USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 819 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 23 TYR OH : rot 84:sc= 1.05 USER MOD Set 1.2: A 65 SER OG : rot -141:sc= 1.01 USER MOD Single : A 3 GLN : amide:sc= -0.93 X(o=-0.93,f=-0.8) USER MOD Single : A 7 GLN :FLIP amide:sc= -0.0413 F(o=-0.72,f=-0.041) USER MOD Single : A 13 HIS : no HD1:sc= -1.58 X(o=-1.6,f=-1.7!) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.127 F(o=-2.3,f=-0.13) USER MOD Single : A 17 LYS NZ :NH3+ -175:sc= 1.23 (180deg=1.2) USER MOD Single : A 19 LYS NZ :NH3+ -148:sc= 1.09 (180deg=0.269) USER MOD Single : A 21 SER OG : rot -110:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 28 LYS NZ :NH3+ 156:sc= 1.13 (180deg=0.717) USER MOD Single : A 29 MET CE :methyl -135:sc= -1.19 (180deg=-3.49) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.164 K(o=-0.16,f=-0.81) USER MOD Single : A 41 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0455) USER MOD Single : A 45 ASN : amide:sc=-0.000492 X(o=-0.00049,f=-0.00093) USER MOD Single : A 50 SER OG : rot -103:sc= 0.824 USER MOD Single : A 51 LYS NZ :NH3+ -162:sc= -0.064 (180deg=-0.368) USER MOD Single : A 59 ASN :FLIP amide:sc= -1.92 F(o=-2.8!,f=-1.9) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 176:sc= 0.761 (180deg=0.648) USER MOD Single : A 74 GLN : amide:sc= -1.18 K(o=-1.2,f=-5.3!) USER MOD Single : A 75 LYS NZ :NH3+ -172:sc= 1.19 (180deg=1.03) USER MOD Single : A 76 GLN : amide:sc= -0.0815 X(o=-0.081,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 85:sc= 0.0435 USER MOD Single : A 90 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.106) USER MOD Single : A 95 LYS NZ :NH3+ 174:sc= 0.99 (180deg=0.959) USER MOD Single : A 96 TYR OH : rot 150:sc= 0.602 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc=-0.00089 K(o=-0.00089,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 2 -9.693 -7.683 15.660 1.00 61.33 N ATOM 21 CA ASP A 2 -10.330 -8.684 14.795 1.00 61.22 C ATOM 22 C ASP A 2 -9.304 -9.419 13.908 1.00 75.24 C ATOM 23 O ASP A 2 -8.392 -8.803 13.353 1.00 61.13 O ATOM 24 CB ASP A 2 -11.399 -8.011 13.928 1.00 64.15 C ATOM 25 CG ASP A 2 -12.272 -9.021 13.209 1.00 51.02 C ATOM 26 OD1 ASP A 2 -11.910 -9.443 12.092 1.00 63.43 O ATOM 27 OD2 ASP A 2 -13.318 -9.410 13.768 1.00 15.24 O ATOM 0 HA ASP A 2 -10.796 -9.433 15.436 1.00 61.22 H new ATOM 0 HB2 ASP A 2 -12.024 -7.374 14.554 1.00 64.15 H new ATOM 0 HB3 ASP A 2 -10.916 -7.364 13.196 1.00 64.15 H new ATOM 32 N GLN A 3 -9.481 -10.736 13.763 1.00 32.22 N ATOM 33 CA GLN A 3 -8.538 -11.581 13.012 1.00 61.43 C ATOM 34 C GLN A 3 -8.375 -11.139 11.548 1.00 24.11 C ATOM 35 O GLN A 3 -7.319 -11.352 10.951 1.00 41.53 O ATOM 36 CB GLN A 3 -8.964 -13.056 13.074 1.00 14.14 C ATOM 37 CG GLN A 3 -8.654 -13.747 14.402 1.00 54.23 C ATOM 38 CD GLN A 3 -9.279 -13.052 15.597 1.00 72.02 C ATOM 39 OE1 GLN A 3 -10.412 -13.336 15.973 1.00 55.13 O ATOM 40 NE2 GLN A 3 -8.542 -12.138 16.203 1.00 24.43 N ATOM 0 H GLN A 3 -10.272 -11.245 14.157 1.00 32.22 H new ATOM 0 HA GLN A 3 -7.567 -11.463 13.492 1.00 61.43 H new ATOM 0 HB2 GLN A 3 -10.036 -13.120 12.886 1.00 14.14 H new ATOM 0 HB3 GLN A 3 -8.467 -13.599 12.271 1.00 14.14 H new ATOM 0 HG2 GLN A 3 -9.011 -14.776 14.361 1.00 54.23 H new ATOM 0 HG3 GLN A 3 -7.573 -13.789 14.539 1.00 54.23 H new ATOM 0 HE21 GLN A 3 -7.604 -11.930 15.860 1.00 24.43 H new ATOM 0 HE22 GLN A 3 -8.911 -11.641 17.013 1.00 24.43 H new ATOM 49 N PHE A 4 -9.410 -10.534 10.964 1.00 52.45 N ATOM 50 CA PHE A 4 -9.298 -9.979 9.609 1.00 45.24 C ATOM 51 C PHE A 4 -8.184 -8.926 9.560 1.00 21.54 C ATOM 52 O PHE A 4 -7.311 -8.962 8.690 1.00 51.11 O ATOM 53 CB PHE A 4 -10.631 -9.357 9.161 1.00 4.41 C ATOM 54 CG PHE A 4 -10.583 -8.744 7.781 1.00 65.05 C ATOM 55 CD1 PHE A 4 -10.733 -9.537 6.653 1.00 34.32 C ATOM 56 CD2 PHE A 4 -10.382 -7.379 7.611 1.00 51.51 C ATOM 57 CE1 PHE A 4 -10.683 -8.983 5.388 1.00 72.31 C ATOM 58 CE2 PHE A 4 -10.333 -6.823 6.348 1.00 31.05 C ATOM 59 CZ PHE A 4 -10.483 -7.628 5.235 1.00 21.32 C ATOM 0 H PHE A 4 -10.325 -10.415 11.399 1.00 52.45 H new ATOM 0 HA PHE A 4 -9.051 -10.792 8.926 1.00 45.24 H new ATOM 0 HB2 PHE A 4 -11.405 -10.125 9.181 1.00 4.41 H new ATOM 0 HB3 PHE A 4 -10.924 -8.591 9.879 1.00 4.41 H new ATOM 0 HD1 PHE A 4 -10.891 -10.600 6.765 1.00 34.32 H new ATOM 0 HD2 PHE A 4 -10.263 -6.746 8.478 1.00 51.51 H new ATOM 0 HE1 PHE A 4 -10.801 -9.612 4.518 1.00 72.31 H new ATOM 0 HE2 PHE A 4 -10.178 -5.761 6.230 1.00 31.05 H new ATOM 0 HZ PHE A 4 -10.444 -7.196 4.246 1.00 21.32 H new ATOM 69 N LEU A 5 -8.215 -8.006 10.522 1.00 54.35 N ATOM 70 CA LEU A 5 -7.194 -6.963 10.633 1.00 74.33 C ATOM 71 C LEU A 5 -5.836 -7.562 11.028 1.00 0.14 C ATOM 72 O LEU A 5 -4.796 -7.163 10.505 1.00 12.42 O ATOM 73 CB LEU A 5 -7.624 -5.911 11.665 1.00 20.14 C ATOM 74 CG LEU A 5 -8.991 -5.261 11.403 1.00 20.41 C ATOM 75 CD1 LEU A 5 -9.311 -4.225 12.474 1.00 60.41 C ATOM 76 CD2 LEU A 5 -9.040 -4.633 10.011 1.00 12.30 C ATOM 0 H LEU A 5 -8.939 -7.961 11.239 1.00 54.35 H new ATOM 0 HA LEU A 5 -7.087 -6.487 9.658 1.00 74.33 H new ATOM 0 HB2 LEU A 5 -7.644 -6.378 12.650 1.00 20.14 H new ATOM 0 HB3 LEU A 5 -6.867 -5.127 11.699 1.00 20.14 H new ATOM 0 HG LEU A 5 -9.749 -6.043 11.447 1.00 20.41 H new ATOM 0 HD11 LEU A 5 -10.283 -3.778 12.268 1.00 60.41 H new ATOM 0 HD12 LEU A 5 -9.333 -4.707 13.451 1.00 60.41 H new ATOM 0 HD13 LEU A 5 -8.546 -3.449 12.469 1.00 60.41 H new ATOM 0 HD21 LEU A 5 -10.018 -4.180 9.851 1.00 12.30 H new ATOM 0 HD22 LEU A 5 -8.268 -3.868 9.930 1.00 12.30 H new ATOM 0 HD23 LEU A 5 -8.869 -5.403 9.258 1.00 12.30 H new ATOM 88 N VAL A 6 -5.863 -8.525 11.951 1.00 34.45 N ATOM 89 CA VAL A 6 -4.649 -9.215 12.412 1.00 32.52 C ATOM 90 C VAL A 6 -3.859 -9.822 11.236 1.00 20.44 C ATOM 91 O VAL A 6 -2.666 -9.556 11.070 1.00 53.33 O ATOM 92 CB VAL A 6 -5.002 -10.336 13.432 1.00 24.14 C ATOM 93 CG1 VAL A 6 -3.768 -11.147 13.828 1.00 63.14 C ATOM 94 CG2 VAL A 6 -5.678 -9.745 14.670 1.00 73.20 C ATOM 0 H VAL A 6 -6.719 -8.850 12.400 1.00 34.45 H new ATOM 0 HA VAL A 6 -4.023 -8.468 12.900 1.00 32.52 H new ATOM 0 HB VAL A 6 -5.701 -11.016 12.945 1.00 24.14 H new ATOM 0 HG11 VAL A 6 -4.054 -11.920 14.541 1.00 63.14 H new ATOM 0 HG12 VAL A 6 -3.339 -11.613 12.941 1.00 63.14 H new ATOM 0 HG13 VAL A 6 -3.030 -10.487 14.285 1.00 63.14 H new ATOM 0 HG21 VAL A 6 -5.917 -10.545 15.371 1.00 73.20 H new ATOM 0 HG22 VAL A 6 -5.005 -9.033 15.147 1.00 73.20 H new ATOM 0 HG23 VAL A 6 -6.595 -9.235 14.375 1.00 73.20 H new ATOM 104 N GLN A 7 -4.538 -10.619 10.413 1.00 31.23 N ATOM 105 CA GLN A 7 -3.898 -11.293 9.277 1.00 12.52 C ATOM 106 C GLN A 7 -3.346 -10.296 8.243 1.00 51.03 C ATOM 107 O GLN A 7 -2.161 -10.337 7.906 1.00 14.03 O ATOM 108 CB GLN A 7 -4.890 -12.254 8.600 1.00 2.41 C ATOM 109 CG GLN A 7 -5.396 -13.372 9.511 1.00 33.43 C ATOM 110 CD GLN A 7 -4.288 -14.277 10.035 1.00 33.14 C ATOM 111 OE1 GLN A 7 -3.251 -14.485 9.245 1.00 30.11 O flip ATOM 112 NE2 GLN A 7 -4.371 -14.804 11.140 1.00 24.34 N flip ATOM 0 H GLN A 7 -5.534 -10.816 10.509 1.00 31.23 H new ATOM 0 HA GLN A 7 -3.053 -11.857 9.672 1.00 12.52 H new ATOM 0 HB2 GLN A 7 -5.744 -11.682 8.237 1.00 2.41 H new ATOM 0 HB3 GLN A 7 -4.411 -12.699 7.728 1.00 2.41 H new ATOM 0 HG2 GLN A 7 -5.924 -12.930 10.356 1.00 33.43 H new ATOM 0 HG3 GLN A 7 -6.120 -13.976 8.964 1.00 33.43 H new ATOM 0 HE21 GLN A 7 -5.184 -14.626 11.730 1.00 24.34 H new ATOM 0 HE22 GLN A 7 -3.627 -15.420 11.468 1.00 24.34 H new ATOM 121 N ILE A 8 -4.201 -9.399 7.745 1.00 50.33 N ATOM 122 CA ILE A 8 -3.787 -8.454 6.697 1.00 3.02 C ATOM 123 C ILE A 8 -2.643 -7.533 7.168 1.00 63.42 C ATOM 124 O ILE A 8 -1.666 -7.328 6.444 1.00 41.11 O ATOM 125 CB ILE A 8 -4.972 -7.595 6.172 1.00 44.21 C ATOM 126 CG1 ILE A 8 -5.572 -6.731 7.292 1.00 51.32 C ATOM 127 CG2 ILE A 8 -6.048 -8.489 5.550 1.00 1.25 C ATOM 128 CD1 ILE A 8 -6.677 -5.800 6.829 1.00 63.21 C ATOM 0 H ILE A 8 -5.172 -9.305 8.043 1.00 50.33 H new ATOM 0 HA ILE A 8 -3.422 -9.068 5.874 1.00 3.02 H new ATOM 0 HB ILE A 8 -4.586 -6.926 5.403 1.00 44.21 H new ATOM 0 HG12 ILE A 8 -5.965 -7.385 8.071 1.00 51.32 H new ATOM 0 HG13 ILE A 8 -4.777 -6.138 7.745 1.00 51.32 H new ATOM 0 HG21 ILE A 8 -6.870 -7.871 5.188 1.00 1.25 H new ATOM 0 HG22 ILE A 8 -5.620 -9.048 4.718 1.00 1.25 H new ATOM 0 HG23 ILE A 8 -6.421 -9.185 6.301 1.00 1.25 H new ATOM 0 HD11 ILE A 8 -7.048 -5.225 7.678 1.00 63.21 H new ATOM 0 HD12 ILE A 8 -6.286 -5.119 6.073 1.00 63.21 H new ATOM 0 HD13 ILE A 8 -7.492 -6.386 6.404 1.00 63.21 H new ATOM 140 N PHE A 9 -2.748 -6.997 8.387 1.00 53.13 N ATOM 141 CA PHE A 9 -1.705 -6.120 8.932 1.00 52.41 C ATOM 142 C PHE A 9 -0.383 -6.880 9.120 1.00 11.02 C ATOM 143 O PHE A 9 0.694 -6.335 8.870 1.00 73.20 O ATOM 144 CB PHE A 9 -2.155 -5.490 10.259 1.00 11.44 C ATOM 145 CG PHE A 9 -3.248 -4.447 10.126 1.00 1.04 C ATOM 146 CD1 PHE A 9 -3.814 -4.142 8.890 1.00 45.12 C ATOM 147 CD2 PHE A 9 -3.705 -3.766 11.246 1.00 42.22 C ATOM 