0.00 H new ATOM 0 HD3 ARG A 60 69.913 5.141 9.952 1.00 0.00 H new ATOM 0 HE ARG A 60 67.996 7.099 9.215 1.00 0.00 H new ATOM 0 HH11 ARG A 60 69.775 5.813 11.934 1.00 0.00 H new ATOM 0 HH12 ARG A 60 69.346 7.141 13.017 1.00 0.00 H new ATOM 0 HH21 ARG A 60 67.258 8.697 10.692 1.00 0.00 H new ATOM 0 HH22 ARG A 60 67.938 8.755 12.322 1.00 0.00 H new ATOM 912 N HIS A 61 70.564 1.792 5.890 1.00 0.00 N ATOM 913 CA HIS A 61 71.431 0.677 5.500 1.00 0.00 C ATOM 914 C HIS A 61 72.888 1.038 5.753 1.00 0.00 C ATOM 915 O HIS A 61 73.320 2.141 5.427 1.00 0.00 O ATOM 916 CB HIS A 61 71.248 0.354 4.016 1.00 0.00 C ATOM 917 CG HIS A 61 69.825 -0.059 3.744 1.00 0.00 C ATOM 918 ND1 HIS A 61 68.942 0.751 3.046 1.00 0.00 N ATOM 919 CD2 HIS A 61 69.124 -1.200 4.049 1.00 0.00 C ATOM 920 CE1 HIS A 61 67.773 0.090 2.954 1.00 0.00 C ATOM 921 NE2 HIS A 61 67.829 -1.103 3.548 1.00 0.00 N ATOM 0 H HIS A 61 70.952 2.718 5.711 1.00 0.00 H new ATOM 0 HA HIS A 61 71.159 -0.194 6.095 1.00 0.00 H new ATOM 0 HB2 HIS A 61 71.503 1.225 3.413 1.00 0.00 H new ATOM 0 HB3 HIS A 61 71.928 -0.446 3.724 1.00 0.00 H new ATOM 0 HD2 HIS A 61 69.518 -2.045 4.595 1.00 0.00 H new ATOM 0 HE1 HIS A 61 66.895 0.479 2.459 1.00 0.00 H new ATOM 0 HE2 HIS A 61 67.083 -1.795 3.620 1.00 0.00 H new ATOM 929 N LEU A 62 73.649 0.105 6.328 1.00 0.00 N ATOM 930 CA LEU A 62 75.069 0.346 6.610 1.00 0.00 C ATOM 931 C LEU A 62 75.928 -0.761 6.016 1.00 0.00 C ATOM 932 O LEU A 62 75.582 -1.936 6.085 1.00 0.00 O ATOM 933 CB LEU A 62 75.315 0.415 8.124 1.00 0.00 C ATOM 934 CG LEU A 62 74.670 1.687 8.729 1.00 0.00 C ATOM 935 CD1 LEU A 62 73.241 1.395 9.191 1.00 0.00 C ATOM 936 CD2 LEU A 62 75.492 2.155 9.935 1.00 0.00 C ATOM 0 H LEU A 62 73.312 -0.817 6.606 1.00 0.00 H new ATOM 0 HA LEU A 62 75.342 1.298 6.156 1.00 0.00 H new ATOM 0 HB2 LEU A 62 74.902 -0.472 8.605 1.00 0.00 H new ATOM 0 HB3 LEU A 62 76.387 0.415 8.323 1.00 0.00 H new ATOM 0 HG LEU A 62 74.650 2.462 7.963 1.00 0.00 H new ATOM 0 HD11 LEU A 62 72.803 2.299 9.613 1.00 0.00 H new ATOM 0 HD12 LEU A 62 72.644 1.066 8.341 1.00 0.00 H new ATOM 0 HD13 LEU A 62 73.256 0.612 9.949 1.00 0.00 H new ATOM 0 HD21 LEU A 62 75.037 3.050 10.360 1.00 0.00 H new ATOM 0 HD22 LEU A 62 75.515 1.367 10.688 1.00 0.00 H new ATOM 0 HD23 LEU A 62 76.509 2.381 9.616 1.00 0.00 H new ATOM 948 N LEU A 63 77.056 -0.369 5.432 1.00 0.00 N ATOM 949 CA LEU A 63 77.988 -1.319 4.819 1.00 0.00 C ATOM 950 C LEU A 63 79.360 -1.193 5.471 1.00 0.00 C ATOM 951 O LEU A 63 79.987 -0.136 5.397 1.00 0.00 O ATOM 952 CB LEU A 63 78.081 -1.016 3.316 1.00 0.00 C ATOM 953 CG LEU A 63 79.262 -1.763 2.674 1.00 0.00 C ATOM 954 CD1 LEU A 63 79.139 -3.270 2.946 1.00 0.00 C ATOM 955 CD2 LEU A 63 79.251 -1.500 1.161 1.00 0.00 C ATOM 0 H LEU A 63 77.351 0.605 5.369 1.00 0.00 H new ATOM 0 HA LEU A 63 77.631 -2.339 4.964 1.00 0.00 H new ATOM 0 HB2 LEU A 63 77.152 -1.307 2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 63 78.199 0.057 3.165 1.00 0.00 H new ATOM 0 HG LEU A 63 80.199 -1.408 3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 63 79.979 -3.792 2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 63 79.144 -3.447 4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 63 78.206 -3.641 2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 63 80.085 -2.025 0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 63 78.313 -1.858 0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 63 79.347 -0.430 0.977 1.00 0.00 H new ATOM 967 N LEU A 64 79.826 -2.258 6.129 1.00 0.00 N ATOM 968 CA LEU A 64 81.123 -2.227 6.808 1.00 0.00 C ATOM 969 C LEU A 64 82.212 -2.923 5.997 1.00 0.00 C ATOM 970 O LEU A 64 82.036 -4.050 5.523 1.00 0.00 O ATOM 971 CB LEU A 64 81.006 -2.938 8.168 1.00 0.00 C ATOM 972 CG LEU A 64 82.349 -2.890 8.930 1.00 0.00 C ATOM 973 CD1 LEU A 64 82.763 -1.434 9.190 1.00 0.00 C ATOM 974 CD2 LEU A 64 82.204 -3.631 10.269 1.00 0.00 C ATOM 0 H LEU A 64 79.329 -3.145 6.206 1.00 0.00 H new ATOM 0 HA LEU A 64 81.399 -1.180 6.932 1.00 0.00 H new ATOM 0 HB2 LEU A 64 80.227 -2.464 8.765 1.00 0.00 H new ATOM 0 HB3 LEU A 64 80.706 -3.975 8.017 1.00 0.00 H new ATOM 0 HG LEU A 64 83.117 -3.371 8.325 1.00 0.00 H new ATOM 0 HD11 LEU A 64 83.711 -1.416 9.728 1.00 0.00 H new ATOM 0 HD12 LEU A 64 82.875 -0.912 8.240 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.997 -0.939 9.788 1.00 0.00 H new ATOM 0 HD21 LEU A 64 83.151 -3.598 10.808 1.00 0.00 H new ATOM 0 HD22 LEU A 64 81.429 -3.152 10.868 1.00 0.00 H new ATOM 0 HD23 LEU A 64 81.929 -4.669 10.082 1.00 0.00 H new ATOM 986 N LEU A 65 83.360 -2.249 5.901 1.00 0.00 N ATOM 987 CA LEU A 65 84.539 -2.790 5.222 1.00 0.00 C ATOM 988 C LEU A 65 85.622 -2.978 6.284 1.00 0.00 C ATOM 989 O LEU A 65 85.469 -2.480 7.406 1.00 0.00 O ATOM 990 CB LEU A 65 85.011 -1.859 4.103 1.00 0.00 C ATOM 