148 CE1 PHE A 9 -4.807 -3.185 8.783 1.00 13.35 C ATOM 149 CE2 PHE A 9 -4.698 -2.809 11.140 1.00 30.41 C ATOM 150 CZ PHE A 9 -5.248 -2.520 9.909 1.00 22.00 C ATOM 0 H PHE A 9 -3.538 -7.153 9.013 1.00 53.13 H new ATOM 0 HA PHE A 9 -1.537 -5.320 8.211 1.00 52.41 H new ATOM 0 HB2 PHE A 9 -2.506 -6.282 10.921 1.00 11.44 H new ATOM 0 HB3 PHE A 9 -1.291 -5.032 10.740 1.00 11.44 H new ATOM 0 HD1 PHE A 9 -3.473 -4.659 8.005 1.00 45.12 H new ATOM 0 HD2 PHE A 9 -3.279 -3.987 12.214 1.00 42.22 H new ATOM 0 HE1 PHE A 9 -5.237 -2.958 7.819 1.00 13.35 H new ATOM 0 HE2 PHE A 9 -5.043 -2.288 12.021 1.00 30.41 H new ATOM 0 HZ PHE A 9 -6.024 -1.773 9.826 1.00 22.00 H new ATOM 160 N ALA A 10 -0.468 -8.141 9.550 1.00 53.34 N ATOM 161 CA ALA A 10 0.721 -8.991 9.693 1.00 63.21 C ATOM 162 C ALA A 10 1.502 -9.089 8.374 1.00 41.01 C ATOM 163 O ALA A 10 2.735 -9.046 8.363 1.00 71.13 O ATOM 164 CB ALA A 10 0.323 -10.380 10.176 1.00 2.13 C ATOM 0 H ALA A 10 -1.344 -8.597 9.805 1.00 53.34 H new ATOM 0 HA ALA A 10 1.374 -8.531 10.435 1.00 63.21 H new ATOM 0 HB1 ALA A 10 1.214 -10.999 10.277 1.00 2.13 H new ATOM 0 HB2 ALA A 10 -0.175 -10.300 11.142 1.00 2.13 H new ATOM 0 HB3 ALA A 10 -0.355 -10.836 9.454 1.00 2.13 H new ATOM 170 N VAL A 11 0.775 -9.210 7.263 1.00 60.04 N ATOM 171 CA VAL A 11 1.391 -9.256 5.933 1.00 60.44 C ATOM 172 C VAL A 11 2.027 -7.901 5.563 1.00 70.34 C ATOM 173 O VAL A 11 3.110 -7.848 4.981 1.00 32.51 O ATOM 174 CB VAL A 11 0.356 -9.653 4.845 1.00 43.33 C ATOM 175 CG1 VAL A 11 1.032 -9.824 3.486 1.00 34.44 C ATOM 176 CG2 VAL A 11 -0.393 -10.927 5.240 1.00 30.05 C ATOM 0 H VAL A 11 -0.243 -9.278 7.256 1.00 60.04 H new ATOM 0 HA VAL A 11 2.172 -10.015 5.972 1.00 60.44 H new ATOM 0 HB VAL A 11 -0.371 -8.844 4.764 1.00 43.33 H new ATOM 0 HG11 VAL A 11 0.286 -10.102 2.741 1.00 34.44 H new ATOM 0 HG12 VAL A 11 1.504 -8.886 3.194 1.00 34.44 H new ATOM 0 HG13 VAL A 11 1.788 -10.606 3.552 1.00 34.44 H new ATOM 0 HG21 VAL A 11 -1.111 -11.183 4.461 1.00 30.05 H new ATOM 0 HG22 VAL A 11 0.318 -11.744 5.361 1.00 30.05 H new ATOM 0 HG23 VAL A 11 -0.920 -10.763 6.180 1.00 30.05 H new ATOM 186 N ILE A 12 1.349 -6.807 5.917 1.00 45.22 N ATOM 187 CA ILE A 12 1.841 -5.454 5.620 1.00 42.13 C ATOM 188 C ILE A 12 3.105 -5.114 6.439 1.00 42.24 C ATOM 189 O ILE A 12 3.970 -4.366 5.982 1.00 50.24 O ATOM 190 CB ILE A 12 0.743 -4.388 5.874 1.00 43.52 C ATOM 191 CG1 ILE A 12 -0.524 -4.728 5.069 1.00 32.04 C ATOM 192 CG2 ILE A 12 1.247 -2.988 5.511 1.00 51.10 C ATOM 193 CD1 ILE A 12 -1.688 -3.793 5.325 1.00 64.04 C ATOM 0 H ILE A 12 0.456 -6.829 6.410 1.00 45.22 H new ATOM 0 HA ILE A 12 2.105 -5.439 4.563 1.00 42.13 H new ATOM 0 HB ILE A 12 0.497 -4.395 6.936 1.00 43.52 H new ATOM 0 HG12 ILE A 12 -0.283 -4.708 4.006 1.00 32.04 H new ATOM 0 HG13 ILE A 12 -0.831 -5.746 5.307 1.00 32.04 H new ATOM 0 HG21 ILE A 12 0.459 -2.258 5.698 1.00 51.10 H new ATOM 0 HG22 ILE A 12 2.118 -2.746 6.120 1.00 51.10 H new ATOM 0 HG23 ILE A 12 1.523 -2.963 4.457 1.00 51.10 H new ATOM 0 HD11 ILE A 12 -2.541 -4.100 4.720 1.00 64.04 H new ATOM 0 HD12 ILE A 12 -1.959 -3.830 6.380 1.00 64.04 H new ATOM 0 HD13 ILE A 12 -1.402 -2.775 5.059 1.00 64.04 H new ATOM 205 N HIS A 13 3.223 -5.676 7.643 1.00 1.32 N ATOM 206 CA HIS A 13 4.446 -5.520 8.449 1.00 11.33 C ATOM 207 C HIS A 13 5.662 -6.183 7.769 1.00 32.44 C ATOM 208 O HIS A 13 6.802 -6.001 8.200 1.00 63.43 O ATOM 209 CB HIS A 13 4.261 -6.105 9.862 1.00 62.43 C ATOM 210 CG HIS A 13 3.498 -5.214 10.800 1.00 63.34 C ATOM 211 ND1 HIS A 13 4.085 -4.101 11.359 1.00 1.34 N ATOM 212 CD2 HIS A 13 2.225 -5.314 11.255 1.00 5.24 C ATOM 213 CE1 HIS A 13 3.163 -3.555 12.134 1.00 24.22 C ATOM 214 NE2 HIS A 13 2.021 -4.254 12.103 1.00 24.51 N ATOM 0 H HIS A 13 2.496 -6.240 8.083 1.00 1.32 H new ATOM 0 HA HIS A 13 4.636 -4.450 8.532 1.00 11.33 H new ATOM 0 HB2 HIS A 13 3.742 -7.060 9.783 1.00 62.43 H new ATOM 0 HB3 HIS A 13 5.242 -6.310 10.290 1.00 62.43 H new ATOM 0 HD2 HIS A 13 1.509 -6.081 10.999 1.00 5.24 H new ATOM 0 HE1 HIS A 13 3.312 -2.659 12.718 1.00 24.22 H new ATOM 0 HE2 HIS A 13 1.164 -4.040 12.612 1.00 24.51 H new ATOM 222 N GLN A 14 5.412 -6.954 6.712 1.00 73.21 N ATOM 223 CA GLN A 14 6.477 -7.663 5.993 1.00 41.24 C ATOM 224 C GLN A 14 7.031 -6.845 4.808 1.00 41.54 C ATOM 225 O GLN A 14 7.997 -7.263 4.164 1.00 15.12 O ATOM 226 CB GLN A 14 5.952 -9.016 5.494 1.00 43.21 C ATOM 227 CG GLN A 14 5.495 -9.947 6.614 1.00 43.33 C ATOM 228 CD GLN A 14 4.834 -11.223 6.109 1.00 70.10 C ATOM 229 OE1 GLN A 14 4.129 -11.141 4.994 1.00 53.31 O flip ATOM 230 NE2 GLN A 14 4.933 -12.275 6.730 1.00 4.20 N flip ATOM 0 H GLN A 14 4.478 -7.106 6.331 1.00 73.21 H new ATOM 0 HA GLN A 14 7.299 -7.816 6.693 1.00 41.24 H new ATOM 0 HB2 GLN A 14 5.118 -8.844 4.814 1.00 43.21 H new ATOM 0 HB3 GLN A 14 6.735 -9.510 4.919 1.00 43.21 H new ATOM 0 HG2 GLN A 14 6.355 -10.211 7.230 1.00 43.33 H new ATOM 0 HG3 GLN A 14 4.794 -9.414 7.256 1.00 43.33 H new ATOM 0 HE21 GLN A 14 5.483 -12.311 7.588 1.00 4.20 H new ATOM 0 HE22 GLN A 14 4.465 -13.115 6.389 1.00 4.20 H new ATOM 239 N ILE A 15 6.430 -5.687 4.520 1.00 32.25 N ATOM 240 CA ILE A 15 6.885 -4.848 3.395 1.00 1.42 C ATOM 241 C ILE A 15 8.288 -4.263 3.667 1.00 55.42 C ATOM 242 O ILE A 15 8.518 -3.656 4.715 1.00 14.42 O ATOM 243 CB ILE A 15 5.911 -3.671 3.102 1.00 70.43 C ATOM 244 CG1 ILE A 15 4.454 -4.156 3.012 1.00 13.31 C ATOM 245 CG2 ILE A 15 6.308 -2.959 1.807 1.00 75.23 C ATOM 246 CD1 ILE A 15 4.201 -5.181 1.926 1.00 5.53 C ATOM 0 H ILE A 15 5.638 -5.308 5.039 1.00 32.25 H new ATOM 0 HA ILE A 15 6.915 -5.505 2.526 1.00 1.42 H new ATOM 0 HB ILE A 15 5.982 -2.968 3.932 1.00 70.43 H new ATOM 0 HG12 ILE A 15 4.166 -4.584 3.972 1.00 13.31 H new ATOM 0 HG13 ILE A 15 3.808 -3.295 2.840 1.00 13.31 H new ATOM 0 HG21 ILE A 15 5.617 -2.138 1.616 1.00 75.23 H new ATOM 0 HG22 ILE A 15 7.320 -2.566 1.903 1.00 75.23 H new ATOM 0 HG23 ILE A 15 6.270 -3.665 0.977 1.00 75.23 H new ATOM 0 HD11 ILE A 15 3.149 -5.467 1.934 1.00 5.53 H new ATOM 0 HD12 ILE A 15 4.453 -4.753 0.956 1.00 5.53 H new ATOM 0 HD13 ILE A 15 4.818 -6.061 2.106 1.00 5.53 H new ATOM 258 N PRO A 16 9.244 -4.433 2.724 1.00 53.33 N ATOM 259 CA PRO A 16 10.611 -3.907 2.878 1.00 13.52 C ATOM 260 C PRO A 16 10.723 -2.402 2.564 1.00 60.32 C ATOM 261 O PRO A 16 9.897 -1.833 1.845 1.00 72.04 O ATOM 262 CB PRO A 16 11.403 -4.732 1.858 1.00 1.14 C ATOM 263 CG PRO A 16 10.421 -5.008 0.768 1.00 52.34 C ATOM 264 CD PRO A 16 9.077 -5.151 1.444 1.00 34.23 C ATOM 0 HA PRO A 16 10.968 -3.992 3.904 1.00 13.52 H new ATOM 0 HB2 PRO A 16 12.267 -4.182 1.486 1.00 1.14 H new ATOM 0 HB3 PRO A 16 11.779 -5.655 2.299 1.00 1.14 H new ATOM 0 HG2 PRO A 16 10.407 -4.196 0.041 1.00 52.34 H new ATOM 0 HG3 PRO A 16 10.684 -5.917 0.227 1.00 52.34 H new ATOM 0 HD2 PRO A 16 8.279 -4.715 0.843 1.00 34.23 H new ATOM 0 HD3 PRO A 16 8.820 -6.198 1.604 1.00 34.23 H new ATOM 272 N LYS A 17 11.766 -1.772 3.098 1.00 60.12 N ATOM 273 CA LYS A 17 11.999 -0.336 2.906 1.00 24.02 C ATOM 274 C LYS A 17 12.343 -0.009 1.440 1.00 50.22 C ATOM 275 O LYS A 17 13.481 -0.201 1.003 1.00 21.22 O ATOM 276 CB LYS A 17 13.142 0.124 3.824 1.00 23.04 C ATOM 277 CG LYS A 17 13.290 1.640 3.945 1.00 65.23 C ATOM 278 CD LYS A 17 12.114 2.262 4.696 1.00 33.04 C ATOM 279 CE LYS A 17 12.314 3.754 4.944 1.00 64.33 C ATOM 280 NZ LYS A 17 11.183 4.342 5.710 1.00 41.11 N ATOM 0 H LYS A 17 12.471 -2.235 3.672 1.00 60.12 H new ATOM 0 HA LYS A 17 11.081 0.194 3.159 1.00 24.02 H new ATOM 0 HB2 LYS A 17 12.982 -0.293 4.818 1.00 23.04 H new ATOM 0 HB3 LYS A 17 14.079 -0.291 3.452 1.00 23.04 H new ATOM 0 HG2 LYS A 17 14.219 1.875 4.464 1.00 65.23 H new ATOM 0 HG3 LYS A 17 13.361 2.080 2.950 1.00 65.23 H new ATOM 0 HD2 LYS A 17 11.198 2.110 4.124 1.00 33.04 H new ATOM 0 HD3 LYS A 17 11.983 1.751 5.650 1.00 33.04 H new ATOM 0 HE2 LYS A 17 13.244 3.910 5.491 1.00 64.33 H new ATOM 0 HE3 LYS A 17 12.415 4.271 3.990 1.00 64.33 H new ATOM 0 HZ1 LYS A 17 11.313 5.371 5.786 1.00 41.11 H new ATOM 0 HZ2 LYS A 17 10.289 4.141 5.218 1.00 41.11 H new ATOM 0 HZ3 LYS A 17 11.155 3.926 6.663 1.00 41.11 H new ATOM 294 N GLY A 18 11.352 0.459 0.677 1.00 11.33 N ATOM 295 CA GLY A 18 11.601 0.875 -0.705 1.00 73.44 C ATOM 296 C GLY A 18 10.666 0.234 -1.734 1.00 75.13 C ATOM 297 O GLY A 18 10.722 0.576 -2.914 1.00 62.22 O ATOM 0 H GLY A 18 10.385 0.558 0.986 1.00 11.33 H new ATOM 0 HA2 GLY A 18 11.504 1.959 -0.769 1.00 73.44 H new ATOM 0 HA3 GLY A 18 12.631 0.631 -0.966 1.00 73.44 H new ATOM 301 N LYS A 19 9.812 -0.695 -1.303 1.00 54.11 N ATOM 302 CA LYS A 19 8.869 -1.362 -2.218 1.00 63.10 C ATOM 303 C LYS A 19 7.413 -1.223 -1.737 1.00 31.41 C ATOM 304 O LYS A 19 7.155 -1.011 -0.552 1.00 22.53 O ATOM 305 CB LYS A 19 9.229 -2.850 -2.369 1.00 4.02 C ATOM 306 CG LYS A 19 10.613 -3.102 -2.966 1.00 35.34 C ATOM 307 CD LYS A 19 10.759 -2.490 -4.360 1.00 73.35 C ATOM 308 CE LYS A 19 12.131 -2.780 -4.962 1.00 53.43 C ATOM 309 NZ LYS A 19 12.295 -2.172 -6.311 