991 CG LEU A 65 83.879 -1.635 3.086 1.00 0.00 C ATOM 992 CD1 LEU A 65 84.380 -0.722 1.963 1.00 0.00 C ATOM 993 CD2 LEU A 65 83.422 -2.977 2.486 1.00 0.00 C ATOM 0 H LEU A 65 83.498 -1.316 6.290 1.00 0.00 H new ATOM 0 HA LEU A 65 84.303 -3.742 4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 65 85.326 -0.904 4.523 1.00 0.00 H new ATOM 0 HB3 LEU A 65 85.879 -2.290 3.603 1.00 0.00 H new ATOM 0 HG LEU A 65 83.034 -1.171 3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 65 83.580 -0.561 1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 65 84.688 0.236 2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 65 85.230 -1.190 1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 65 82.621 -2.801 1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 65 84.262 -3.455 1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 65 83.059 -3.627 3.282 1.00 0.00 H new ATOM 1005 N LYS A 66 86.718 -3.661 5.945 1.00 0.00 N ATOM 1006 CA LYS A 66 87.792 -3.899 6.906 1.00 0.00 C ATOM 1007 C LYS A 66 89.133 -4.055 6.178 1.00 0.00 C ATOM 1008 O LYS A 66 89.159 -4.224 4.960 1.00 0.00 O ATOM 1009 CB LYS A 66 87.437 -5.169 7.682 1.00 0.00 C ATOM 1010 CG LYS A 66 88.527 -5.545 8.678 1.00 0.00 C ATOM 1011 CD LYS A 66 88.045 -6.741 9.499 1.00 0.00 C ATOM 1012 CE LYS A 66 89.176 -7.243 10.391 1.00 0.00 C ATOM 1013 NZ LYS A 66 89.318 -6.344 11.573 1.00 0.00 N1+ ATOM 0 H LYS A 66 86.883 -4.055 5.019 1.00 0.00 H new ATOM 0 HA LYS A 66 87.894 -3.057 7.591 1.00 0.00 H new ATOM 0 HB2 LYS A 66 86.496 -5.021 8.212 1.00 0.00 H new ATOM 0 HB3 LYS A 66 87.283 -5.991 6.983 1.00 0.00 H new ATOM 0 HG2 LYS A 66 89.450 -5.793 8.153 1.00 0.00 H new ATOM 0 HG3 LYS A 66 88.749 -4.702 9.332 1.00 0.00 H new ATOM 0 HD2 LYS A 66 87.188 -6.454 10.109 1.00 0.00 H new ATOM 0 HD3 LYS A 66 87.711 -7.539 8.836 1.00 0.00 H new ATOM 0 HE2 LYS A 66 88.969 -8.262 10.719 1.00 0.00 H new ATOM 0 HE3 LYS A 66 90.110 -7.272 9.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 90.089 -6.688 12.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 89.534 -5.379 11.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 88.429 -6.338 12.113 1.00 0.00 H new ATOM 1027 N ASN A 67 90.236 -4.025 6.935 1.00 0.00 N ATOM 1028 CA ASN A 67 91.576 -4.192 6.349 1.00 0.00 C ATOM 1029 C ASN A 67 91.645 -3.505 4.988 1.00 0.00 C ATOM 1030 O ASN A 67 91.985 -4.131 3.984 1.00 0.00 O ATOM 1031 CB ASN A 67 91.889 -5.680 6.166 1.00 0.00 C ATOM 1032 CG ASN A 67 92.082 -6.358 7.517 1.00 0.00 C ATOM 1033 OD1 ASN A 67 92.574 -5.740 8.461 1.00 0.00 O ATOM 1034 ND2 ASN A 67 91.718 -7.603 7.667 1.00 0.00 N ATOM 0 H ASN A 67 90.231 -3.888 7.946 1.00 0.00 H new ATOM 0 HA ASN A 67 92.304 -3.743 7.025 1.00 0.00 H new ATOM 0 HB2 ASN A 67 91.077 -6.164 5.623 1.00 0.00 H new ATOM 0 HB3 ASN A 67 92.789 -5.796 5.563 1.00 0.00 H new ATOM 0 HD21 ASN A 67 91.841 -8.065 8.568 1.00 0.00 H new ATOM 0 HD22 ASN A 67 91.310 -8.113 6.883 1.00 0.00 H new ATOM 1041 N LEU A 68 91.260 -2.240 4.950 1.00 0.00 N ATOM 1042 CA LEU A 68 91.219 -1.510 3.690 1.00 0.00 C ATOM 1043 C LEU A 68 92.582 -1.411 3.009 1.00 0.00 C ATOM 1044 O LEU A 68 93.485 -0.723 3.480 1.00 0.00 O ATOM 1045 CB LEU A 68 90.672 -0.105 3.931 1.00 0.00 C ATOM 1046 CG LEU A 68 89.237 -0.187 4.455 1.00 0.00 C ATOM 1047 CD1 LEU A 68 88.772 1.221 4.830 1.00 0.00 C ATOM 1048 CD2 LEU A 68 88.301 -0.778 3.376 1.00 0.00 C ATOM 0 H LEU A 68 90.974 -1.700 5.767 1.00 0.00 H new ATOM 0 HA LEU A 68 90.567 -2.071 3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 68 91.301 0.421 4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 68 90.698 0.468 3.004 1.00 0.00 H new ATOM 0 HG LEU A 68 89.206 -0.837 5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 68 87.750 1.179 5.206 1.00 0.00 H new ATOM 0 HD12 LEU A 68 89.426 1.626 5.602 1.00 0.00 H new ATOM 0 HD13 LEU A 68 88.809 1.863 3.950 1.00 0.00 H new ATOM 0 HD21 LEU A 68 87.284 -0.829 3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 68 88.319 -0.142 2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 68 88.639 -1.780 3.110 1.00 0.00 H new ATOM 1060 N ARG A 69 92.695 -2.105 1.875 1.00 0.00 N ATOM 1061 CA ARG A 69 93.920 -2.116 1.074 1.00 0.00 C ATOM 1062 C ARG A 69 93.759 -1.177 -0.125 1.00 0.00 C ATOM 1063 O ARG A 69 92.636 -0.897 -0.541 1.00 0.00 O ATOM 1064 CB ARG A 69 94.167 -3.553 0.567 1.00 0.00 C ATOM 1065 CG ARG A 69 94.962 -4.344 1.606 1.00 0.00 C ATOM 1066 CD ARG A 69 95.143 -5.783 1.127 1.00 0.00 C ATOM 1067 NE ARG A 69 95.986 -5.824 -0.064 1.00 0.00 N ATOM 1068 CZ ARG A 69 96.173 -6.958 -0.729 1.00 0.00 C ATOM 1069 NH1 ARG A 69 95.428 -7.996 -0.464 1.00 0.00 N1+ ATOM 1070 NH2 ARG A 69 97.100 -7.036 -1.646 1.00 0.00 N ATOM 0 H ARG A 69 91.942 -2.674 1.487 1.00 0.00 H new ATOM 0 HA ARG A 69 94.762 -1.782 1.681 1.00 0.00 H new ATOM 0 HB2 ARG A 69 