1.00 22.24 N ATOM 0 H LYS A 19 9.749 -1.005 -0.333 1.00 54.11 H new ATOM 0 HA LYS A 19 8.952 -0.870 -3.187 1.00 63.10 H new ATOM 0 HB2 LYS A 19 9.176 -3.326 -1.390 1.00 4.02 H new ATOM 0 HB3 LYS A 19 8.481 -3.331 -2.999 1.00 4.02 H new ATOM 0 HG2 LYS A 19 11.373 -2.685 -2.306 1.00 35.34 H new ATOM 0 HG3 LYS A 19 10.793 -4.176 -3.021 1.00 35.34 H new ATOM 0 HD2 LYS A 19 9.983 -2.886 -5.015 1.00 73.35 H new ATOM 0 HD3 LYS A 19 10.607 -1.412 -4.302 1.00 73.35 H new ATOM 0 HE2 LYS A 19 12.905 -2.398 -4.297 1.00 53.43 H new ATOM 0 HE3 LYS A 19 12.274 -3.858 -5.032 1.00 53.43 H new ATOM 0 HZ1 LYS A 19 12.916 -2.773 -6.889 1.00 22.24 H new ATOM 0 HZ2 LYS A 19 11.366 -2.091 -6.771 1.00 22.24 H new ATOM 0 HZ3 LYS A 19 12.718 -1.227 -6.217 1.00 22.24 H new ATOM 323 N VAL A 20 6.465 -1.354 -2.667 1.00 31.13 N ATOM 324 CA VAL A 20 5.033 -1.237 -2.352 1.00 60.11 C ATOM 325 C VAL A 20 4.281 -2.555 -2.624 1.00 62.44 C ATOM 326 O VAL A 20 4.853 -3.518 -3.139 1.00 32.24 O ATOM 327 CB VAL A 20 4.363 -0.095 -3.164 1.00 62.52 C ATOM 328 CG1 VAL A 20 5.000 1.254 -2.834 1.00 25.11 C ATOM 329 CG2 VAL A 20 4.431 -0.377 -4.664 1.00 24.22 C ATOM 0 H VAL A 20 6.661 -1.542 -3.650 1.00 31.13 H new ATOM 0 HA VAL A 20 4.970 -1.005 -1.289 1.00 60.11 H new ATOM 0 HB VAL A 20 3.312 -0.052 -2.878 1.00 62.52 H new ATOM 0 HG11 VAL A 20 4.514 2.038 -3.415 1.00 25.11 H new ATOM 0 HG12 VAL A 20 4.880 1.463 -1.771 1.00 25.11 H new ATOM 0 HG13 VAL A 20 6.061 1.225 -3.080 1.00 25.11 H new ATOM 0 HG21 VAL A 20 3.955 0.438 -5.209 1.00 24.22 H new ATOM 0 HG22 VAL A 20 5.473 -0.459 -4.972 1.00 24.22 H new ATOM 0 HG23 VAL A 20 3.913 -1.311 -4.882 1.00 24.22 H new ATOM 339 N SER A 21 2.995 -2.588 -2.284 1.00 45.41 N ATOM 340 CA SER A 21 2.167 -3.788 -2.484 1.00 53.04 C ATOM 341 C SER A 21 0.725 -3.414 -2.854 1.00 52.41 C ATOM 342 O SER A 21 0.363 -2.236 -2.876 1.00 1.41 O ATOM 343 CB SER A 21 2.171 -4.664 -1.223 1.00 14.42 C ATOM 344 OG SER A 21 1.625 -3.974 -0.109 1.00 3.43 O ATOM 0 H SER A 21 2.498 -1.800 -1.868 1.00 45.41 H new ATOM 0 HA SER A 21 2.599 -4.352 -3.311 1.00 53.04 H new ATOM 0 HB2 SER A 21 1.596 -5.572 -1.407 1.00 14.42 H new ATOM 0 HB3 SER A 21 3.191 -4.973 -0.997 1.00 14.42 H new ATOM 0 HG SER A 21 2.338 -3.774 0.533 1.00 3.43 H new ATOM 350 N THR A 22 -0.096 -4.420 -3.154 1.00 51.51 N ATOM 351 CA THR A 22 -1.497 -4.190 -3.540 1.00 21.14 C ATOM 352 C THR A 22 -2.468 -4.769 -2.502 1.00 11.43 C ATOM 353 O THR A 22 -2.142 -5.728 -1.798 1.00 25.12 O ATOM 354 CB THR A 22 -1.824 -4.816 -4.919 1.00 4.14 C ATOM 355 OG1 THR A 22 -1.767 -6.251 -4.842 1.00 40.42 O ATOM 356 CG2 THR A 22 -0.854 -4.325 -5.989 1.00 73.04 C ATOM 0 H THR A 22 0.180 -5.402 -3.139 1.00 51.51 H new ATOM 0 HA THR A 22 -1.622 -3.109 -3.596 1.00 21.14 H new ATOM 0 HB THR A 22 -2.832 -4.507 -5.194 1.00 4.14 H new ATOM 0 HG1 THR A 22 -1.977 -6.634 -5.719 1.00 40.42 H new ATOM 0 HG21 THR A 22 -1.107 -4.781 -6.946 1.00 73.04 H new ATOM 0 HG22 THR A 22 -0.924 -3.241 -6.073 1.00 73.04 H new ATOM 0 HG23 THR A 22 0.163 -4.603 -5.713 1.00 73.04 H new ATOM 364 N TYR A 23 -3.665 -4.183 -2.415 1.00 41.44 N ATOM 365 CA TYR A 23 -4.701 -4.666 -1.487 1.00 60.21 C ATOM 366 C TYR A 23 -5.019 -6.151 -1.722 1.00 10.30 C ATOM 367 O TYR A 23 -5.179 -6.923 -0.774 1.00 22.22 O ATOM 368 CB TYR A 23 -5.985 -3.833 -1.629 1.00 12.13 C ATOM 369 CG TYR A 23 -5.788 -2.352 -1.356 1.00 14.04 C ATOM 370 CD1 TYR A 23 -5.596 -1.885 -0.060 1.00 61.11 C ATOM 371 CD2 TYR A 23 -5.781 -1.425 -2.393 1.00 43.42 C ATOM 372 CE1 TYR A 23 -5.406 -0.540 0.193 1.00 22.24 C ATOM 373 CE2 TYR A 23 -5.589 -0.079 -2.146 1.00 41.12 C ATOM 374 CZ TYR A 23 -5.401 0.358 -0.852 1.00 75.12 C ATOM 375 OH TYR A 23 -5.200 1.697 -0.603 1.00 2.20 O ATOM 0 H TYR A 23 -3.944 -3.376 -2.972 1.00 41.44 H new ATOM 0 HA TYR A 23 -4.310 -4.555 -0.476 1.00 60.21 H new ATOM 0 HB2 TYR A 23 -6.378 -3.958 -2.638 1.00 12.13 H new ATOM 0 HB3 TYR A 23 -6.737 -4.222 -0.943 1.00 12.13 H new ATOM 0 HD1 TYR A 23 -5.595 -2.585 0.762 1.00 61.11 H new ATOM 0 HD2 TYR A 23 -5.928 -1.763 -3.408 1.00 43.42 H new ATOM 0 HE1 TYR A 23 -5.262 -0.194 1.206 1.00 22.24 H new ATOM 0 HE2 TYR A 23 -5.586 0.627 -2.963 1.00 41.12 H new ATOM 0 HH TYR A 23 -4.239 1.877 -0.538 1.00 2.20 H new ATOM 385 N GLY A 24 -5.111 -6.538 -2.995 1.00 53.14 N ATOM 386 CA GLY A 24 -5.364 -7.930 -3.348 1.00 12.44 C ATOM 387 C GLY A 24 -4.241 -8.870 -2.920 1.00 42.04 C ATOM 388 O GLY A 24 -4.499 -9.967 -2.424 1.00 4.13 O ATOM 0 H GLY A 24 -5.014 -5.909 -3.792 1.00 53.14 H new ATOM 0 HA2 GLY A 24 -6.296 -8.252 -2.884 1.00 12.44 H new ATOM 0 HA3 GLY A 24 -5.502 -8.006 -4.427 1.00 12.44 H new ATOM 392 N GLU A 25 -2.991 -8.434 -3.103 1.00 3.01 N ATOM 393 CA GLU A 25 -1.818 -9.229 -2.707 1.00 60.01 C ATOM 394 C GLU A 25 -1.840 -9.532 -1.198 1.00 52.51 C ATOM 395 O GLU A 25 -1.719 -10.687 -0.774 1.00 11.55 O ATOM 396 CB GLU A 25 -0.528 -8.472 -3.066 1.00 70.01 C ATOM 397 CG GLU A 25 0.752 -9.283 -2.885 1.00 74.53 C ATOM 398 CD GLU A 25 0.833 -10.471 -3.833 1.00 21.50 C ATOM 399 OE1 GLU A 25 0.886 -10.251 -5.062 1.00 30.11 O ATOM 400 OE2 GLU A 25 0.837 -11.627 -3.361 1.00 61.32 O ATOM 0 H GLU A 25 -2.762 -7.533 -3.524 1.00 3.01 H new ATOM 0 HA GLU A 25 -1.849 -10.175 -3.248 1.00 60.01 H new ATOM 0 HB2 GLU A 25 -0.591 -8.143 -4.103 1.00 70.01 H new ATOM 0 HB3 GLU A 25 -0.465 -7.575 -2.450 1.00 70.01 H new ATOM 0 HG2 GLU A 25 1.614 -8.635 -3.046 1.00 74.53 H new ATOM 0 HG3 GLU A 25 0.809 -9.639 -1.857 1.00 74.53 H new ATOM 407 N ILE A 26 -2.004 -8.476 -0.398 1.00 24.53 N ATOM 408 CA ILE A 26 -2.073 -8.598 1.062 1.00 73.42 C ATOM 409 C ILE A 26 -3.247 -9.491 1.495 1.00 60.51 C ATOM 410 O ILE A 26 -3.070 -10.464 2.233 1.00 13.33 O ATOM 411 CB ILE A 26 -2.231 -7.206 1.726 1.00 54.33 C ATOM 412 CG1 ILE A 26 -1.074 -6.269 1.326 1.00 52.12 C ATOM 413 CG2 ILE A 26 -2.318 -7.336 3.246 1.00 54.20 C ATOM 414 CD1 ILE A 26 0.299 -6.762 1.742 1.00 14.24 C ATOM 0 H ILE A 26 -2.092 -7.519 -0.739 1.00 24.53 H new ATOM 0 HA ILE A 26 -1.139 -9.055 1.388 1.00 73.42 H new ATOM 0 HB ILE A 26 -3.162 -6.767 1.367 1.00 54.33 H new ATOM 0 HG12 ILE A 26 -1.087 -6.135 0.244 1.00 52.12 H new ATOM 0 HG13 ILE A 26 -1.245 -5.289 1.770 1.00 52.12 H new ATOM 0 HG21 ILE A 26 -2.428 -6.347 3.690 1.00 54.20 H new ATOM 0 HG22 ILE A 26 -3.179 -7.950 3.510 1.00 54.20 H new ATOM 0 HG23 ILE A 26 -1.409 -7.804 3.624 1.00 54.20 H new ATOM 0 HD11 ILE A 26 1.055 -6.045 1.422 1.00 14.24 H new ATOM 0 HD12 ILE A 26 0.334 -6.868 2.826 1.00 14.24 H new ATOM 0 HD13 ILE A 26 0.495 -7.728 1.277 1.00 14.24 H new ATOM 426 N ALA A 27 -4.444 -9.152 1.016 1.00 62.24 N ATOM 427 CA ALA A 27 -5.662 -9.892 1.358 1.00 65.12 C ATOM 428 C ALA A 27 -5.558 -11.380 0.984 1.00 34.54 C ATOM 429 O ALA A 27 -5.954 -12.258 1.756 1.00 32.41 O ATOM 430 CB ALA A 27 -6.861 -9.260 0.663 1.00 43.53 C ATOM 0 H ALA A 27 -4.598 -8.365 0.386 1.00 62.24 H new ATOM 0 HA ALA A 27 -5.791 -9.837 2.439 1.00 65.12 H new ATOM 0 HB1 ALA A 27 -7.764 -9.814 0.920 1.00 43.53 H new ATOM 0 HB2 ALA A 27 -6.965 -8.225 0.987 1.00 43.53 H new ATOM 0 HB3 ALA A 27 -6.713 -9.289 -0.416 1.00 43.53 H new ATOM 436 N LYS A 28 -5.020 -11.651 -0.207 1.00 30.23 N ATOM 437 CA LYS A 28 -4.834 -13.025 -0.695 1.00 42.14 C ATOM 438 C LYS A 28 -4.046 -13.881 0.309 1.00 13.12 C ATOM 439 O LYS A 28 -4.527 -14.914 0.776 1.00 43.33 O ATOM 440 CB LYS A 28 -4.096 -13.002 -2.039 1.00 63.11 C ATOM 441 CG LYS A 28 -3.826 -14.383 -2.634 1.00 1.54 C ATOM 442 CD LYS A 28 -2.897 -14.301 -3.844 1.00 73.44 C ATOM 443 CE LYS A 28 -1.534 -13.723 -3.473 1.00 63.53 C ATOM 444 NZ LYS A 28 -0.649 -13.567 -4.657 1.00 64.12 N ATOM 0 H LYS A 28 -4.702 -10.933 -0.858 1.00 30.23 H new ATOM 0 HA LYS A 28 -5.821 -13.472 -0.819 1.00 42.14 H new ATOM 0 HB2 LYS A 28 -4.682 -12.421 -2.751 1.00 63.11 H new ATOM 0 HB3 LYS A 28 -3.146 -12.484 -1.909 1.00 63.11 H new ATOM 0 HG2 LYS A 28 -3.380 -15.026 -1.875 1.00 1.54 H new ATOM 0 HG3 LYS A 28 -4.769 -14.844 -2.929 1.00 1.54 H new ATOM 0 HD2 LYS A 28 -2.766 -15.296 -4.270 1.00 73.44 H new ATOM 0 HD3 LYS A 28 -3.357 -13.682 -4.614 1.00 73.44 H new ATOM 0 HE2 LYS A 28 -1.671 -12.754 -2.993 1.00 63.53 H new ATOM 0 HE3 LYS A 28 -1.051 -14.374 -2.744 1.00 63.53 H new ATOM 0 HZ1 LYS A 28 0.063 -12.834 -4.464 1.00 64.12 H new ATOM 0 HZ2 LYS A 28 -0.172 -14.470 -4.855 1.00 64.12 H new ATOM 0 HZ3 LYS A 28 -1.218 -13.288 -5.482 1.00 64.12 H new ATOM 458 N MET A 29 -2.837 -13.438 0.645 1.00 23.55 N ATOM 459 CA MET A 29 -1.973 -14.182 1.573 1.00 50.35 C ATOM 460 C MET A 29 -2.504 -14.136 3.018 1.00 2.02 C ATOM 461 O MET A 29 -2.103 -14.938 3.863 1.00 3.53 O ATOM 462 CB MET A 29 -0.539 -13.649 1.503 1.00 23.13 C ATOM 463 CG MET A 29 0.138 -13.924 0.163 1.00 12.32 C ATOM 464 SD MET A 29 1.796 -13.221 0.049 1.00 35.54 S ATOM 465 CE MET A 29 1.427 -11.470 0.142 1.00 43.24 C ATOM 0 H MET A 29 -2.430 -12.572 0.293 1.00 23.55 H new ATOM 0 HA MET A 29 -1.978 -15.227 1.264 1.00 50.35 H new ATOM 0 HB2 MET A 29 -0.548 -12.574 1.685 1.00 23.13 H new ATOM 0 HB3 MET A 29 0.050 -14.102 2.300 1.00 23.13 H new ATOM 0 HG2 MET A 29 0.195 -15.001 0.006 1.00 12.32 H new ATOM 0 HG3 MET A 29 -0.478 -13.517 -0.639 1.00 12.32 H new ATOM 0 HE1 MET A 29 2.000 -10.937 -0.617 1.00 43.24 H new ATOM 0 HE2 MET A 29 0.362 -11.313 -0.030 1.00 43.24 H new ATOM 0 HE3 MET A 29 1.694 -11.094 1.129 1.00 43.24 H new ATOM 475 N ALA A 30 -3.402 -13.195 3.299 1.00 3.15 N ATOM 476 CA ALA A 30 -4.078 -13.136 4.599 1.00 3.04 C ATOM 477 C ALA A 30 -5.209 -14.174 4.696 1.00 2.13 C ATOM 478 O ALA A 30 -5.678 -14.503 5.789 1.00 35.44 O ATOM 479 CB ALA A 30 -4.625 -11.736 4.840 1.00 71.40 C ATOM 0 H ALA A 30 -3.681 -12.462 2.647 1.00 3.15 H new ATOM 0 HA ALA A 30 -3.344 -13.373 5.369 1.00 3.04 H new ATOM 0 HB1 ALA A 30 -5.125 -11.702 5.808 1.00 71.40 H new ATOM 0 HB2 ALA A 30 -3.805 -11.018 4.830 1.00 71.40 H new ATOM 0 HB3 ALA A 30 -5.337 -11.483 4.055 1.00 71.40 H new ATOM 485 N GLY A 31 -5.645 -14.688 3.546 1.00 42.33 N ATOM 486 CA GLY A 31 -6.720 -15.676 3.512 1.00 22.40 C ATOM 487 C GLY A 31 -8.054 -15.106 3.037 1.00 62.54 C ATOM 488 O GLY A 31 -9.053 -15.824 2.959 1.00 13.53 O ATOM 0 H GLY A 31 -5.272 -14.437 2.630 1.00 42.33 H new ATOM 0 HA2 GLY A 31 -6.429 -16.496 2.855 1.00 22.40 H new ATOM 0 HA3 GLY A 31 -6.848 -16.097 4.509 1.00 22.40 H new ATOM 492 N TYR A 32 -8.071 -13.816 2.702 1.00 75.15 N ATOM 493 CA TYR A 32 -9.301 -13.131 2.280 1.00 64.32 C ATOM 494 C TYR A 32 -9.140 -12.516 0.873 1.00 41.41 C ATOM 495 O TYR A 32 -9.086 -11.297 0.726 1.00 33.44 O ATOM 496 CB TYR A 32 -9.648 -12.026 3.291 1.00 54.53 C ATOM 497 CG TYR A 32 -9.599 -12.469 4.743 1.00 51.34 C ATOM 498 CD1 TYR A 32 -10.705 -13.048 5.356 1.00 62.40 C ATOM 499 CD2 TYR A 32 -8.442 -12.307 5.500 1.00 14.25 C ATOM 500 CE1 TYR A 32 -10.659 -13.450 6.678 1.00 11.34 C ATOM 501 CE2 TYR A 32 -8.389 -12.707 6.821 1.00 33.24 C ATOM 502 CZ TYR A 32 -9.499 -13.278 7.406 1.00 1.21 C ATOM 503 OH TYR A 32 -9.448 -13.679 8.724 1.00 3.34 O ATOM 0 H TYR A 32 -7.244 -13.219 2.714 1.00 75.15 H new ATOM 0 HA TYR A 32 -10.107 -13.864 2.242 1.00 64.32 H new ATOM 0 HB2 TYR A 32 -8.957 -11.194 3.154 1.00 54.53 H new ATOM 0 HB3 TYR A 32 -10.647 -11.650 3.072 1.00 54.53 H new ATOM 0 HD1 TYR A 32 -11.615 -13.186 4.790 1.00 62.40 H new ATOM 0 HD2 TYR A 32 -7.570 -11.860 5.046 1.00 14.25 H new ATOM 0 HE1 TYR A 32 -11.527 -13.897 7.139 1.00 11.34 H new ATOM 0 HE2 TYR A 32 -7.483 -12.573 7.393 1.00 33.24 H new ATOM 0 HH TYR A 32 -8.559 -13.488 9.090 1.00 3.34 H new ATOM 513 N PRO A 33 -9.088 -13.352 -0.186 1.00 21.53 N ATOM 514 CA PRO A 33 -8.742 -12.900 -1.552 1.00 3.15 C ATOM 515 C PRO A 33 -9.653 -11.780 -2.093 1.00 61.21 C ATOM 516 O PRO A 33 -9.167 -10.778 -2.623 1.00 53.52 O ATOM 517 CB PRO A 33 -8.892 -14.174 -2.405 1.00 4.13 C ATOM 518 CG PRO A 33 -9.721 -15.101 -1.580 1.00 25.10 C ATOM 519 CD PRO A 33 -9.376 -14.795 -0.150 1.00 65.50 C ATOM 0 HA PRO A 33 -7.745 -12.461 -1.572 1.00 3.15 H new ATOM 0 HB2 PRO A 33 -9.375 -13.956 -3.357 1.00 4.13 H new ATOM 0 HB3 PRO A 33 -7.920 -14.612 -2.633 1.00 4.13 H new ATOM 0 HG2 PRO A 33 -10.784 -14.947 -1.767 1.00 25.10 H new ATOM 0 HG3 PRO A 33 -9.502 -16.141 -1.821 1.00 25.10 H new ATOM 0 HD2 PRO A 33 -10.201 -15.026 0.524 1.00 65.50 H new ATOM 0 HD3 PRO A 33 -8.516 -15.371 0.191 1.00 65.50 H new ATOM 527 N GLY A 34 -10.968 -11.952 -1.961 1.00 50.40 N ATOM 528 CA GLY A 34 -11.916 -10.982 -2.514 1.00 72.41 C ATOM 529 C GLY A 34 -12.333 -9.882 -1.540 1.00 34.21 C ATOM 530 O GLY A 34 -13.271 -9.127 -1.814 1.00 53.52 O ATOM 0 H GLY A 34 -11.398 -12.743 -1.482 1.00 50.40 H new ATOM 0 HA2 GLY A 34 -11.472 -10.520 -3.396 1.00 72.41 H new ATOM 0 HA3 GLY A 34 -12.808 -11.513 -2.847 1.00 72.41 H new ATOM 534 N TYR A 35 -11.641 -9.776 -0.408 1.00 23.43 N ATOM 535 CA TYR A 35 -11.978 -8.777 0.618 1.00 4.22 C ATOM 536 C TYR A 35 -11.017 -7.573 0.587 1.00 72.32 C ATOM 537 O TYR A 35 -10.953 -6.795 1.541 1.00 14.43 O ATOM 538 CB TYR A 35 -11.963 -9.425 2.007 1.00 44.40 C ATOM 539 CG TYR A 35 -13.040 -10.482 2.208 1.00 72.41 C ATOM 540 CD1 TYR A 35 -12.833 -11.804 1.824 1.00 5.31 C ATOM 541 CD2 TYR A 35 -14.260 -10.157 2.793 1.00 21.24 C ATOM 542 CE1 TYR A 35 -13.808 -12.767 2.014 1.00 14.23 C ATOM 543 CE2 TYR A 35 -15.239 -11.114 2.985 1.00 44.45 C ATOM 544 CZ TYR A 35 -15.007 -12.417 2.596 1.00 40.34 C ATOM 545 OH TYR A 35 -15.978 -13.376 2.793 1.00 63.41 O ATOM 0 H TYR A 35 -10.843 -10.366 -0.173 1.00 23.43 H new ATOM 0 HA TYR A 35 -12.979 -8.405 0.399 1.00 4.22 H new ATOM 0 HB2 TYR A 35 -10.986 -9.879 2.174 1.00 44.40 H new ATOM 0 HB3 TYR A 35 -12.086 -8.647 2.761 1.00 44.40 H new ATOM 0 HD1 TYR A 35 -11.894 -12.083 1.369 1.00 5.31 H new ATOM 0 HD2 TYR A 35 -14.445 -9.139 3.103 1.00 21.24 H new ATOM 0 HE1 TYR A 35 -13.630 -13.787 1.708 1.00 14.23 H new ATOM 0 HE2 TYR A 35 -16.181 -10.843 3.438 1.00 44.45 H new ATOM 0 HH TYR A 35 -16.762 -12.966 3.215 1.00 63.41 H new ATOM 555 N ALA A 36 -10.294 -7.410 -0.522 1.00 34.04 N ATOM 556 CA ALA A 36 -9.347 -6.294 -0.686 1.00 14.24 C ATOM 557 C ALA A 36 -10.017 -4.928 -0.431 1.00 40.54 C ATOM 558 O ALA A 36 -9.380 -3.989 0.058 1.00 43.11 O ATOM 559 CB ALA A 36 -8.735 -6.333 -2.083 1.00 24.51 C ATOM 0 H ALA A 36 -10.343 -8.036 -1.325 1.00 34.04 H new ATOM 0 HA ALA A 36 -8.560 -6.413 0.058 1.00 14.24 H new ATOM 0 HB1 ALA A 36 -8.036 -5.505 -2.197 1.00 24.51 H new ATOM 0 HB2 ALA A 36 -8.206 -7.276 -2.222 1.00 24.51 H new ATOM 0 HB3 ALA A 36 -9.525 -6.246 -2.829 1.00 24.51 H new ATOM 565 N ARG A 37 -11.305 -4.834 -0.755 1.00 1.50 N ATOM 566 CA ARG A 37 -12.093 -3.617 -0.516 1.00 74.03 C ATOM 567 C ARG A 37 -12.126 -3.255 0.984 1.00 41.41 C ATOM 568 O ARG A 37 -12.021 -2.081 1.362 1.00 32.42 O ATOM 569 CB ARG A 37 -13.523 -3.810 -1.062 1.00 44.01 C ATOM 570 CG ARG A 37 -14.364 -4.817 -0.276 1.00 51.01 C ATOM 571 CD ARG A 37 -15.490 -5.416 -1.115 1.00 42.35 C ATOM 572 NE ARG A 37 -14.982 -6.382 -2.090 1.00 23.32 N ATOM 573 CZ ARG A 37 -15.720 -7.008 -2.966 1.00 3.40 C ATOM 574 NH1 ARG A 37 -16.975 -6.731 -3.100 1.00 31.32 N ATOM 575 NH2 ARG A 37 -15.185 -7.900 -3.733 1.00 54.43 N ATOM 0 H ARG A 37 -11.833 -5.592 -1.188 1.00 1.50 H new ATOM 0 HA ARG A 37 -11.618 -2.788 -1.041 1.00 74.03 H new ATOM 0 HB2 ARG A 37 -14.034 -2.847 -1.060 1.00 44.01 H new ATOM 0 HB3 ARG A 37 -13.462 -4.136 -2.100 1.00 44.01 H new ATOM 0 HG2 ARG A 37 -13.720 -5.618 0.088 1.00 51.01 H new ATOM 0 HG3 ARG A 37 -14.789 -4.326 0.600 1.00 51.01 H new ATOM 0 HD2 ARG A 37 -16.212 -5.905 -0.460 1.00 42.35 H new ATOM 0 HD3 ARG A 37 -16.021 -4.618 -1.635 1.00 42.35 H new ATOM 0 HE ARG A 37 -13.981 -6.580 -2.085 1.00 23.32 H new ATOM 0 HH11 ARG A 37 -17.404 -6.013 -2.516 1.00 31.32 H new ATOM 0 HH12 ARG A 37 -17.537 -7.230 -3.790 1.00 31.32 H new ATOM 0 HH21 ARG A 37 -14.191 -8.112 -3.652 1.00 54.43 H new ATOM 0 HH22 ARG A 37 -15.757 -8.392 -4.419 1.00 54.43 H new ATOM 589 N HIS A 38 -12.247 -4.278 1.833 1.00 31.45 N ATOM 590 CA HIS A 38 -12.267 -4.090 3.286 1.00 51.14 C ATOM 591 C HIS A 38 -10.867 -3.762 3.815 1.00 75.13 C ATOM 592 O HIS A 38 -10.717 -2.985 4.758 1.00 15.33 O ATOM 593 CB HIS A 38 -12.811 -5.347 3.971 1.00 51.30 C ATOM 594 CG HIS A 38 -14.188 -5.731 3.514 1.00 14.41 C ATOM 595 ND1 HIS A 38 -14.392 -6.769 2.638 1.00 32.25 N ATOM 596 CD2 HIS A 38 -15.386 -5.193 3.845 1.00 35.32 C ATOM 597 CE1 HIS A 38 -15.699 -6.842 2.457 1.00 74.24 C ATOM 598 NE2 HIS A 38 -16.341 -5.907 3.166 1.00 25.15 N ATOM 0 H HIS A 38 -12.333 -5.250 1.537 1.00 31.45 H new ATOM 0 HA HIS A 38 -12.922 -3.249 3.514 1.00 51.14 H new ATOM 0 HB2 HIS A 38 -12.130 -6.177 3.783 1.00 51.30 H new ATOM 0 HB3 HIS A 38 -12.827 -5.186 5.049 1.00 51.30 H new ATOM 0 HD2 HIS A 38 -15.557 -4.363 4.514 1.00 35.32 H new ATOM 0 HE1 HIS A 38 -16.186 -7.564 1.819 1.00 74.24 H new ATOM 0 HE2 HIS A 38 -17.349 -5.754 3.196 1.00 25.15 H new ATOM 606 N VAL A 39 -9.844 -4.355 3.198 1.00 1.12 N ATOM 607 CA VAL A 39 -8.450 -4.042 3.537 1.00 73.31 C ATOM 608 C VAL A 39 -8.172 -2.542 3.350 1.00 52.31 C ATOM 609 O VAL A 39 -7.525 -1.906 4.187 1.00 64.54 O ATOM 610 CB VAL A 39 -7.460 -4.862 2.672 1.00 41.22 C ATOM 611 CG1 VAL A 39 -6.010 -4.543 3.040 1.00 63.54 C ATOM 612 CG2 VAL A 39 -7.739 -6.357 2.809 1.00 10.23 C ATOM 0 H VAL A 39 -9.951 -5.053 2.462 1.00 1.12 H new ATOM 0 HA VAL A 39 -8.301 -4.310 4.583 1.00 73.31 H new ATOM 0 HB VAL A 39 -7.608 -4.579 1.630 1.00 41.22 H new ATOM 0 HG11 VAL A 39 -5.338 -5.133 2.417 1.00 63.54 H new ATOM 0 HG12 VAL A 39 -5.818 -3.482 2.877 1.00 63.54 H new ATOM 0 HG13 VAL A 39 -5.839 -4.786 4.089 1.00 63.54 H new ATOM 0 HG21 VAL A 39 -7.034 -6.917 2.194 1.00 10.23 H new ATOM 0 HG22 VAL A 39 -7.627 -6.654 3.852 1.00 10.23 H new ATOM 0 HG23 VAL A 39 -8.756 -6.569 2.479 1.00 10.23 H new ATOM 622 N GLY A 40 -8.674 -1.982 2.247 1.00 4.23 N ATOM 623 CA GLY A 40 -8.581 -0.542 2.025 1.00 30.33 C ATOM 624 C GLY A 40 -9.270 0.265 3.122 1.00 44.42 C ATOM 625 O GLY A 40 -8.728 1.260 3.612 1.00 55.31 O ATOM 0 H GLY A 40 -9.143 -2.499 1.503 1.00 4.23 H new ATOM 0 HA2 GLY A 40 -7.531 -0.253 1.971 1.00 30.33 H new ATOM 0 HA3 GLY A 40 -9.029 -0.297 1.062 1.00 30.33 H new ATOM 629 N LYS A 41 -10.469 -0.172 3.515 1.00 63.10 N ATOM 630 CA LYS A 41 -11.204 0.460 4.619 1.00 14.12 C ATOM 631 C LYS A 41 -10.430 0.354 5.946 1.00 33.34 C ATOM 632 O LYS A 41 -10.463 1.269 6.773 1.00 43.04 O ATOM 633 CB LYS A 41 -12.597 -0.176 4.773 1.00 31.53 C ATOM 634 CG LYS A 41 -13.526 0.063 3.583 1.00 64.52 C ATOM 635 CD LYS A 41 -13.807 1.550 3.373 1.00 63.43 C ATOM 636 CE LYS A 41 -14.507 2.182 4.574 1.00 32.21 C ATOM 637 NZ LYS A 41 -15.870 1.625 4.786 1.00 52.04 N ATOM 0 H LYS A 41 -10.953 -0.961 3.087 1.00 63.10 H new ATOM 0 HA LYS A 41 -11.317 1.516 4.375 1.00 14.12 H new ATOM 0 HB2 LYS A 41 -12.480 -1.250 4.919 1.00 31.53 H new ATOM 0 HB3 LYS A 41 -13.068 0.219 5.673 1.00 31.53 H new ATOM 0 HG2 LYS A 41 -13.076 -0.353 2.681 1.00 64.52 H new ATOM 0 HG3 LYS A 41 -14.466 -0.466 3.743 1.00 64.52 H new ATOM 0 HD2 LYS A 41 -12.869 2.072 3.186 1.00 63.43 H new ATOM 0 HD3 LYS A 41 -14.426 1.679 2.485 1.00 63.43 H new ATOM 0 HE2 LYS A 41 -13.907 2.020 5.469 1.00 32.21 H new ATOM 0 HE3 LYS A 41 -14.575 3.260 4.427 1.00 32.21 H new ATOM 0 HZ1 LYS A 41 -16.346 2.152 5.546 1.00 52.04 H new ATOM 0 HZ2 LYS A 41 -16.420 1.711 3.908 1.00 52.04 H new ATOM 0 HZ3 LYS A 41 -15.798 0.622 5.053 1.00 52.04 H new ATOM 651 N ALA A 42 -9.736 -0.768 6.139 1.00 72.40 N ATOM 652 CA ALA A 42 -8.923 -0.987 7.340 1.00 54.23 C ATOM 653 C ALA A 42 -7.771 0.027 7.429 1.00 43.24 C ATOM 654 O ALA A 42 -7.580 0.681 8.454 1.00 4.12 O ATOM 655 CB ALA A 42 -8.379 -2.412 7.351 1.00 23.24 C ATOM 0 H ALA A 42 -9.720 -1.544 5.477 1.00 72.40 H new ATOM 0 HA ALA A 42 -9.561 -0.842 8.212 1.00 54.23 H new ATOM 0 HB1 ALA A 42 -7.777 -2.565 8.247 1.00 23.24 H new ATOM 0 HB2 ALA A 42 -9.209 -3.118 7.347 1.00 23.24 H new ATOM 0 HB3 ALA A 42 -7.762 -2.573 6.467 1.00 23.24 H new ATOM 661 N LEU A 43 -7.014 0.156 6.341 1.00 21.34 N ATOM 662 CA LEU A 43 -5.907 1.118 6.275 1.00 43.23 C ATOM 663 C LEU A 43 -6.417 2.567 6.352 1.00 13.15 C ATOM 664 O LEU A 43 -5.723 3.456 6.843 1.00 62.01 O ATOM 665 CB LEU A 43 -5.095 0.896 4.993 1.00 34.15 C ATOM 666 CG LEU A 43 -4.449 -0.494 4.874 1.00 23.31 C ATOM 667 CD1 LEU A 43 -3.697 -0.631 3.557 1.00 52.24 C ATOM 668 CD2 LEU A 43 -3.521 -0.762 6.057 1.00 62.23 C ATOM 0 H LEU A 43 -7.144 -0.392 5.491 1.00 21.34 H new ATOM 0 HA LEU A 43 -5.260 0.953 7.137 1.00 43.23 H new ATOM 0 HB2 LEU A 43 -5.748 1.053 4.134 1.00 34.15 H new ATOM 0 HB3 LEU A 43 -4.311 1.652 4.940 1.00 34.15 H new ATOM 0 HG LEU A 43 -5.244 -1.239 4.889 1.00 23.31 H new ATOM 0 HD11 LEU A 43 -3.249 -1.623 3.496 1.00 52.24 H new ATOM 0 HD12 LEU A 43 -4.390 -0.494 2.727 1.00 52.24 H new ATOM 0 HD13 LEU A 43 -2.914 0.125 3.505 1.00 52.24 H new ATOM 0 HD21 LEU A 43 -3.075 -1.751 5.953 1.00 62.23 H new ATOM 0 HD22 LEU A 43 -2.733 -0.009 6.079 1.00 62.23 H new ATOM 0 HD23 LEU A 43 -4.092 -0.718 6.985 1.00 62.23 H new ATOM 680 N GLY A 44 -7.642 2.794 5.879 1.00 60.24 N ATOM 681 CA GLY A 44 -8.264 4.111 5.999 1.00 11.34 C ATOM 682 C GLY A 44 -8.544 4.510 7.447 1.00 33.21 C ATOM 683 O GLY A 44 -8.736 5.690 7.750 1.00 33.11 O ATOM 0 H GLY A 44 -8.217 2.092 5.414 1.00 60.24 H new ATOM 0 HA2 GLY A 44 -7.614 4.857 5.542 1.00 11.34 H new ATOM 0 HA3 GLY A 44 -9.199 4.117 5.439 1.00 11.34 H new ATOM 687 N ASN A 45 -8.572 3.521 8.341 1.00 31.10 N ATOM 688 CA ASN A 45 -8.788 3.761 9.775 1.00 31.24 C ATOM 689 C ASN A 45 -7.478 4.167 10.477 1.00 14.44 C ATOM 690 O ASN A 45 -7.495 4.786 11.545 1.00 21.02 O ATOM 691 CB ASN A 45 -9.372 2.495 10.422 1.00 62.10 C ATOM 692 CG ASN A 45 -9.638 2.645 11.913 1.00 2.34 C ATOM 693 OD1 ASN A 45 -8.793 2.328 12.748 1.00 51.32 O ATOM 694 ND2 ASN A 45 -10.812 3.128 12.258 1.00 14.23 N ATOM 0 H ASN A 45 -8.447 2.538 8.098 1.00 31.10 H new ATOM 0 HA ASN A 45 -9.492 4.586 9.888 1.00 31.24 H new ATOM 0 HB2 ASN A 45 -10.303 2.236 9.919 1.00 62.10 H new ATOM 0 HB3 ASN A 45 -8.683 1.665 10.265 1.00 62.10 H new ATOM 0 HD21 ASN A 45 -11.044 3.249 13.244 1.00 14.23 H new ATOM 0 HD22 ASN A 45 -11.490 3.381 11.540 1.00 14.23 H new ATOM 701 N LEU A 46 -6.348 3.824 9.867 1.00 30.12 N ATOM 702 CA LEU A 46 -5.031 4.114 10.449 1.00 34.43 C ATOM 703 C LEU A 46 -4.682 5.612 10.369 1.00 23.20 C ATOM 704 O LEU A 46 -4.964 6.276 9.369 1.00 61.30 O ATOM 705 CB LEU A 46 -3.942 3.294 9.738 1.00 32.25 C ATOM 706 CG LEU A 46 -4.084 1.767 9.849 1.00 73.04 C ATOM 707 CD1 LEU A 46 -2.947 1.064 9.110 1.00 23.33 C ATOM 708 CD2 LEU A 46 -4.129 1.326 11.312 1.00 41.41 C ATOM 0 H LEU A 46 -6.312 3.344 8.968 1.00 30.12 H new ATOM 0 HA LEU A 46 -5.075 3.834 11.502 1.00 34.43 H new ATOM 0 HB2 LEU A 46 -3.939 3.565 8.682 1.00 32.25 H new ATOM 0 HB3 LEU A 46 -2.972 3.582 10.144 1.00 32.25 H new ATOM 0 HG LEU A 46 -5.026 1.482 9.381 1.00 73.04 H new ATOM 0 HD11 LEU A 46 -3.067 -0.016 9.201 1.00 23.33 H new ATOM 0 HD12 LEU A 46 -2.970 1.344 8.057 1.00 23.33 H new ATOM 0 HD13 LEU A 46 -1.992 1.361 9.544 1.00 23.33 H new ATOM 0 HD21 LEU A 46 -4.230 0.242 11.362 1.00 41.41 H new ATOM 0 HD22 LEU A 46 -3.209 1.628 11.812 1.00 41.41 H new ATOM 0 HD23 LEU A 46 -4.981 1.793 11.807 1.00 41.41 H new ATOM 720 N PRO A 47 -4.073 6.167 11.435 1.00 12.23 N ATOM 721 CA PRO A 47 -3.593 7.554 11.438 1.00 43.01 C ATOM 722 C PRO A 47 -2.212 7.706 10.776 1.00 13.00 C ATOM 723 O PRO A 47 -1.491 6.724 10.571 1.00 51.04 O ATOM 724 CB PRO A 47 -3.519 7.874 12.933 1.00 42.42 C ATOM 725 CG PRO A 47 -3.174 6.570 13.575 1.00 30.14 C ATOM 726 CD PRO A 47 -3.821 5.496 12.730 1.00 54.11 C ATOM 0 HA PRO A 47 -4.240 8.221 10.868 1.00 43.01 H new ATOM 0 HB2 PRO A 47 -2.763 8.631 13.140 1.00 42.42 H new ATOM 0 HB3 PRO A 47 -4.468 8.261 13.304 1.00 42.42 H new ATOM 0 HG2 PRO A 47 -2.094 6.432 13.619 1.00 30.14 H new ATOM 0 HG3 PRO A 47 -3.542 6.532 14.600 1.00 30.14 H new ATOM 0 HD2 PRO A 47 -3.167 4.632 12.612 1.00 54.11 H new ATOM 0 HD3 PRO A 47 -4.746 5.136 13.180 1.00 54.11 H new ATOM 734 N GLU A 48 -1.843 8.940 10.445 1.00 15.11 N ATOM 735 CA GLU A 48 -0.528 9.212 9.853 1.00 50.42 C ATOM 736 C GLU A 48 0.599 8.985 10.877 1.00 43.33 C ATOM 737 O GLU A 48 1.706 8.577 10.521 1.00 2.31 O ATOM 738 CB GLU A 48 -0.473 10.641 9.287 1.00 34.23 C ATOM 739 CG GLU A 48 -0.752 11.732 10.316 1.00 54.04 C ATOM 740 CD GLU A 48 -0.769 13.128 9.710 1.00 44.24 C ATOM 741 OE1 GLU A 48 0.312 13.749 9.593 1.00 34.24 O ATOM 742 OE2 GLU A 48 -1.866 13.612 9.351 1.00 62.42 O ATOM 0 H GLU A 48 -2.428 9.765 10.574 1.00 15.11 H new ATOM 0 HA GLU A 48 -0.377 8.512 9.031 1.00 50.42 H new ATOM 0 HB2 GLU A 48 0.512 10.810 8.853 1.00 34.23 H new ATOM 0 HB3 GLU A 48 -1.197 10.727 8.477 1.00 34.23 H new ATOM 0 HG2 GLU A 48 -1.712 11.537 10.793 1.00 54.04 H new ATOM 0 HG3 GLU A 48 0.007 11.690 11.097 1.00 54.04 H new ATOM 749 N GLY A 49 0.312 9.248 12.152 1.00 24.41 N ATOM 750 CA GLY A 49 1.269 8.964 13.220 1.00 13.42 C ATOM 751 C GLY A 49 1.088 7.568 13.813 1.00 35.51 C ATOM 752 O GLY A 49 0.800 7.417 15.003 1.00 11.23 O ATOM 0 H GLY A 49 -0.569 9.654 12.468 1.00 24.41 H new ATOM 0 HA2 GLY A 49 2.282 9.061 12.830 1.00 13.42 H new ATOM 0 HA3 GLY A 49 1.159 9.707 14.009 1.00 13.42 H new ATOM 756 N SER A 50 1.254 6.543 12.981 1.00 53.14 N ATOM 757 CA SER A 50 1.064 5.147 13.406 1.00 10.44 C ATOM 758 C SER A 50 2.349 4.325 13.236 1.00 43.15 C ATOM 759 O SER A 50 3.416 4.872 12.953 1.00 22.23 O ATOM 760 CB SER A 50 -0.074 4.503 12.603 1.00 65.05 C ATOM 761 OG SER A 50 0.199 4.527 11.211 1.00 13.24 O ATOM 0 H SER A 50 1.521 6.648 12.002 1.00 53.14 H new ATOM 0 HA SER A 50 0.806 5.155 14.465 1.00 10.44 H new ATOM 0 HB2 SER A 50 -0.215 3.473 12.930 1.00 65.05 H new ATOM 0 HB3 SER A 50 -1.006 5.031 12.802 1.00 65.05 H new ATOM 0 HG SER A 50 -0.325 5.238 10.787 1.00 13.24 H new ATOM 767 N LYS A 51 2.246 3.010 13.432 1.00 24.02 N ATOM 768 CA LYS A 51 3.397 2.106 13.306 1.00 62.34 C ATOM 769 C LYS A 51 3.390 1.351 11.965 1.00 32.24 C ATOM 770 O LYS A 51 4.446 1.104 11.375 1.00 15.35 O ATOM 771 CB LYS A 51 3.401 1.102 14.467 1.00 55.23 C ATOM 772 CG LYS A 51 3.591 1.748 15.835 1.00 31.43 C ATOM 773 CD LYS A 51 3.561 0.716 16.957 1.00 13.53 C ATOM 774 CE LYS A 51 3.891 1.341 18.305 1.00 32.32 C ATOM 775 NZ LYS A 51 5.257 1.930 18.322 1.00 73.13 N ATOM 0 H LYS A 51 1.374 2.542 13.680 1.00 24.02 H new ATOM 0 HA LYS A 51 4.300 2.715 13.340 1.00 62.34 H new ATOM 0 HB2 LYS A 51 2.460 0.551 14.463 1.00 55.23 H new ATOM 0 HB3 LYS A 51 4.197 0.375 14.304 1.00 55.23 H new ATOM 0 HG2 LYS A 51 4.542 2.281 15.857 1.00 31.43 H new ATOM 0 HG3 LYS A 51 2.807 2.487 16.000 1.00 31.43 H new ATOM 0 HD2 LYS A 51 2.574 0.255 17.001 1.00 13.53 H new ATOM 0 HD3 LYS A 51 4.275 -0.079 16.740 1.00 13.53 H new ATOM 0 HE2 LYS A 51 3.159 2.115 18.536 1.00 32.32 H new ATOM 0 HE3 LYS A 51 3.812 0.584 19.086 1.00 32.32 H new ATOM 0 HZ1 LYS A 51 5.564 2.067 19.306 1.00 73.13 H new ATOM 0 HZ2 LYS A 51 