93.215 -4.047 0.372 1.00 0.00 H new ATOM 0 HB3 ARG A 69 94.712 -3.526 -0.377 1.00 0.00 H new ATOM 0 HG2 ARG A 69 95.934 -3.878 1.766 1.00 0.00 H new ATOM 0 HG3 ARG A 69 94.441 -4.332 2.564 1.00 0.00 H new ATOM 0 HD2 ARG A 69 95.593 -6.382 1.919 1.00 0.00 H new ATOM 0 HD3 ARG A 69 94.171 -6.224 0.907 1.00 0.00 H new ATOM 0 HE ARG A 69 96.438 -4.970 -0.390 1.00 0.00 H new ATOM 0 HH11 ARG A 69 94.704 -7.935 0.252 1.00 0.00 H new ATOM 0 HH12 ARG A 69 95.569 -8.868 -0.973 1.00 0.00 H new ATOM 0 HH21 ARG A 69 97.682 -6.225 -1.853 1.00 0.00 H new ATOM 0 HH22 ARG A 69 97.241 -7.908 -2.155 1.00 0.00 H new ATOM 1084 N PRO A 70 94.839 -0.709 -0.705 1.00 0.00 N ATOM 1085 CA PRO A 70 94.746 0.179 -1.891 1.00 0.00 C ATOM 1086 C PRO A 70 93.863 -0.498 -2.933 1.00 0.00 C ATOM 1087 O PRO A 70 93.160 0.153 -3.706 1.00 0.00 O ATOM 1088 CB PRO A 70 96.202 0.337 -2.395 1.00 0.00 C ATOM 1089 CG PRO A 70 97.077 -0.503 -1.489 1.00 0.00 C ATOM 1090 CD PRO A 70 96.226 -0.954 -0.292 1.00 0.00 C ATOM 0 HA PRO A 70 94.307 1.153 -1.673 1.00 0.00 H new ATOM 0 HB2 PRO A 70 96.290 0.007 -3.430 1.00 0.00 H new ATOM 0 HB3 PRO A 70 96.509 1.383 -2.366 1.00 0.00 H new ATOM 0 HG2 PRO A 70 97.465 -1.367 -2.028 1.00 0.00 H new ATOM 0 HG3 PRO A 70 97.938 0.073 -1.149 1.00 0.00 H new ATOM 0 HD2 PRO A 70 96.391 -2.007 -0.064 1.00 0.00 H new ATOM 0 HD3 PRO A 70 96.477 -0.390 0.607 1.00 0.00 H new ATOM 1098 N GLN A 71 93.911 -1.823 -2.915 1.00 0.00 N ATOM 1099 CA GLN A 71 93.118 -2.631 -3.823 1.00 0.00 C ATOM 1100 C GLN A 71 91.650 -2.258 -3.689 1.00 0.00 C ATOM 1101 O GLN A 71 91.010 -1.845 -4.657 1.00 0.00 O ATOM 1102 CB GLN A 71 93.296 -4.110 -3.467 1.00 0.00 C ATOM 1103 CG GLN A 71 92.476 -4.983 -4.423 1.00 0.00 C ATOM 1104 CD GLN A 71 92.747 -6.457 -4.131 1.00 0.00 C ATOM 1105 OE1 GLN A 71 93.487 -6.777 -3.200 1.00 0.00 O ATOM 1106 NE2 GLN A 71 92.196 -7.377 -4.875 1.00 0.00 N ATOM 0 H GLN A 71 94.496 -2.361 -2.276 1.00 0.00 H new ATOM 0 HA GLN A 71 93.446 -2.454 -4.847 1.00 0.00 H new ATOM 0 HB2 GLN A 71 94.350 -4.382 -3.526 1.00 0.00 H new ATOM 0 HB3 GLN A 71 92.979 -4.286 -2.439 1.00 0.00 H new ATOM 0 HG2 GLN A 71 91.414 -4.768 -4.307 1.00 0.00 H new ATOM 0 HG3 GLN A 71 92.737 -4.753 -5.456 1.00 0.00 H new ATOM 0 HE21 GLN A 71 91.583 -7.110 -5.646 1.00 0.00 H new ATOM 0 HE22 GLN A 71 92.378 -8.363 -4.686 1.00 0.00 H new ATOM 1115 N ASP A 72 91.113 -2.454 -2.491 1.00 0.00 N ATOM 1116 CA ASP A 72 89.707 -2.191 -2.226 1.00 0.00 C ATOM 1117 C ASP A 72 89.244 -0.846 -2.772 1.00 0.00 C ATOM 1118 O ASP A 72 88.144 -0.772 -3.322 1.00 0.00 O ATOM 1119 CB ASP A 72 89.454 -2.248 -0.717 1.00 0.00 C ATOM 1120 CG ASP A 72 89.522 -3.692 -0.227 1.00 0.00 C ATOM 1121 OD1 ASP A 72 89.617 -4.578 -1.062 1.00 0.00 O ATOM 1122 OD2 ASP A 72 89.474 -3.893 0.975 1.00 0.00 O1- ATOM 0 H ASP A 72 91.635 -2.796 -1.684 1.00 0.00 H new ATOM 0 HA ASP A 72 89.131 -2.960 -2.741 1.00 0.00 H new ATOM 0 HB2 ASP A 72 90.194 -1.643 -0.193 1.00 0.00 H new ATOM 0 HB3 ASP A 72 88.476 -1.824 -0.488 1.00 0.00 H new ATOM 1127 N SER A 73 90.031 0.226 -2.630 1.00 0.00 N ATOM 1128 CA SER A 73 89.592 1.524 -3.139 1.00 0.00 C ATOM 1129 C SER A 73 88.989 1.368 -4.525 1.00 0.00 C ATOM 1130 O SER A 73 89.661 0.946 -5.465 1.00 0.00 O ATOM 1131 CB SER A 73 90.769 2.499 -3.195 1.00 0.00 C ATOM 1132 OG SER A 73 91.402 2.398 -4.463 1.00 0.00 O ATOM 0 H SER A 73 90.947 0.222 -2.181 1.00 0.00 H new ATOM 0 HA SER A 73 88.835 1.921 -2.463 1.00 0.00 H new ATOM 0 HB2 SER A 73 90.420 3.518 -3.030 1.00 0.00 H new ATOM 0 HB3 SER A 73 91.481 2.274 -2.401 1.00 0.00 H new ATOM 0 HG SER A 73 91.234 1.510 -4.843 1.00 0.00 H new ATOM 1138 N CYS A 74 87.705 1.685 -4.636 1.00 0.00 N ATOM 1139 CA CYS A 74 87.009 1.545 -5.909 1.00 0.00 C ATOM 1140 C CYS A 74 85.806 2.480 -6.001 1.00 0.00 C ATOM 1141 O CYS A 74 85.763 3.535 -5.364 1.00 0.00 O ATOM 1142 CB CYS A 74 86.558 0.090 -6.080 1.00 0.00 C ATOM 1143 SG CYS A 74 86.399 -0.288 -7.842 1.00 0.00 S ATOM 0 H CYS A 74 87.130 2.037 -3.870 1.00 0.00 H new ATOM 0 HA CYS A 74 87.698 1.819 -6.708 1.00 0.00 H new ATOM 0 HB2 CYS A 74 87.280 -0.583 -5.616 1.00 0.00 H new ATOM 0 HB3 CYS A 74 85.605 -0.068 -5.576 1.00 0.00 H new ATOM 0 HG CYS A 74 87.204 -1.260 -8.152 1.00 0.00 H new ATOM 1149 N ARG A 75 84.844 2.079 -6.833 1.00 0.00 N ATOM 1150 CA ARG A 75 83.635 2.869 -7.064 1.00 0.00 C ATOM 1151 C ARG A 75 82.470 2.392 -6.197 1.00 0.00 C ATOM 1152 O ARG A 75 82.175 1.198 -6.146 1.00 0.00 O ATOM 1153 CB ARG A 75 83.232 2.733 -8.536 1.00 0.00 C ATOM 1154 CG ARG A 75 82.223 3.834 -8.914 1.00 0.00 C ATOM 1155 CD ARG A 75 82.976 5.085 -9.374 1.00 0.00 C ATOM 1156 NE ARG A 75 82.035 6.118 -9.798 1.00 0.00 N ATOM 1157 CZ ARG A 75 81.458 6.930 -8.917 1.00 0.00 C ATOM 1158 NH1 ARG A 75 81.504 6.649 -7.643 1.00 0.00 N ATOM 1159 NH2 ARG A 75 80.847 