5.918 1.288 17.840 1.00 73.13 H new ATOM 0 HZ3 LYS A 51 5.246 2.847 17.832 1.00 73.13 H new ATOM 789 N LEU A 52 2.200 0.978 11.500 1.00 3.24 N ATOM 790 CA LEU A 52 2.049 0.230 10.247 1.00 12.21 C ATOM 791 C LEU A 52 2.028 1.172 9.030 1.00 23.12 C ATOM 792 O LEU A 52 1.179 2.063 8.944 1.00 52.14 O ATOM 793 CB LEU A 52 0.754 -0.593 10.281 1.00 54.34 C ATOM 794 CG LEU A 52 0.528 -1.507 9.065 1.00 4.13 C ATOM 795 CD1 LEU A 52 1.538 -2.648 9.059 1.00 13.32 C ATOM 796 CD2 LEU A 52 -0.900 -2.043 9.043 1.00 52.31 C ATOM 0 H LEU A 52 1.319 1.181 11.973 1.00 3.24 H new ATOM 0 HA LEU A 52 2.907 -0.436 10.150 1.00 12.21 H new ATOM 0 HB2 LEU A 52 0.756 -1.207 11.182 1.00 54.34 H new ATOM 0 HB3 LEU A 52 -0.091 0.091 10.363 1.00 54.34 H new ATOM 0 HG LEU A 52 0.676 -0.915 8.162 1.00 4.13 H new ATOM 0 HD11 LEU A 52 1.363 -3.284 8.192 1.00 13.32 H new ATOM 0 HD12 LEU A 52 2.548 -2.240 9.012 1.00 13.32 H new ATOM 0 HD13 LEU A 52 1.427 -3.237 9.969 1.00 13.32 H new ATOM 0 HD21 LEU A 52 -1.034 -2.686 8.173 1.00 52.31 H new ATOM 0 HD22 LEU A 52 -1.087 -2.616 9.951 1.00 52.31 H new ATOM 0 HD23 LEU A 52 -1.601 -1.210 8.989 1.00 52.31 H new ATOM 808 N PRO A 53 2.954 0.993 8.064 1.00 2.51 N ATOM 809 CA PRO A 53 2.996 1.843 6.866 1.00 31.42 C ATOM 810 C PRO A 53 1.819 1.578 5.907 1.00 64.12 C ATOM 811 O PRO A 53 1.866 0.676 5.069 1.00 25.11 O ATOM 812 CB PRO A 53 4.335 1.463 6.213 1.00 32.21 C ATOM 813 CG PRO A 53 4.601 0.067 6.674 1.00 65.24 C ATOM 814 CD PRO A 53 4.027 -0.024 8.066 1.00 65.44 C ATOM 0 HA PRO A 53 2.913 2.902 7.112 1.00 31.42 H new ATOM 0 HB2 PRO A 53 4.274 1.516 5.126 1.00 32.21 H new ATOM 0 HB3 PRO A 53 5.132 2.140 6.521 1.00 32.21 H new ATOM 0 HG2 PRO A 53 4.133 -0.660 6.010 1.00 65.24 H new ATOM 0 HG3 PRO A 53 5.670 -0.146 6.677 1.00 65.24 H new ATOM 0 HD2 PRO A 53 3.636 -1.020 8.275 1.00 65.44 H new ATOM 0 HD3 PRO A 53 4.780 0.188 8.825 1.00 65.44 H new ATOM 822 N TRP A 54 0.771 2.387 6.036 1.00 10.44 N ATOM 823 CA TRP A 54 -0.400 2.306 5.151 1.00 63.34 C ATOM 824 C TRP A 54 -0.093 2.864 3.753 1.00 21.24 C ATOM 825 O TRP A 54 -0.679 2.442 2.757 1.00 13.30 O ATOM 826 CB TRP A 54 -1.589 3.057 5.785 1.00 31.35 C ATOM 827 CG TRP A 54 -1.220 4.387 6.394 1.00 13.33 C ATOM 828 CD1 TRP A 54 -0.923 4.628 7.706 1.00 65.21 C ATOM 829 CD2 TRP A 54 -1.114 5.653 5.724 1.00 61.55 C ATOM 830 NE1 TRP A 54 -0.629 5.955 7.890 1.00 5.31 N ATOM 831 CE2 TRP A 54 -0.739 6.606 6.691 1.00 21.42 C ATOM 832 CE3 TRP A 54 -1.291 6.073 4.401 1.00 24.12 C ATOM 833 CZ2 TRP A 54 -0.542 7.949 6.378 1.00 2.10 C ATOM 834 CZ3 TRP A 54 -1.094 7.407 4.092 1.00 11.03 C ATOM 835 CH2 TRP A 54 -0.721 8.331 5.076 1.00 22.31 C ATOM 0 H TRP A 54 0.704 3.113 6.749 1.00 10.44 H new ATOM 0 HA TRP A 54 -0.662 1.255 5.031 1.00 63.34 H new ATOM 0 HB2 TRP A 54 -2.352 3.217 5.023 1.00 31.35 H new ATOM 0 HB3 TRP A 54 -2.034 2.427 6.555 1.00 31.35 H new ATOM 0 HD1 TRP A 54 -0.920 3.881 8.486 1.00 65.21 H new ATOM 0 HE1 TRP A 54 -0.370 6.387 8.777 1.00 5.31 H new ATOM 0 HE3 TRP A 54 -1.576 5.368 3.634 1.00 24.12 H new ATOM 0 HZ2 TRP A 54 -0.258 8.664 7.136 1.00 2.10 H new ATOM 0 HZ3 TRP A 54 -1.230 7.742 3.074 1.00 11.03 H new ATOM 0 HH2 TRP A 54 -0.572 9.365 4.802 1.00 22.31 H new ATOM 846 N PHE A 55 0.854 3.794 3.691 1.00 14.12 N ATOM 847 CA PHE A 55 1.199 4.482 2.439 1.00 51.30 C ATOM 848 C PHE A 55 1.851 3.558 1.388 1.00 0.43 C ATOM 849 O PHE A 55 2.002 3.946 0.231 1.00 13.22 O ATOM 850 CB PHE A 55 2.107 5.691 2.736 1.00 23.02 C ATOM 851 CG PHE A 55 3.233 5.413 3.704 1.00 62.01 C ATOM 852 CD1 PHE A 55 4.427 4.858 3.270 1.00 25.13 C ATOM 853 CD2 PHE A 55 3.095 5.719 5.052 1.00 74.12 C ATOM 854 CE1 PHE A 55 5.457 4.611 4.157 1.00 44.23 C ATOM 855 CE2 PHE A 55 4.122 5.474 5.943 1.00 33.43 C ATOM 856 CZ PHE A 55 5.305 4.919 5.495 1.00 11.05 C ATOM 0 H PHE A 55 1.403 4.095 4.496 1.00 14.12 H new ATOM 0 HA PHE A 55 0.261 4.822 2.000 1.00 51.30 H new ATOM 0 HB2 PHE A 55 2.532 6.048 1.798 1.00 23.02 H new ATOM 0 HB3 PHE A 55 1.494 6.499 3.135 1.00 23.02 H new ATOM 0 HD1 PHE A 55 4.554 4.616 2.225 1.00 25.13 H new ATOM 0 HD2 PHE A 55 2.173 6.154 5.408 1.00 74.12 H new ATOM 0 HE1 PHE A 55 6.381 4.177 3.804 1.00 44.23 H new ATOM 0 HE2 PHE A 55 4.000 5.716 6.988 1.00 33.43 H new ATOM 0 HZ PHE A 55 6.109 4.726 6.189 1.00 11.05 H new ATOM 866 N ARG A 56 2.217 2.338 1.778 1.00 53.15 N ATOM 867 CA ARG A 56 2.883 1.403 0.857 1.00 32.44 C ATOM 868 C ARG A 56 1.891 0.495 0.105 1.00 12.41 C ATOM 869 O ARG A 56 2.289 -0.261 -0.782 1.00 2.23 O ATOM 870 CB ARG A 56 3.883 0.524 1.620 1.00 61.03 C ATOM 871 CG ARG A 56 5.052 1.280 2.242 1.00 21.45 C ATOM 872 CD ARG A 56 6.036 0.313 2.885 1.00 71.24 C ATOM 873 NE ARG A 56 7.121 0.986 3.589 1.00 75.01 N ATOM 874 CZ ARG A 56 7.830 0.426 4.533 1.00 12.40 C ATOM 875 NH1 ARG A 56 7.605 -0.797 4.892 1.00 40.31 N ATOM 876 NH2 ARG A 56 8.769 1.084 5.118 1.00 40.11 N ATOM 0 H ARG A 56 2.067 1.971 2.718 1.00 53.15 H new ATOM 0 HA ARG A 56 3.400 2.016 0.119 1.00 32.44 H new ATOM 0 HB2 ARG A 56 3.351 -0.007 2.409 1.00 61.03 H new ATOM 0 HB3 ARG A 56 4.277 -0.230 0.938 1.00 61.03 H new ATOM 0 HG2 ARG A 56 5.559 1.868 1.477 1.00 21.45 H new ATOM 0 HG3 ARG A 56 4.682 1.981 2.990 1.00 21.45 H new ATOM 0 HD2 ARG A 56 5.501 -0.330 3.584 1.00 71.24 H new ATOM 0 HD3 ARG A 56 6.456 -0.334 2.115 1.00 71.24 H new ATOM 0 HE ARG A 56 7.339 1.948 3.330 1.00 75.01 H new ATOM 0 HH11 ARG A 56 6.867 -1.335 4.437 1.00 40.31 H new ATOM 0 HH12 ARG A 56 8.165 -1.223 5.630 1.00 40.31 H new ATOM 0 HH21 ARG A 56 8.963 2.048 4.845 1.00 40.11 H new ATOM 0 HH22 ARG A 56 9.319 0.642 5.854 1.00 40.11 H new ATOM 890 N VAL A 57 0.607 0.556 0.453 1.00 5.05 N ATOM 891 CA VAL A 57 -0.389 -0.347 -0.139 1.00 73.33 C ATOM 892 C VAL A 57 -1.352 0.397 -1.081 1.00 13.31 C ATOM 893 O VAL A 57 -2.174 1.209 -0.646 1.00 44.41 O ATOM 894 CB VAL A 57 -1.203 -1.083 0.956 1.00 42.30 C ATOM 895 CG1 VAL A 57 -2.114 -2.142 0.334 1.00 35.21 C ATOM 896 CG2 VAL A 57 -0.273 -1.706 2.001 1.00 74.21 C ATOM 0 H VAL A 57 0.230 1.214 1.135 1.00 5.05 H new ATOM 0 HA VAL A 57 0.167 -1.080 -0.724 1.00 73.33 H new ATOM 0 HB VAL A 57 -1.832 -0.350 1.461 1.00 42.30 H new ATOM 0 HG11 VAL A 57 -2.676 -2.646 1.120 1.00 35.21 H new ATOM 0 HG12 VAL A 57 -2.807 -1.664 -0.358 1.00 35.21 H new ATOM 0 HG13 VAL A 57 -1.509 -2.872 -0.204 1.00 35.21 H new ATOM 0 HG21 VAL A 57 -0.867 -2.217 2.759 1.00 74.21 H new ATOM 0 HG22 VAL A 57 0.391 -2.422 1.517 1.00 74.21 H new ATOM 0 HG23 VAL A 57 0.321 -0.923 2.473 1.00 74.21 H new ATOM 906 N ILE A 58 -1.245 0.108 -2.376 1.00 31.21 N ATOM 907 CA ILE A 58 -2.091 0.744 -3.394 1.00 71.35 C ATOM 908 C ILE A 58 -2.925 -0.295 -4.169 1.00 53.42 C ATOM 909 O ILE A 58 -2.903 -1.488 -3.855 1.00 71.30 O ATOM 910 CB ILE A 58 -1.238 1.560 -4.398 1.00 1.43 C ATOM 911 CG1 ILE A 58 -0.221 0.652 -5.110 1.00 45.32 C ATOM 912 CG2 ILE A 58 -0.531 2.713 -3.685 1.00 73.51 C ATOM 913 CD1 ILE A 58 0.602 1.362 -6.165 1.00 75.34 C ATOM 0 H ILE A 58 -0.578 -0.566 -2.751 1.00 31.21 H new ATOM 0 HA ILE A 58 -2.768 1.415 -2.865 1.00 71.35 H new ATOM 0 HB ILE A 58 -1.902 1.980 -5.153 1.00 1.43 H new ATOM 0 HG12 ILE A 58 0.451 0.223 -4.367 1.00 45.32 H new ATOM 0 HG13 ILE A 58 -0.753 -0.178 -5.576 1.00 45.32 H new ATOM 0 HG21 ILE A 58 0.064 3.276 -4.405 1.00 73.51 H new ATOM 0 HG22 ILE A 58 -1.273 3.371 -3.234 1.00 73.51 H new ATOM 0 HG23 ILE A 58 0.121 2.315 -2.908 1.00 73.51 H new ATOM 0 HD11 ILE A 58 1.295 0.656 -6.622 1.00 75.34 H new ATOM 0 HD12 ILE A 58 -0.060 1.768 -6.931 1.00 75.34 H new ATOM 0 HD13 ILE A 58 1.163 2.174 -5.703 1.00 75.34 H new ATOM 925 N ASN A 59 -3.677 0.161 -5.174 1.00 62.14 N ATOM 926 CA ASN A 59 -4.498 -0.744 -5.993 1.00 12.23 C ATOM 927 C ASN A 59 -3.695 -1.322 -7.178 1.00 51.30 C ATOM 928 O ASN A 59 -2.733 -0.715 -7.649 1.00 1.52 O ATOM 929 CB ASN A 59 -5.764 -0.022 -6.483 1.00 54.51 C ATOM 930 CG ASN A 59 -5.463 1.250 -7.254 1.00 24.43 C ATOM 931 OD1 ASN A 59 -5.456 1.165 -8.568 1.00 22.21 O flip ATOM 932 ND2 ASN A 59 -5.267 2.307 -6.673 1.00 1.15 N flip ATOM 0 H ASN A 59 -3.737 1.144 -5.441 1.00 62.14 H new ATOM 0 HA ASN A 59 -4.799 -1.584 -5.367 1.00 12.23 H new ATOM 0 HB2 ASN A 59 -6.338 -0.697 -7.118 1.00 54.51 H new ATOM 0 HB3 ASN A 59 -6.392 0.220 -5.626 1.00 54.51 H new ATOM 0 HD21 ASN A 59 -5.279 2.338 -5.654 1.00 1.15 H new ATOM 0 HD22 ASN A 59 -5.091 3.158 -7.207 1.00 1.15 H new ATOM 939 N SER A 60 -4.119 -2.494 -7.660 1.00 20.53 N ATOM 940 CA SER A 60 -3.385 -3.254 -8.696 1.00 34.21 C ATOM 941 C SER A 60 -3.166 -2.467 -10.001 1.00 13.13 C ATOM 942 O SER A 60 -2.340 -2.849 -10.831 1.00 2.33 O ATOM 943 CB SER A 60 -4.125 -4.565 -9.011 1.00 0.31 C ATOM 944 OG SER A 60 -5.448 -4.315 -9.468 1.00 10.33 O ATOM 0 H SER A 60 -4.978 -2.948 -7.349 1.00 20.53 H new ATOM 0 HA SER A 60 -2.398 -3.458 -8.280 1.00 34.21 H new ATOM 0 HB2 SER A 60 -3.575 -5.122 -9.770 1.00 0.31 H new ATOM 0 HB3 SER A 60 -4.158 -5.190 -8.118 1.00 0.31 H new ATOM 0 HG SER A 60 -5.893 -5.166 -9.662 1.00 10.33 H new ATOM 950 N GLN A 61 -3.908 -1.377 -10.188 1.00 44.13 N ATOM 951 CA GLN A 61 -3.756 -0.532 -11.384 1.00 14.13 C ATOM 952 C GLN A 61 -2.531 0.400 -11.273 1.00 33.24 C ATOM 953 O GLN A 61 -2.181 1.102 -12.226 1.00 1.34 O ATOM 954 CB GLN A 61 -5.036 0.284 -11.620 1.00 13.22 C ATOM 955 CG GLN A 61 -6.280 -0.581 -11.826 1.00 4.12 C ATOM 956 CD GLN A 61 -7.546 0.239 -12.033 1.00 51.34 C ATOM 957 OE1 GLN A 61 -7.505 1.351 -12.548 1.00 23.54 O ATOM 958 NE2 GLN A 61 -8.683 -0.305 -11.638 1.00 71.14 N ATOM 0 H GLN A 61 -4.620 -1.054 -9.533 1.00 44.13 H new ATOM 0 HA GLN A 61 -3.589 -1.188 -12.238 1.00 14.13 H new ATOM 0 HB2 GLN A 61 -5.199 0.944 -10.768 1.00 13.22 H new ATOM 0 HB3 GLN A 61 -4.896 0.920 -12.494 1.00 13.22 H new ATOM 0 HG2 GLN A 61 -6.127 -1.228 -12.690 1.00 4.12 H new ATOM 0 HG3 GLN A 61 -6.412 -1.231 -10.961 1.00 4.12 H new ATOM 0 HE21 GLN A 61 -8.684 -1.232 -11.213 1.00 71.14 H new ATOM 0 HE22 GLN A 61 -9.560 0.202 -11.758 1.00 71.14 H new ATOM 967 N GLY A 62 -1.889 0.398 -10.103 1.00 3.41 N ATOM 968 CA GLY A 62 -0.676 1.186 -9.891 1.00 30.24 C ATOM 969 C GLY A 62 -0.936 2.669 -9.637 1.00 1.21 C ATOM 970 O GLY A 62 -0.367 3.529 -10.313 1.00 73.54 O ATOM 0 H GLY A 62 -2.189 -0.140 -9.290 1.00 3.41 H new ATOM 0 HA2 GLY A 62 -0.130 0.773 -9.043 1.00 30.24 H new ATOM 0 HA3 GLY A 62 -0.032 1.085 -10.765 1.00 30.24 H new ATOM 974 N LYS A 63 -1.782 2.975 -8.656 1.00 74.10 N ATOM 975 CA LYS A 63 -2.105 4.369 -8.324 1.00 74.35 C ATOM 976 C LYS A 63 -2.455 4.525 -6.834 1.00 54.02 C ATOM 977 O LYS A 63 -2.847 3.564 -6.172 1.00 0.12 O ATOM 978 CB LYS A 63 -3.276 4.858 -9.192 1.00 64.54 C ATOM 979 CG LYS A 63 -3.612 6.339 -9.012 1.00 11.40 C ATOM 980 CD LYS A 63 -4.839 6.755 -9.819 1.00 3.33 C ATOM 981 CE LYS A 63 -5.156 8.237 -9.643 1.00 13.45 C ATOM 982 NZ LYS A 63 -6.379 8.632 -10.389 1.00 14.35 N ATOM 0 H LYS A 63 -2.257 2.283 -8.077 1.00 74.10 H new ATOM 0 HA LYS A 63 -1.223 4.976 -8.528 1.00 74.35 H new ATOM 0 HB2 LYS A 63 -3.038 4.675 -10.240 1.00 64.54 H new ATOM 0 HB3 LYS A 63 -4.160 4.265 -8.958 1.00 64.54 H new ATOM 0 HG2 LYS A 63 -3.787 6.544 -7.956 1.00 11.40 H new ATOM 0 HG3 LYS A 63 -2.757 6.943 -9.316 1.00 11.40 H new ATOM 0 HD2 LYS A 63 -4.669 6.542 -10.874 1.00 3.33 H new ATOM 0 HD3 LYS A 63 -5.698 6.160 -9.508 1.00 3.33 H new ATOM 0 HE2 LYS A 63 -5.289 8.457 -8.584 1.00 13.45 H new ATOM 0 HE3 LYS A 63 -4.311 8.833 -9.988 1.00 13.45 H new ATOM 0 HZ1 LYS A 63 -6.561 9.646 -10.245 1.00 14.35 H new ATOM 0 HZ2 LYS A 63 -6.242 8.446 -11.403 1.00 14.35 H new ATOM 0 HZ3 LYS A 63 -7.190 8.081 -10.042 1.00 14.35 H new ATOM 996 N ILE A 64 -2.299 5.740 -6.314 1.00 54.31 N ATOM 997 CA ILE A 64 -2.685 6.057 -4.936 1.00 4.32 C ATOM 998 C ILE A 64 -4.215 6.157 -4.796 1.00 21.32 C ATOM 999 O ILE A 64 -4.877 6.844 -5.577 1.00 65.11 O ATOM 1000 CB ILE A 64 -2.033 7.389 -4.475 1.00 73.24 C ATOM 1001 CG1 ILE A 64 -0.499 7.258 -4.471 1.00 71.03 C ATOM 1002 CG2 ILE A 64 -2.547 7.803 -3.095 1.00 71.30 C ATOM 1003 CD1 ILE A 64 0.227 8.535 -4.093 1.00 31.41 C ATOM 0 H ILE A 64 -1.905 6.528 -6.828 1.00 54.31 H new ATOM 0 HA ILE A 64 -2.328 5.246 -4.302 1.00 4.32 H new ATOM 0 HB ILE A 64 -2.313 8.170 -5.182 1.00 73.24 H new ATOM 0 HG12 ILE A 64 -0.214 6.470 -3.774 1.00 71.03 H new ATOM 0 HG13 ILE A 64 -0.169 6.943 -5.461 1.00 71.03 H new ATOM 0 HG21 ILE A 64 -2.074 8.739 -2.796 1.00 71.30 H new ATOM 0 HG22 ILE A 64 -3.628 7.939 -3.135 1.00 71.30 H new ATOM 0 HG23 ILE A 64 -2.306 7.027 -2.369 1.00 71.30 H new ATOM 0 HD11 ILE A 64 1.303 8.361 -4.113 1.00 31.41 H new ATOM 0 HD12 ILE A 64 -0.027 9.322 -4.803 1.00 31.41 H new ATOM 0 HD13 ILE A 64 -0.072 8.841 -3.091 1.00 31.41 H new ATOM 1015 N SER A 65 -4.770 5.466 -3.801 1.00 1.44 N ATOM 1016 CA SER A 65 -6.223 5.480 -3.558 1.00 31.12 C ATOM 1017 C SER A 65 -6.658 6.752 -2.816 1.00 62.24 C ATOM 1018 O SER A 65 -7.774 7.248 -3.014 1.00 42.24 O ATOM 1019 CB SER A 65 -6.649 4.246 -2.751 1.00 51.33 C ATOM 1020 OG SER A 65 -6.064 4.242 -1.456 1.00 50.53 O ATOM 0 H SER A 65 -4.241 4.888 -3.148 1.00 1.44 H new ATOM 0 HA SER A 65 -6.713 5.463 -4.531 1.00 31.12 H new ATOM 0 HB2 SER A 65 -7.735 4.227 -2.661 1.00 51.33 H new ATOM 0 HB3 SER A 65 -6.357 3.342 -3.286 1.00 51.33 H new ATOM 0 HG SER A 65 -5.804 3.328 -1.217 1.00 50.53 H new ATOM 1026 N LEU A 66 -5.779 7.266 -1.952 1.00 43.13 N ATOM 1027 CA LEU A 66 -6.036 8.517 -1.226 1.00 32.13 C ATOM 1028 C LEU A 66 -6.165 9.706 -2.190 1.00 4.53 C ATOM 1029 O LEU A 66 -5.647 9.671 -3.305 1.00 62.45 O ATOM 1030 CB LEU A 66 -4.917 8.786 -0.208 1.00 20.03 C ATOM 1031 CG LEU A 66 -4.778 7.738 0.910 1.00 52.32 C ATOM 1032 CD1 LEU A 66 -3.661 8.127 1.875 1.00 3.04 C ATOM 1033 CD2 LEU A 66 -6.102 7.561 1.657 1.00 1.04 C ATOM 0 H LEU A 66 -4.880 6.835 -1.736 1.00 43.13 H new ATOM 0 HA LEU A 66 -6.982 8.404 -0.696 1.00 32.13 H new ATOM 0 HB2 LEU A 66 -3.970 8.850 -0.743 1.00 20.03 H new ATOM 0 HB3 LEU A 66 -5.091 9.760 0.249 1.00 20.03 H new ATOM 0 HG LEU A 66 -4.518 6.784 0.452 1.00 52.32 H new ATOM 0 HD11 LEU A 66 -3.578 7.374 2.658 1.00 3.04 H new ATOM 0 HD12 LEU A 66 -2.718 8.192 1.333 1.00 3.04 H new ATOM 0 HD13 LEU A 66 -3.888 9.094 2.324 1.00 3.04 H new ATOM 0 HD21 LEU A 66 -5.980 6.815 2.443 1.00 1.04 H new ATOM 0 HD22 LEU A 66 -6.399 8.511 2.101 1.00 1.04 H new ATOM 0 HD23 LEU A 66 -6.872 7.230 0.960 1.00 1.04 H new ATOM 1045 N LYS A 67 -6.851 10.761 -1.757 1.00 22.42 N ATOM 1046 CA LYS A 67 -7.162 11.889 -2.644 1.00 15.40 C ATOM 1047 C LYS A 67 -6.863 13.249 -1.991 1.00 33.34 C ATOM 1048 O LYS A 67 -7.087 13.444 -0.795 1.00 61.03 O ATOM 1049 CB LYS A 67 -8.636 11.807 -3.067 1.00 64.44 C ATOM 1050 CG LYS A 67 -8.963 10.525 -3.832 1.00 54.13 C ATOM 1051 CD LYS A 67 -10.458 10.346 -4.065 1.00 61.30 C ATOM 1052 CE LYS A 67 -10.754 9.024 -4.766 1.00 0.13 C ATOM 1053 NZ LYS A 67 -10.223 7.857 -4.005 1.00 0.44 N ATOM 0 H LYS A 67 -7.202 10.862 -0.805 1.00 22.42 H new ATOM 0 HA LYS A 67 -6.518 11.816 -3.520 1.00 15.40 H new ATOM 0 HB2 LYS A 67 -9.267 11.867 -2.180 1.00 64.44 H new ATOM 0 HB3 LYS A 67 -8.879 12.668 -3.690 1.00 64.44 H new ATOM 0 HG2 LYS A 67 -8.449 10.539 -4.793 1.00 54.13 H new ATOM 0 HG3 LYS A 67 -8.580 9.668 -3.278 1.00 54.13 H new ATOM 0 HD2 LYS A 67 -10.984 10.380 -3.111 1.00 61.30 H new ATOM 0 HD3 LYS A 67 -10.836 11.172 -4.667 1.00 61.30 H new ATOM 0 HE2 LYS A 67 -11.831 8.914 -4.893 1.00 0.13 H new ATOM 0 HE3 LYS A 67 -10.315 9.036 -5.764 1.00 0.13 H new ATOM 0 HZ1 LYS A 67 -10.504 6.976 -4.480 1.00 0.44 H new ATOM 0 HZ2 LYS A 67 -9.185 7.913 -3.964 1.00 0.44 H new ATOM 0 HZ3 LYS A 67 -10.609 7.868 -3.039 1.00 0.44 H new ATOM 1067 N GLY A 68 -6.354 14.184 -2.796 1.00 34.00 N ATOM 1068 CA GLY A 68 -6.042 15.524 -2.306 1.00 50.05 C ATOM 1069 C GLY A 68 -4.788 15.584 -1.437 1.00 43.22 C ATOM 1070 O GLY A 68 -3.757 14.994 -1.772 1.00 5.30 O ATOM 0 H GLY A 68 -6.151 14.037 -3.785 1.00 34.00 H new ATOM 0 HA2 GLY A 68 -5.915 16.192 -3.158 1.00 50.05 H new ATOM 0 HA3 GLY A 68 -6.890 15.897 -1.731 1.00 50.05 H new ATOM 1074 N ARG A 69 -4.886 16.300 -0.313 1.00 72.53 N ATOM 1075 CA ARG A 69 -3.766 16.456 0.628 1.00 11.21 C ATOM 1076 C ARG A 69 -3.216 15.094 1.086 1.00 3.24 C ATOM 1077 O ARG A 69 -2.010 14.931 1.272 1.00 55.11 O ATOM 1078 CB ARG A 69 -4.231 17.277 1.841 1.00 42.12 C ATOM 1079 CG ARG A 69 -3.148 17.557 2.881 1.00 70.25 C ATOM 1080 CD ARG A 69 -3.684 18.438 4.007 1.00 53.11 C ATOM 1081 NE ARG A 69 -2.685 18.723 5.033 1.00 51.33 N ATOM 1082 CZ ARG A 69 -2.721 19.772 5.812 1.00 3.10 C ATOM 1083 NH1 ARG A 69 -3.642 20.673 5.660 1.00 61.15 N ATOM 1084 NH2 ARG A 69 -1.828 19.926 6.737 1.00 32.22 N ATOM 0 H ARG A 69 -5.736 16.786 -0.028 1.00 72.53 H new ATOM 0 HA ARG A 69 -2.958 16.979 0.116 1.00 11.21 H new ATOM 0 HB2 ARG A 69 -4.629 18.228 1.487 1.00 42.12 H new ATOM 0 HB3 ARG A 69 -5.052 16.749 2.326 1.00 42.12 H new ATOM 0 HG2 ARG A 69 -2.783 16.616 3.293 1.00 70.25 H new ATOM 0 HG3 ARG A 69 -2.299 18.047 2.404 1.00 70.25 H new ATOM 0 HD2 ARG A 69 -4.043 19.377 3.586 1.00 53.11 H new ATOM 0 HD3 ARG A 69 -4.541 17.947 4.468 1.00 53.11 H new ATOM 0 HE ARG A 69 -1.914 18.065 5.149 1.00 51.33 H new ATOM 0 HH11 ARG A 69 -4.345 20.566 4.929 1.00 61.15 H new ATOM 0 HH12 ARG A 69 -3.663 21.489 6.272 1.00 61.15 H new ATOM 0 HH21 ARG A 69 -1.094 19.228 6.859 1.00 32.22 H new ATOM 0 HH22 ARG A 69 -1.858 20.745 7.344 1.00 32.22 H new ATOM 1098 N ASP A 70 -4.111 14.123 1.255 1.00 10.05 N ATOM 1099 CA ASP A 70 -3.733 12.765 1.659 1.00 22.33 C ATOM 1100 C ASP A 70 -2.927 12.055 0.557 1.00 72.41 C ATOM 1101 O ASP A 70 -1.956 11.350 0.842 1.00 25.14 O ATOM 1102 CB ASP A 70 -4.991 11.961 1.998 1.00 51.14 C ATOM 1103 CG ASP A 70 -5.834 12.644 3.061 1.00 60.45 C ATOM 1104 OD1 ASP A 70 -6.499 13.652 2.741 1.00 74.53 O ATOM 1105 OD2 ASP A 70 -5.828 12.193 4.225 1.00 62.41 O ATOM 0 H ASP A 70 -5.114 14.251 1.117 1.00 10.05 H new ATOM 0 HA ASP A 70 -3.097 12.834 2.541 1.00 22.33 H new ATOM 0 HB2 ASP A 70 -5.587 11.823 1.096 1.00 