8.007 -9.330 1.00 0.00 N1+ ATOM 0 H ARG A 75 84.880 1.207 -7.361 1.00 0.00 H new ATOM 0 HA ARG A 75 83.854 3.905 -6.805 1.00 0.00 H new ATOM 0 HB2 ARG A 75 84.115 2.805 -9.171 1.00 0.00 H new ATOM 0 HB3 ARG A 75 82.793 1.751 -8.711 1.00 0.00 H new ATOM 0 HG2 ARG A 75 81.565 3.481 -9.708 1.00 0.00 H new ATOM 0 HG3 ARG A 75 81.591 4.072 -8.058 1.00 0.00 H new ATOM 0 HD2 ARG A 75 83.598 5.462 -8.562 1.00 0.00 H new ATOM 0 HD3 ARG A 75 83.644 4.833 -10.197 1.00 0.00 H new ATOM 0 HE ARG A 75 81.816 6.219 -10.789 1.00 0.00 H new ATOM 0 HH11 ARG A 75 81.982 5.807 -7.323 1.00 0.00 H new ATOM 0 HH12 ARG A 75 81.062 7.272 -6.967 1.00 0.00 H new ATOM 0 HH21 ARG A 75 80.813 8.224 -10.326 1.00 0.00 H new ATOM 0 HH22 ARG A 75 80.403 8.632 -8.657 1.00 0.00 H new ATOM 1173 N VAL A 76 81.783 3.337 -5.544 1.00 0.00 N ATOM 1174 CA VAL A 76 80.621 3.003 -4.713 1.00 0.00 C ATOM 1175 C VAL A 76 79.353 3.561 -5.366 1.00 0.00 C ATOM 1176 O VAL A 76 79.250 4.764 -5.599 1.00 0.00 O ATOM 1177 CB VAL A 76 80.791 3.595 -3.305 1.00 0.00 C ATOM 1178 CG1 VAL A 76 79.911 2.825 -2.305 1.00 0.00 C ATOM 1179 CG2 VAL A 76 82.260 3.487 -2.881 1.00 0.00 C ATOM 0 H VAL A 76 82.009 4.331 -5.574 1.00 0.00 H new ATOM 0 HA VAL A 76 80.538 1.919 -4.628 1.00 0.00 H new ATOM 0 HB VAL A 76 80.489 4.642 -3.316 1.00 0.00 H new ATOM 0 HG11 VAL A 76 80.036 3.249 -1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 76 78.866 2.903 -2.604 1.00 0.00 H new ATOM 0 HG13 VAL A 76 80.207 1.776 -2.292 1.00 0.00 H new ATOM 0 HG21 VAL A 76 82.382 3.907 -1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 76 82.561 2.439 -2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 76 82.883 4.038 -3.585 1.00 0.00 H new ATOM 1189 N THR A 77 78.397 2.682 -5.681 1.00 0.00 N ATOM 1190 CA THR A 77 77.154 3.113 -6.329 1.00 0.00 C ATOM 1191 C THR A 77 75.934 2.447 -5.686 1.00 0.00 C ATOM 1192 O THR A 77 75.892 1.229 -5.528 1.00 0.00 O ATOM 1193 CB THR A 77 77.220 2.754 -7.817 1.00 0.00 C ATOM 1194 OG1 THR A 77 78.412 3.292 -8.374 1.00 0.00 O ATOM 1195 CG2 THR A 77 76.014 3.339 -8.555 1.00 0.00 C ATOM 0 H THR A 77 78.457 1.680 -5.501 1.00 0.00 H new ATOM 0 HA THR A 77 77.049 4.191 -6.206 1.00 0.00 H new ATOM 0 HB THR A 77 77.212 1.669 -7.923 1.00 0.00 H new ATOM 0 HG1 THR A 77 78.460 3.064 -9.326 1.00 0.00 H new ATOM 0 HG21 THR A 77 76.072 3.077 -9.612 1.00 0.00 H new ATOM 0 HG22 THR A 77 75.096 2.933 -8.130 1.00 0.00 H new ATOM 0 HG23 THR A 77 76.014 4.424 -8.449 1.00 0.00 H new ATOM 1203 N PHE A 78 74.933 3.261 -5.338 1.00 0.00 N ATOM 1204 CA PHE A 78 73.692 2.763 -4.733 1.00 0.00 C ATOM 1205 C PHE A 78 72.525 3.117 -5.647 1.00 0.00 C ATOM 1206 O PHE A 78 72.210 4.293 -5.834 1.00 0.00 O ATOM 1207 CB PHE A 78 73.497 3.407 -3.353 1.00 0.00 C ATOM 1208 CG PHE A 78 72.279 2.824 -2.660 1.00 0.00 C ATOM 1209 CD1 PHE A 78 72.253 1.466 -2.312 1.00 0.00 C ATOM 1210 CD2 PHE A 78 71.184 3.643 -2.347 1.00 0.00 C ATOM 1211 CE1 PHE A 78 71.138 0.930 -1.657 1.00 0.00 C ATOM 1212 CE2 PHE A 78 70.071 3.104 -1.688 1.00 0.00 C ATOM 1213 CZ PHE A 78 70.047 1.748 -1.344 1.00 0.00 C ATOM 0 H PHE A 78 74.958 4.273 -5.465 1.00 0.00 H new ATOM 0 HA PHE A 78 73.744 1.681 -4.610 1.00 0.00 H new ATOM 0 HB2 PHE A 78 74.384 3.244 -2.741 1.00 0.00 H new ATOM 0 HB3 PHE A 78 73.379 4.485 -3.462 1.00 0.00 H new ATOM 0 HD1 PHE A 78 73.095 0.832 -2.550 1.00 0.00 H new ATOM 0 HD2 PHE A 78 71.199 4.689 -2.614 1.00 0.00 H new ATOM 0 HE1 PHE A 78 71.120 -0.117 -1.393 1.00 0.00 H new ATOM 0 HE2 PHE A 78 69.230 3.737 -1.445 1.00 0.00 H new ATOM 0 HZ PHE A 78 69.188 1.333 -0.838 1.00 0.00 H new ATOM 1223 N LEU A 79 71.896 2.098 -6.233 1.00 0.00 N ATOM 1224 CA LEU A 79 70.776 2.318 -7.154 1.00 0.00 C ATOM 1225 C LEU A 79 69.470 1.845 -6.531 1.00 0.00 C ATOM 1226 O LEU A 79 69.032 0.716 -6.751 1.00 0.00 O ATOM 1227 CB LEU A 79 71.049 1.549 -8.456 1.00 0.00 C ATOM 1228 CG LEU A 79 70.105 2.007 -9.592 1.00 0.00 C ATOM 1229 CD1 LEU A 79 70.739 1.662 -10.945 1.00 0.00 C ATOM 1230 CD2 LEU A 79 68.741 1.299 -9.493 1.00 0.00 C ATOM 0 H LEU A 79 72.139 1.118 -6.089 1.00 0.00 H new ATOM 0 HA LEU A 79 70.684 3.383 -7.364 1.00 0.00 H new ATOM 0 HB2 LEU A 79 72.085 1.700 -8.759 1.00 0.00 H new ATOM 0 HB3 LEU A 79 70.920 0.481 -8.283 1.00 0.00 H new ATOM 0 HG LEU A 79 69.954 3.083 -9.501 1.00 0.00 H new ATOM 0 HD11 LEU A 79 70.077 1.983 -11.749 1.00 0.00 H new ATOM 0 HD12 LEU A 79 71.698 2.172 -11.038 1.00 0.00 H new ATOM 0 HD13 LEU A 79 70.894 0.585 -11.010 1.00 0.00 H new ATOM 0 HD21 LEU A 79 68.095 1.638 -10.303 1.00 0.00 H new ATOM 0 HD22 LEU A 79 68.884 0.221 -9.570 1.00 0.00 H new ATOM 0 HD23 LEU A 79 68.277 1.536 -8.536 1.00 0.00 H new ATOM 1242 N ALA A 80 68.849 2.730 -5.756 1.00 0.00 N ATOM 1243 CA ALA A 80 67.580 2.432 -5.098 1.00 0.00 C ATOM 1244 C ALA A 80 66.452 3.177 -5.803 1.00 0.00 C ATOM 1245 O ALA A 80 66.183 4.333 -5.495 1.00 0.00 O ATOM 1246 CB ALA A 80 67.656 2.865 -3.630 1.00 0.00 C ATOM 0 H ALA A 80 69.207 3.666 -5.567 1.00 0.00 H new ATOM 0 HA ALA A 80 67.384 1.361 -5.147 1.00 0.00 H new ATOM 0 HB1 ALA A 80 66.710 2.644 -3.136 1.00 0.00 H new ATOM 0 HB2 ALA A 80 68.461 2.324 -3.132 1.00 0.00 H new ATOM 0 HB3 ALA A 80 67.852 3.936 -3.576 1.00 0.00 H new ATOM 1252 N GLY A 81 65.789 2.500 -6.731 1.00 0.00 N ATOM 1253 CA GLY A 81 64.683 3.110 -7.462 1.00 0.00 C ATOM 1254 C GLY A 81 65.071 4.484 -8.004 1.00 0.00 C ATOM 1255 O GLY A 81 66.254 4.787 -8.167 1.00 0.00 O ATOM 0 H GLY A 81 65.994 1.536 -6.995 1.00 0.00 H new ATOM 0 HA2 GLY A 81 64.387 2.461 -8.286 1.00 0.00 H new ATOM 0 HA3 GLY A 81 63.818 3.206 -6.805 1.00 0.00 H new ATOM 1259 N ASP A 82 64.061 5.301 -8.301 1.00 0.00 N ATOM 1260 CA ASP A 82 64.268 6.644 -8.849 1.00 0.00 C ATOM 1261 C ASP A 82 65.363 7.420 -8.118 1.00 0.00 C ATOM 1262 O ASP A 82 65.734 8.518 -8.534 1.00 0.00 O ATOM 1263 CB ASP A 82 62.957 7.426 -8.737 1.00 0.00 C ATOM 1264 CG ASP A 82 63.026 8.682 -9.595 1.00 0.00 C ATOM 1265 OD1 ASP A 82 64.074 8.926 -10.168 1.00 0.00 O ATOM 1266 OD2 ASP A 82 62.031 9.383 -9.665 1.00 0.00 O1- ATOM 0 H ASP A 82 63.080 5.054 -8.170 1.00 0.00 H new ATOM 0 HA ASP A 82 64.583 6.530 -9.886 1.00 0.00 H new ATOM 0 HB2 ASP A 82 62.123 6.802 -9.058 1.00 0.00 H new ATOM 0 HB3 ASP A 82 62.772 7.695 -7.697 1.00 0.00 H new ATOM 1271 N MET A 83 65.867 6.863 -7.023 1.00 0.00 N ATOM 1272 CA MET A 83 66.911 7.531 -6.236 1.00 0.00 C ATOM 1273 C MET A 83 68.274 6.869 -6.454 1.00 0.00 C ATOM 1274 O MET A 83 68.456 5.694 -6.138 1.00 0.00 O ATOM 1275 CB MET A 83 66.548 7.481 -4.737 1.00 0.00 C ATOM 1276 CG MET A 83 65.046 7.222 -4.563 1.00 0.00 C ATOM 1277 SD MET A 83 64.556 7.561 -2.851 1.00 0.00 S ATOM 1278 CE MET A 83 65.453 6.217 -2.024 1.00 0.00 C ATOM 0 H MET A 83 65.576 5.957 -6.657 1.00 0.00 H new ATOM 0 HA MET A 83 66.974 8.568 -6.566 1.00 0.00 H new ATOM 0 HB2 MET A 83 67.119 6.695 -4.243 1.00 0.00 H new ATOM 0 HB3 MET A 83 66.820 8.422 -4.258 1.00 0.00 H new ATOM 0 HG2 MET A 83 64.478 7.854 -5.245 1.00 0.00 H new ATOM 0 HG3 MET A 83 64.814 6.188 -4.819 1.00 0.00 H new ATOM 0 HE1 MET A 83 65.096 6.118 -0.999 1.00 0.00 H new ATOM 0 HE2 MET A 83 65.283 5.283 -2.559 1.00 0.00 H new ATOM 0 HE3 MET A 83 66.519 6.442 -2.016 1.00 0.00 H new ATOM 1288 N VAL A 84 69.235 7.633 -6.980 1.00 0.00 N ATOM 1289 CA VAL A 84 70.585 7.116 -7.220 1.00 0.00 C ATOM 1290 C VAL A 84 71.626 8.093 -6.669 1.00 0.00 C ATOM 1291 O VAL A 84 71.528 9.302 -6.881 1.00 0.00 O ATOM 1292 CB VAL A 84 70.802 6.915 -8.720 1.00 0.00 C ATOM 1293 CG1 VAL A 84 69.663 6.065 -9.285 1.00 0.00 C ATOM 1294 CG2 VAL A 84 70.817 8.274 -9.419 1.00 0.00 C ATOM 0 H VAL A 84 69.104 8.609 -7.247 1.00 0.00 H new ATOM 0 HA VAL A 84 70.695 6.159 -6.711 1.00 0.00 H new ATOM 0 HB VAL A 84 71.754 6.410 -8.887 1.00 0.00 H new ATOM 0 HG11 VAL A 84 69.814 5.919 -10.355 1.00 0.00 H new ATOM 0 HG12 VAL A 84 69.649 5.096 -8.785 1.00 0.00 H new ATOM 0 HG13 VAL A 84 68.713 6.573 -9.118 1.00 0.00 H new ATOM 0 HG21 VAL A 84 70.972 8.131 -10.488 1.00 0.00 H new ATOM 0 HG22 VAL A 84 69.865 8.778 -9.254 1.00 0.00 H new ATOM 0 HG23 VAL A 84 71.625 8.883 -9.014 1.00 0.00 H new ATOM 1304 N THR A 85 72.622 7.558 -5.963 1.00 0.00 N ATOM 1305 CA THR A 85 73.695 8.376 -5.376 1.00 0.00 C ATOM 1306 C THR A 85 75.029 7.636 -5.506 1.00 0.00 C ATOM 1307 O THR A 85 75.042 6.413 -5.587 1.00 0.00 O ATOM 1308 CB THR A 85 73.373 8.641 -3.896 1.00 0.00 C ATOM 1309 OG1 THR A 85 73.725 7.496 -3.133 1.00 0.00 O ATOM 1310 CG2 THR A 85 71.871 8.908 -3.748 1.00 0.00 C ATOM 0 H THR A 85 72.712 6.559 -5.781 1.00 0.00 H new ATOM 0 HA THR A 85 73.769 9.328 -5.902 1.00 0.00 H new ATOM 0 HB THR A 85 73.935 9.506 -3.543 1.00 0.00 H new ATOM 0 HG1 THR A 85 72.929 7.149 -2.678 1.00 0.00 H new ATOM 0 HG21 THR A 85 71.636 9.097 -2.700 1.00 0.00 H new ATOM 0 HG22 THR A 85 71.596 9.778 -4.344 1.00 0.00 H new ATOM 0 HG23 THR A 85 71.311 8.039 -4.094 1.00 0.00 H new ATOM 1318 N SER A 86 76.150 8.361 -5.533 1.00 0.00 N ATOM 1319 CA SER A 86 77.457 7.701 -5.661 1.00 0.00 C ATOM 1320 C SER A 86 78.585 8.549 -5.075 1.00 0.00 C ATOM 1321 O SER A 86 78.656 9.755 -5.310 1.00 0.00 O ATOM 1322 CB SER A 86 77.755 7.424 -7.138 1.00 0.00 C ATOM 1323 OG SER A 86 78.906 6.596 -7.237 1.00 0.00 O ATOM 0 H SER A 86 76.184 9.378 -5.470 1.00 0.00 H new ATOM 0 HA SER A 86 77.408 6.767 -5.101 1.00 0.00 H new ATOM 0 HB2 SER A 86 76.901 6.937 -7.608 1.00 0.00 H new ATOM 0 HB3 SER A 86 77.920 8.361 -7.670 1.00 0.00 H new ATOM 0 HG SER A 86 78.701 5.707 -6.879 1.00 0.00 H new ATOM 1329 N ALA A 87 79.480 7.897 -4.321 1.00 0.00 N ATOM 1330 CA ALA A 87 80.626 8.579 -3.706 1.00 0.00 C ATOM 1331 C ALA A 87 81.904 7.777 -3.939 1.00 0.00 C ATOM 1332 O ALA A 87 81.871 6.549 -4.038 1.00 0.00 O ATOM 1333 CB ALA A 87 80.411 8.747 -2.205 1.00 0.00 C ATOM 0 H ALA A 87 79.432 6.898 -4.122 1.00 0.00 H new ATOM 0 HA ALA A 87 80.720 9.562 -4.167 1.00 0.00 H new ATOM 0 HB1 ALA A 87 81.271 9.254 -1.769 1.00 0.00 H new ATOM 0 HB2 ALA A 87 79.513 9.340 -2.030 1.00 0.00 H new ATOM 0 HB3 ALA A 87 80.295 7.767 -1.742 1.00 0.00 H new ATOM 1339 N PHE A 88 83.024 8.485 -4.057 1.00 0.00 N ATOM 1340 CA PHE A 88 84.307 7.843 -4.314 1.00 0.00 C ATOM 1341 C PHE A 88 84.897 7.223 -3.050 1.00 0.00 C ATOM 1342 O PHE A 88 84.481 7.527 -1.930 1.00 0.00 O ATOM 1343 CB PHE A 88 85.292 8.866 -4.883 1.00 0.00 C ATOM 1344 CG PHE A 88 84.777 9.369 -6.209 1.00 0.00 C ATOM 1345 CD1 PHE A 88 85.045 8.657 -7.382 1.00 0.00 C ATOM 1346 CD2 PHE A 88 84.028 10.550 -6.259 1.00 0.00 C ATOM 1347 CE1 PHE A 88 84.564 9.127 -8.610 1.00 0.00 C ATOM 1348 CE2 PHE A 88 83.547 11.020 -7.486 1.00 0.00 C ATOM 1349 CZ PHE A 88 83.815 10.309 -8.661 1.00 0.00 C ATOM 0 H PHE A 88 83.068 9.501 -3.979 1.00 0.00 H new ATOM 0 HA PHE A 88 84.136 7.043 -5.034 1.00 0.00 H new ATOM 0 HB2 PHE A 88 85.413 9.697 -4.188 1.00 0.00 H new ATOM 0 HB3 PHE A 88 86.274 8.411 -5.010 1.00 0.00 H new ATOM 0 HD1 PHE A 88 85.623 7.745 -7.341 1.00 0.00 H new ATOM 0 HD2 PHE A 88 83.821 11.098 -5.352 1.00 0.00 H new ATOM 0 HE1 PHE A 88 84.770 8.578 -9.517 1.00 0.00 H new ATOM 0 HE2 PHE A 88 82.969 11.931 -7.526 1.00 0.00 H new ATOM 0 HZ PHE A 88 83.444 10.672 -9.608 1.00 0.00 H new ATOM 1359 N LEU A 89 85.891 6.358 -3.257 1.00 0.00 N ATOM 1360 CA LEU A 89 86.585 5.684 -2.160 1.00 0.00 C ATOM 1361 C LEU A 89 88.090 5.853 -2.343 1.00 0.00 C ATOM 1362 O LEU A 89 88.601 5.732 -3.456 1.00 0.00 O ATOM 1363 CB LEU A 89 86.217 4.197 -2.155 1.00 0.00 C ATOM 1364 CG LEU A 89 86.920 3.469 -1.000 1.00 0.00 C ATOM 1365 CD1 LEU A 89 86.527 4.094 0.351 1.00 0.00 C ATOM 1366 CD2 LEU A 89 86.508 1.991 -1.028 1.00 0.00 C ATOM 0 H LEU A 89 86.236 6.106 -4.184 1.00 0.00 H new ATOM 0 HA LEU A 89 86.286 6.122 -1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 89 85.137 4.085 -2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.501 3.743 -3.104 1.00 0.00 H new ATOM 0 HG LEU A 89 88.000 3.560 -1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 89 87.035 3.565 1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 89 86.819 5.144 0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.448 4.016 0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 89 87.000 1.461 -0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 89 85.427 1.912 -0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 89 86.804 1.549 -1.979 1.00 0.00 H new ATOM 1378 N THR A 90 88.802 6.133 -1.254 1.00 0.00 N ATOM 1379 CA THR A 90 90.254 6.313 -1.326 1.00 0.00 C ATOM 1380 C THR A 90 90.941 5.640 -0.147 1.00 0.00 C ATOM 1381 O THR A 90 90.604 5.900 1.008 1.00 0.00 O ATOM 1382 CB THR A 90 90.591 7.807 -1.334 1.00 0.00 C ATOM 1383 OG1 THR A 90 89.928 8.432 -2.425 1.00 0.00 O ATOM 1384 CG2 THR A 90 92.104 7.992 -1.485 1.00 0.00 C ATOM 0 H THR A 90 88.405 6.240 -0.320 1.00 0.00 H new ATOM 0 HA THR A 90 90.613 5.852 -2.246 1.00 0.00 H new ATOM 0 HB THR A 90 90.263 8.258 -0.398 1.00 0.00 H new ATOM 0 HG1 THR A 90 90.140 9.389 -2.432 1.00 0.00 H new ATOM 0 HG21 THR A 90 92.342 9.056 -1.490 1.00 0.00 H new ATOM 0 HG22 THR A 90 92.614 7.510 -0.651 1.00 0.00 H new ATOM 0 HG23 THR A 90 92.434 7.542 -2.421 1.00 0.00 H new ATOM 1392 N VAL A 91 91.920 4.784 -0.440 1.00 0.00 N ATOM 1393 CA VAL A 91 92.660 4.092 0.620 1.00 0.00 C ATOM 1394 C VAL A 91 94.153 4.031 0.302 1.00 0.00 C ATOM 1395 O VAL A 91 94.550 3.570 -0.770 1.00 0.00 O ATOM 1396 CB VAL A 91 92.122 2.669 0.772 1.00 0.00 C ATOM 1397 CG1 VAL A 91 92.673 2.033 2.060 1.00 0.00 C ATOM 1398 CG2 VAL A 91 90.590 2.712 0.822 1.00 0.00 C ATOM 0 H VAL A 91 92.218 4.554 -1.388 1.00 0.00 H new ATOM 0 HA VAL A 91 92.525 4.648 1.548 1.00 0.00 H new ATOM 0 HB VAL A 91 92.441 2.067 -0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 91 92.285 1.019 2.160 1.00 0.00 H new ATOM 0 HG12 VAL A 91 93.762 2.002 2.013 1.00 0.00 H new ATOM 0 HG13 VAL A 91 92.364 2.627 2.920 1.00 0.00 H new ATOM 0 HG21 VAL A 91 90.201 1.700 0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 91 90.270 3.316 1.671 1.00 0.00 H new ATOM 0 HG23 VAL A 91 90.208 3.151 -0.100 1.00 0.00 H new ATOM 1408 N ARG A 92 94.978 4.512 1.235 1.00 0.00 N ATOM 1409 CA ARG A 92 96.428 4.522 1.039 1.00 0.00 C ATOM 1410 C ARG A 92 97.035 3.144 1.289 1.00 0.00 C ATOM 1411 O ARG A 92 96.406 2.274 1.895 1.00 0.00 O ATOM 1412 CB ARG A 92 97.077 5.536 1.986 1.00 0.00 C ATOM 1413 CG ARG A 92 96.690 6.954 1.561 1.00 0.00 C ATOM 1414 CD ARG A 92 97.312 7.968 2.525 1.00 0.00 C ATOM 1415 NE ARG A 92 96.913 9.323 2.156 1.00 0.00 N ATOM 1416 CZ ARG A 92 97.104 10.348 2.982 1.00 0.00 C ATOM 1417 NH1 ARG A 92 97.239 10.139 4.264 1.00 0.00 N ATOM 1418 NH2 ARG A 92 97.160 11.563 2.510 1.00 0.00 N1+ ATOM 0 H ARG A 92 94.669 4.897 2.128 1.00 0.00 H new ATOM 0 HA ARG A 92 96.620 4.802 0.003 1.00 0.00 H new ATOM 0 HB2 ARG A 92 96.754 5.351 3.010 1.00 0.00 H new ATOM 0 HB3 ARG A 92 98.161 5.423 1.969 1.00 0.00 H new ATOM 0 HG2 ARG A 92 97.033 7.146 0.544 1.00 0.00 H new ATOM 0 HG3 ARG A 92 95.605 7.060 1.557 1.00 0.00 H new ATOM 0 HD2 ARG A 92 96.995 7.753 3.545 1.00 0.00 H new ATOM 0 HD3 ARG A 92 98.398 7.882 2.504 1.00 0.00 H new ATOM 0 HE ARG A 92 96.479 9.487 1.247 1.00 0.00 H new ATOM 0 HH11 ARG A 92 97.198 9.189 4.633 1.00 0.00 H new ATOM 0 HH12 ARG A 92 97.385 10.926 4.896 1.00 0.00 H new ATOM 0 HH21 ARG A 92 97.057 11.726 1.508 1.00 0.00 H new ATOM 0 HH22 ARG A 92 97.306 12.350 3.143 1.00 0.00 H new ATOM 1432 N GLY A 93 98.274 2.962 0.828 1.00 0.00 N ATOM 1433 CA GLY A 93 98.991 1.699 1.007 1.00 0.00 C ATOM 1434 C GLY A 93 100.025 1.837 2.121 1.00 0.00 C ATOM 1435 O GLY A 93 99.778 2.504 3.125 1.00 0.00 O ATOM 0 H GLY A 93 98.803 3.676 0.327 1.00 0.00 H new ATOM 0 HA2 GLY A 93 98.287 0.903 1.250 1.00 0.00 H new ATOM 0 HA3 GLY A 93 99.483 1.416 0.076 1.00 0.00 H new ATOM 1439 N GLY A 94 101.185 1.210 1.944 1.00 0.00 N ATOM 1440 CA GLY A 94 102.237 1.281 2.957 1.00 0.00 C ATOM 1441 C GLY A 94 103.613 1.044 2.344 1.00 0.00 C ATOM 1442 O GLY A 94 103.748 0.899 1.129 1.00 0.00 O ATOM 0 H GLY A 94 101.420 0.654 1.121 1.00 0.00 H new ATOM 0 HA2 GLY A 94 102.215 2.258 3.440 1.00 0.00 H new ATOM 0 HA3 GLY A 94 102.049 0.538 3.732 1.00 0.00 H new ATOM 1446 N LEU A 95 104.635 0.993 3.201 1.00 0.00 N ATOM 1447 CA LEU A 95 106.013 0.757 2.754 1.00 0.00 C ATOM 1448 C LEU A 95 106.491 -0.605 3.254 1.00 0.00 C ATOM 1449 O LEU A 95 106.441 -0.885 4.452 1.00 0.00 O ATOM 1450 CB LEU A 95 106.944 1.855 3.302 1.00 0.00 C ATOM 1451 CG LEU A 95 106.877 3.111 2.419 1.00 0.00 C ATOM 1452 CD1 LEU A 95 105.429 3.620 2.326 1.00 0.00 C ATOM 1453 CD2 LEU A 95 107.772 4.199 3.030 1.00 0.00 C ATOM 0 H LEU A 95 104.536 1.112 4.209 1.00 0.00 H new ATOM 0 HA LEU A 95 106.037 0.777 1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 95 106.657 2.106 4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 95 107.969 1.485 3.340 1.00 0.00 H new ATOM 0 HG LEU A 95 107.224 2.866 1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 95 105.396 4.510 1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 95 104.798 2.845 1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 95 105.065 3.866 3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 95 107.731 5.095 2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 95 107.422 4.437 4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 95 108.800 3.839 3.080 1.00 0.00 H new ATOM 1465 N GLU A 96 106.963 -1.447 2.337 1.00 0.00 N ATOM 1466 CA GLU A 96 107.454 -2.775 2.709 1.00 0.00 C ATOM 1467 C GLU A 96 108.976 -2.761 2.849 1.00 0.00 C ATOM 1468 O GLU A 96 109.697 -2.499 1.886 1.00 0.00 O ATOM 1469 CB GLU A 96 107.030 -3.806 1.657 1.00 0.00 C ATOM 1470 CG GLU A 96 107.173 -3.209 0.257 1.00 0.00 C ATOM 1471 CD GLU A 96 106.895 -4.285 -0.789 1.00 0.00 C ATOM 1472 OE1 GLU A 96 107.205 -5.435 -0.523 1.00 0.00 O1- ATOM 1473 OE2 GLU A 96 106.380 -3.943 -1.841 1.00 0.00 O ATOM 0 H GLU A 96 107.016 -1.238 1.340 1.00 0.00 H new ATOM 0 HA GLU A 96 107.020 -3.051 3.670 1.00 0.00 H new ATOM 0 HB2 GLU A 96 107.645 -4.702 1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 96 105.997 -4.110 1.829 1.00 0.00 H new ATOM 0 HG2 GLU A 96 106.479 -2.378 0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 96 108.177 -2.808 0.123 1.00 0.00 H new ATOM 1480 N HIS A 97 109.455 -3.046 4.060 1.00 0.00 N ATOM 1481 CA HIS A 97 110.894 -3.070 4.334 1.00 0.00 C ATOM 1482 C HIS A 97 111.361 -4.504 4.548 1.00 0.00 C ATOM 1483 O HIS A 97 112.550 -4.763 4.737 1.00 0.00 O ATOM 1484 CB HIS A 97 111.194 -2.248 5.588 1.00 0.00 C ATOM 1485 CG HIS A 97 110.791 -0.819 5.354 1.00 0.00 C ATOM 1486 ND1 HIS A 97 111.604 0.081 4.682 1.00 0.00 N ATOM 1487 CD2 HIS A 97 109.656 -0.124 5.686 1.00 0.00 C ATOM 1488 CE1 HIS A 97 110.951 1.257 4.633 1.00 0.00 C ATOM 1489 NE2 HIS A 97 109.758 1.187 5.231 1.00 0.00 N ATOM 0 H HIS A 97 108.870 -3.263 4.866 1.00 0.00 H new ATOM 0 HA HIS A 97 111.422 -2.643 3.482 1.00 0.00 H new ATOM 0 HB2 HIS A 97 110.653 -2.655 6.442 1.00 0.00 H new ATOM 0 HB3 HIS A 97 112.256 -2.304 5.828 1.00 0.00 H new ATOM 0 HD2 HIS A 97 108.811 -0.533 6.220 1.00 0.00 H new ATOM 0 HE1 HIS A 97 111.344 2.149 4.167 1.00 0.00 H new ATOM 0 HE2 HIS A 97 109.070 1.934 5.332 1.00 0.00 H new ATOM 1497 N HIS A 98 110.408 -5.430 4.533 1.00 0.00 N ATOM 1498 CA HIS A 98 110.708 -6.849 4.741 1.00 0.00 C ATOM 1499 C HIS A 98 110.950 -7.539 3.394 1.00 0.00 C ATOM 1500 O HIS A 98 111.013 -8.767 3.320 1.00 0.00 O ATOM 1501 CB HIS A 98 109.539 -7.533 5.510 1.00 0.00 C ATOM 1502 CG HIS A 98 108.519 -6.499 5.918 1.00 0.00 C ATOM 1503 ND1 HIS A 98 107.324 -6.334 5.237 1.00 0.00 N ATOM 1504 CD2 HIS A 98 108.517 -5.551 6.913 1.00 0.00 C ATOM 1505 CE1 HIS A 98 106.659 -5.321 5.822 1.00 0.00 C ATOM 1506 NE2 HIS A 98 107.342 -4.808 6.849 1.00 0.00 N ATOM 0 H HIS A 98 109.420 -5.227 4.379 1.00 0.00 H new ATOM 0 HA HIS A 98 111.614 -6.939 5.340 1.00 0.00 H new ATOM 0 HB2 HIS A 98 109.071 -8.289 4.880 1.00 0.00 H new ATOM 0 HB3 HIS A 98 109.923 -8.046 6.392 1.00 0.00 H new ATOM 0 HD2 HIS A 98 109.307 -5.405 7.635 1.00 0.00 H new ATOM 0 HE1 HIS A 98 105.691 -4.966 5.500 1.00 0.00 H new ATOM 0 HE2 HIS A 98 107.062 -4.037 7.456 1.00 0.00 H new ATOM 1514 N HIS A 99 111.090 -6.742 2.333 1.00 0.00 N ATOM 1515 CA HIS A 99 111.332 -7.293 0.998 1.00 0.00 C ATOM 1516 C HIS A 99 112.810 -7.608 0.812 1.00 0.00 C ATOM 1517 O HIS A 99 113.245 -7.957 -0.284 1.00 0.00 O ATOM 1518 CB HIS A 99 110.896 -6.304 -0.088 1.00 0.00 C ATOM 1519 CG HIS A 99 110.865 -7.012 -1.418 1.00 0.00 C ATOM 1520 ND1 HIS A 99 109.887 -7.942 -1.734 1.00 0.00 N ATOM 1521 CD2 HIS A 99 111.693 -6.953 -2.512 1.00 0.00 C ATOM 1522 CE1 HIS A 99 110.150 -8.403 -2.970 1.00 0.00 C ATOM 1523 NE2 HIS A 99 111.239 -7.834 -3.491 1.00 0.00 N ATOM 0 H HIS A 99 111.041 -5.724 2.370 1.00 0.00 H new ATOM 0 HA HIS A 99 110.747 -8.208 0.907 1.00 0.00 H new ATOM 0 HB2 HIS A 99 109.911 -5.900 0.145 1.00 0.00 H new ATOM 0 HB3 HIS A 99 111.586 -5.461 -0.127 1.00 0.00 H new ATOM 0 HD2 HIS A 99 112.564 -6.320 -2.600 1.00 0.00 H new ATOM 0 HE1 HIS A 99 109.552 -9.144 -3.479 1.00 0.00 H new ATOM 0 HE2 HIS A 99 111.650 -8.007 -4.408 1.00 0.00 H new ATOM 1531 N HIS A 100 113.583 -7.484 1.889 1.00 0.00 N ATOM 1532 CA HIS A 100 115.018 -7.761 1.828 1.00 0.00 C ATOM 1533 C HIS A 100 115.314 -9.194 2.262 1.00 0.00 C ATOM 1534 O HIS A 100 115.948 -9.951 1.529 1.00 0.00 O ATOM 1535 CB HIS A 100 115.775 -6.785 2.729 1.00 0.00 C ATOM 1536 CG HIS A 100 115.757 -5.414 2.109 1.00 0.00 C ATOM 1537 ND1 HIS A 100 116.617 -5.055 1.081 1.00 0.00 N ATOM 1538 CD2 HIS A 100 114.989 -4.303 2.359 1.00 0.00 C ATOM 1539 CE1 HIS A 100 116.346 -3.778 0.754 1.00 0.00 C ATOM 1540 NE2 HIS A 100 115.362 -3.272 1.503 1.00 0.00 N ATOM 0 H HIS A 100 113.244 -7.196 2.807 1.00 0.00 H new ATOM 0 HA HIS A 100 115.347 -7.636 0.796 1.00 0.00 H new ATOM 0 HB2 HIS A 100 115.316 -6.755 3.717 1.00 0.00 H new ATOM 0 HB3 HIS A 100 116.803 -7.121 2.865 1.00 0.00 H new ATOM 0 HD2 HIS A 100 114.213 -4.240 3.107 1.00 0.00 H new ATOM 0 HE1 HIS A 100 116.861 -3.229 -0.020 1.00 0.00 H new ATOM 0 HE2 HIS A 100 114.969 -2.332 1.457 1.00 0.00 H new ATOM 1548 N HIS A 101 114.850 -9.565 3.454 1.00 0.00 N ATOM 1549 CA HIS A 101 115.075 -10.915 3.966 1.00 0.00 C ATOM 1550 C HIS A 101 113.995 -11.280 4.982 1.00 0.00 C ATOM 1551 O HIS A 101 114.149 -11.041 6.180 1.00 0.00 O ATOM 1552 CB HIS A 101 116.453 -10.999 4.631 1.00 0.00 C ATOM 1553 CG HIS A 101 116.698 -12.407 5.105 1.00 0.00 C ATOM 1554 ND1 HIS A 101 117.402 -13.331 4.348 1.00 0.00 N ATOM 1555 CD2 HIS A 101 116.337 -13.064 6.256 1.00 0.00 C ATOM 1556 CE1 HIS A 101 117.441 -14.481 5.045 1.00 0.00 C ATOM 1557 NE2 HIS A 101 116.806 -14.373 6.216 1.00 0.00 N ATOM 0 H HIS A 101 114.321 -8.956 4.078 1.00 0.00 H new ATOM 0 HA HIS A 101 115.033 -11.616 3.133 1.00 0.00 H new ATOM 0 HB2 HIS A 101 117.228 -10.702 3.924 1.00 0.00 H new ATOM 0 HB3 HIS A 101 116.506 -10.307 5.471 1.00 0.00 H new ATOM 0 HD2 HIS A 101 115.774 -12.630 7.069 1.00 0.00 H new ATOM 0 HE1 HIS A 101 117.926 -15.382 4.700 1.00 0.00 H new ATOM 0 HE2 HIS A 101 116.690 -15.095 6.927 1.00 0.00 H new ATOM 1565 N HIS A 102 112.900 -11.859 4.493 1.00 0.00 N ATOM 1566 CA HIS A 102 111.793 -12.254 5.362 1.00 0.00 C ATOM 1567 C HIS A 102 111.498 -11.171 6.396 1.00 0.00 C ATOM 1568 O HIS A 102 111.036 -11.518 7.471 1.00 0.00 O ATOM 1569 CB HIS A 102 112.126 -13.566 6.074 1.00 0.00 C ATOM 1570 CG HIS A 102 112.323 -14.657 5.057 1.00 0.00 C ATOM 1571 ND1 HIS A 102 111.269 -15.187 4.328 1.00 0.00 N ATOM 1572 CD2 HIS A 102 113.443 -15.331 4.641 1.00 0.00 C ATOM 1573 CE1 HIS A 102 111.773 -16.139 3.521 1.00 0.00 C ATOM 1574 NE2 HIS A 102 113.094 -16.266 3.671 1.00 0.00 N ATOM 1575 OXT HIS A 102 111.737 -10.014 6.098 1.00 0.00 O ATOM 0 H HIS A 102 112.756 -12.064 3.504 1.00 0.00 H new ATOM 0 HA HIS A 102 110.908 -12.392 4.741 1.00 0.00 H new ATOM 0 HB2 HIS A 102 113.028 -13.447 6.674 1.00 0.00 H new ATOM 0 HB3 HIS A 102 111.321 -13.834 6.759 1.00 0.00 H new ATOM 0 HD2 HIS A 102 114.444 -15.162 5.010 1.00 0.00 H new ATOM 0 HE1 HIS A 102 111.181 -16.728 2.836 1.00 0.00 H new ATOM 0 HE2 HIS A 102 113.714 -16.910 3.180 1.00 0.00 H new TER 1583 HIS A 102