51.14 H new ATOM 0 HB3 ASP A 70 -4.704 10.968 2.345 1.00 51.14 H new ATOM 1110 N LEU A 71 -3.333 12.257 -0.698 1.00 63.30 N ATOM 1111 CA LEU A 71 -2.638 11.667 -1.851 1.00 15.33 C ATOM 1112 C LEU A 71 -1.184 12.153 -1.913 1.00 50.23 C ATOM 1113 O LEU A 71 -0.244 11.351 -1.952 1.00 24.52 O ATOM 1114 CB LEU A 71 -3.393 12.022 -3.151 1.00 34.15 C ATOM 1115 CG LEU A 71 -2.915 11.316 -4.446 1.00 45.43 C ATOM 1116 CD1 LEU A 71 -4.008 11.351 -5.512 1.00 53.24 C ATOM 1117 CD2 LEU A 71 -1.635 11.950 -4.995 1.00 33.13 C ATOM 0 H LEU A 71 -4.142 12.826 -0.946 1.00 63.30 H new ATOM 0 HA LEU A 71 -2.622 10.583 -1.739 1.00 15.33 H new ATOM 0 HB2 LEU A 71 -4.448 11.790 -3.006 1.00 34.15 H new ATOM 0 HB3 LEU A 71 -3.321 13.099 -3.304 1.00 34.15 H new ATOM 0 HG LEU A 71 -2.697 10.279 -4.189 1.00 45.43 H new ATOM 0 HD11 LEU A 71 -3.653 10.851 -6.413 1.00 53.24 H new ATOM 0 HD12 LEU A 71 -4.896 10.841 -5.139 1.00 53.24 H new ATOM 0 HD13 LEU A 71 -4.255 12.387 -5.745 1.00 53.24 H new ATOM 0 HD21 LEU A 71 -1.331 11.428 -5.903 1.00 33.13 H new ATOM 0 HD22 LEU A 71 -1.818 13.000 -5.224 1.00 33.13 H new ATOM 0 HD23 LEU A 71 -0.843 11.874 -4.250 1.00 33.13 H new ATOM 1129 N ASP A 72 -1.004 13.473 -1.910 1.00 52.52 N ATOM 1130 CA ASP A 72 0.331 14.067 -1.974 1.00 41.14 C ATOM 1131 C ASP A 72 1.143 13.734 -0.709 1.00 24.42 C ATOM 1132 O ASP A 72 2.365 13.581 -0.759 1.00 43.04 O ATOM 1133 CB ASP A 72 0.222 15.583 -2.168 1.00 10.21 C ATOM 1134 CG ASP A 72 1.530 16.191 -2.636 1.00 24.32 C ATOM 1135 OD1 ASP A 72 1.825 16.103 -3.847 1.00 64.13 O ATOM 1136 OD2 ASP A 72 2.273 16.747 -1.805 1.00 12.44 O ATOM 0 H ASP A 72 -1.765 14.151 -1.864 1.00 52.52 H new ATOM 0 HA ASP A 72 0.859 13.643 -2.828 1.00 41.14 H new ATOM 0 HB2 ASP A 72 -0.560 15.800 -2.896 1.00 10.21 H new ATOM 0 HB3 ASP A 72 -0.079 16.048 -1.229 1.00 10.21 H new ATOM 1141 N ARG A 73 0.447 13.619 0.427 1.00 21.24 N ATOM 1142 CA ARG A 73 1.070 13.180 1.683 1.00 3.52 C ATOM 1143 C ARG A 73 1.696 11.789 1.521 1.00 42.12 C ATOM 1144 O ARG A 73 2.851 11.568 1.894 1.00 12.54 O ATOM 1145 CB ARG A 73 0.027 13.144 2.809 1.00 61.45 C ATOM 1146 CG ARG A 73 0.576 12.677 4.157 1.00 61.31 C ATOM 1147 CD ARG A 73 -0.536 12.499 5.187 1.00 11.42 C ATOM 1148 NE ARG A 73 -1.292 13.733 5.393 1.00 31.21 N ATOM 1149 CZ ARG A 73 -2.597 13.814 5.376 1.00 32.42 C ATOM 1150 NH1 ARG A 73 -3.323 12.755 5.186 1.00 72.11 N ATOM 1151 NH2 ARG A 73 -3.173 14.959 5.561 1.00 60.12 N ATOM 0 H ARG A 73 -0.549 13.824 0.504 1.00 21.24 H new ATOM 0 HA ARG A 73 1.854 13.892 1.939 1.00 3.52 H new ATOM 0 HB2 ARG A 73 -0.397 14.141 2.928 1.00 61.45 H new ATOM 0 HB3 ARG A 73 -0.788 12.484 2.513 1.00 61.45 H new ATOM 0 HG2 ARG A 73 1.106 11.734 4.027 1.00 61.31 H new ATOM 0 HG3 ARG A 73 1.301 13.402 4.526 1.00 61.31 H new ATOM 0 HD2 ARG A 73 -1.212 11.710 4.858 1.00 11.42 H new ATOM 0 HD3 ARG A 73 -0.105 12.175 6.134 1.00 11.42 H new ATOM 0 HE ARG A 73 -0.765 14.590 5.562 1.00 31.21 H new ATOM 0 HH11 ARG A 73 -2.876 11.848 5.048 1.00 72.11 H new ATOM 0 HH12 ARG A 73 -4.340 12.829 5.175 1.00 72.11 H new ATOM 0 HH21 ARG A 73 -2.609 15.794 5.719 1.00 60.12 H new ATOM 0 HH22 ARG A 73 -4.191 15.026 5.548 1.00 60.12 H new ATOM 1165 N GLN A 74 0.921 10.857 0.961 1.00 12.14 N ATOM 1166 CA GLN A 74 1.399 9.491 0.723 1.00 43.52 C ATOM 1167 C GLN A 74 2.646 9.497 -0.175 1.00 64.24 C ATOM 1168 O GLN A 74 3.643 8.842 0.127 1.00 20.05 O ATOM 1169 CB GLN A 74 0.289 8.632 0.090 1.00 1.02 C ATOM 1170 CG GLN A 74 0.673 7.164 -0.083 1.00 74.11 C ATOM 1171 CD GLN A 74 -0.483 6.294 -0.552 1.00 71.32 C ATOM 1172 OE1 GLN A 74 -1.641 6.582 -0.290 1.00 33.50 O ATOM 1173 NE2 GLN A 74 -0.175 5.202 -1.223 1.00 50.34 N ATOM 0 H GLN A 74 -0.041 11.022 0.664 1.00 12.14 H new ATOM 0 HA GLN A 74 1.671 9.055 1.685 1.00 43.52 H new ATOM 0 HB2 GLN A 74 -0.605 8.694 0.711 1.00 1.02 H new ATOM 0 HB3 GLN A 74 0.030 9.048 -0.884 1.00 1.02 H new ATOM 0 HG2 GLN A 74 1.489 7.091 -0.802 1.00 74.11 H new ATOM 0 HG3 GLN A 74 1.048 6.779 0.865 1.00 74.11 H new ATOM 0 HE21 GLN A 74 0.801 4.987 -1.427 1.00 50.34 H new ATOM 0 HE22 GLN A 74 -0.913 4.572 -1.538 1.00 50.34 H new ATOM 1182 N LYS A 75 2.587 10.261 -1.266 1.00 3.35 N ATOM 1183 CA LYS A 75 3.733 10.402 -2.174 1.00 51.32 C ATOM 1184 C LYS A 75 4.974 10.937 -1.440 1.00 14.11 C ATOM 1185 O LYS A 75 6.070 10.416 -1.615 1.00 52.41 O ATOM 1186 CB LYS A 75 3.378 11.319 -3.354 1.00 31.31 C ATOM 1187 CG LYS A 75 4.573 11.685 -4.236 1.00 73.33 C ATOM 1188 CD LYS A 75 4.137 12.293 -5.567 1.00 71.44 C ATOM 1189 CE LYS A 75 3.255 13.516 -5.375 1.00 31.40 C ATOM 1190 NZ LYS A 75 3.990 14.663 -4.778 1.00 60.32 N ATOM 0 H LYS A 75 1.762 10.792 -1.545 1.00 3.35 H new ATOM 0 HA LYS A 75 3.972 9.410 -2.556 1.00 51.32 H new ATOM 0 HB2 LYS A 75 2.622 10.829 -3.968 1.00 31.31 H new ATOM 0 HB3 LYS A 75 2.930 12.235 -2.968 1.00 31.31 H new ATOM 0 HG2 LYS A 75 5.211 12.392 -3.706 1.00 73.33 H new ATOM 0 HG3 LYS A 75 5.172 10.794 -4.423 1.00 73.33 H new ATOM 0 HD2 LYS A 75 5.019 12.570 -6.145 1.00 71.44 H new ATOM 0 HD3 LYS A 75 3.597 11.545 -6.147 1.00 71.44 H new ATOM 0 HE2 LYS A 75 2.841 13.816 -6.338 1.00 31.40 H new ATOM 0 HE3 LYS A 75 2.413 13.255 -4.734 1.00 31.40 H new ATOM 0 HZ1 LYS A 75 3.318 15.421 -4.543 1.00 60.32 H new ATOM 0 HZ2 LYS A 75 4.477 14.351 -3.913 1.00 60.32 H new ATOM 0 HZ3 LYS A 75 4.690 15.019 -5.460 1.00 60.32 H new ATOM 1204 N GLN A 76 4.796 11.970 -0.621 1.00 31.34 N ATOM 1205 CA GLN A 76 5.906 12.528 0.164 1.00 64.21 C ATOM 1206 C GLN A 76 6.521 11.483 1.115 1.00 10.45 C ATOM 1207 O GLN A 76 7.733 11.470 1.335 1.00 14.02 O ATOM 1208 CB GLN A 76 5.435 13.762 0.949 1.00 41.23 C ATOM 1209 CG GLN A 76 5.342 15.029 0.100 1.00 23.23 C ATOM 1210 CD GLN A 76 4.781 16.217 0.865 1.00 73.10 C ATOM 1211 OE1 GLN A 76 5.511 16.939 1.539 1.00 30.34 O ATOM 1212 NE2 GLN A 76 3.491 16.454 0.737 1.00 32.12 N ATOM 0 H GLN A 76 3.901 12.439 -0.480 1.00 31.34 H new ATOM 0 HA GLN A 76 6.686 12.828 -0.535 1.00 64.21 H new ATOM 0 HB2 GLN A 76 4.458 13.554 1.384 1.00 41.23 H new ATOM 0 HB3 GLN A 76 6.121 13.939 1.777 1.00 41.23 H new ATOM 0 HG2 GLN A 76 6.334 15.281 -0.276 1.00 23.23 H new ATOM 0 HG3 GLN A 76 4.712 14.833 -0.768 1.00 23.23 H new ATOM 0 HE21 GLN A 76 2.912 15.835 0.170 1.00 32.12 H new ATOM 0 HE22 GLN A 76 3.071 17.257 1.205 1.00 32.12 H new ATOM 1221 N LYS A 77 5.688 10.604 1.673 1.00 51.44 N ATOM 1222 CA LYS A 77 6.178 9.520 2.534 1.00 53.40 C ATOM 1223 C LYS A 77 6.980 8.490 1.718 1.00 33.23 C ATOM 1224 O LYS A 77 8.060 8.058 2.128 1.00 41.33 O ATOM 1225 CB LYS A 77 5.008 8.823 3.245 1.00 50.35 C ATOM 1226 CG LYS A 77 4.138 9.735 4.124 1.00 5.23 C ATOM 1227 CD LYS A 77 4.895 10.315 5.327 1.00 53.40 C ATOM 1228 CE LYS A 77 5.638 11.609 4.991 1.00 54.41 C ATOM 1229 NZ LYS A 77 6.387 12.143 6.157 1.00 51.23 N ATOM 0 H LYS A 77 4.676 10.618 1.547 1.00 51.44 H new ATOM 0 HA LYS A 77 6.836 9.961 3.283 1.00 53.40 H new ATOM 0 HB2 LYS A 77 4.372 8.357 2.492 1.00 50.35 H new ATOM 0 HB3 LYS A 77 5.407 8.021 3.866 1.00 50.35 H new ATOM 0 HG2 LYS A 77 3.752 10.554 3.517 1.00 5.23 H new ATOM 0 HG3 LYS A 77 3.277 9.170 4.482 1.00 5.23 H new ATOM 0 HD2 LYS A 77 4.190 10.506 6.137 1.00 53.40 H new ATOM 0 HD3 LYS A 77 5.608 9.576 5.692 1.00 53.40 H new ATOM 0 HE2 LYS A 77 6.330 11.426 4.169 1.00 54.41 H new ATOM 0 HE3 LYS A 77 4.924 12.357 4.646 1.00 54.41 H new ATOM 0 HZ1 LYS A 77 6.875 13.020 5.884 1.00 51.23 H new ATOM 0 HZ2 LYS A 77 5.724 12.343 6.933 1.00 51.23 H new ATOM 0 HZ3 LYS A 77 7.087 11.441 6.471 1.00 51.23 H new ATOM 1243 N LEU A 78 6.441 8.116 0.558 1.00 63.14 N ATOM 1244 CA LEU A 78 7.084 7.143 -0.338 1.00 30.11 C ATOM 1245 C LEU A 78 8.413 7.676 -0.905 1.00 71.54 C ATOM 1246 O LEU A 78 9.439 6.994 -0.850 1.00 63.24 O ATOM 1247 CB LEU A 78 6.123 6.784 -1.481 1.00 55.31 C ATOM 1248 CG LEU A 78 4.801 6.132 -1.040 1.00 72.40 C ATOM 1249 CD1 LEU A 78 3.870 5.936 -2.232 1.00 52.53 C ATOM 1250 CD2 LEU A 78 5.064 4.803 -0.333 1.00 51.03 C ATOM 0 H LEU A 78 5.551 8.474 0.210 1.00 63.14 H new ATOM 0 HA LEU A 78 7.315 6.250 0.243 1.00 30.11 H new ATOM 0 HB2 LEU A 78 5.894 7.691 -2.041 1.00 55.31 H new ATOM 0 HB3 LEU A 78 6.634 6.107 -2.166 1.00 55.31 H new ATOM 0 HG LEU A 78 4.310 6.802 -0.334 1.00 72.40 H new ATOM 0 HD11 LEU A 78 2.942 5.474 -1.896 1.00 52.53 H new ATOM 0 HD12 LEU A 78 3.651 6.903 -2.685 1.00 52.53 H new ATOM 0 HD13 LEU A 78 4.351 5.291 -2.967 1.00 52.53 H new ATOM 0 HD21 LEU A 78 4.116 4.359 -0.029 1.00 51.03 H new ATOM 0 HD22 LEU A 78 5.581 4.126 -1.012 1.00 51.03 H new ATOM 0 HD23 LEU A 78 5.682 4.976 0.548 1.00 51.03 H new ATOM 1262 N GLU A 79 8.389 8.890 -1.453 1.00 43.04 N ATOM 1263 CA GLU A 79 9.606 9.552 -1.941 1.00 10.41 C ATOM 1264 C GLU A 79 10.695 9.579 -0.855 1.00 11.34 C ATOM 1265 O GLU A 79 11.876 9.372 -1.138 1.00 23.21 O ATOM 1266 CB GLU A 79 9.291 10.987 -2.394 1.00 64.15 C ATOM 1267 CG GLU A 79 8.462 11.081 -3.677 1.00 71.31 C ATOM 1268 CD GLU A 79 9.216 10.635 -4.925 1.00 25.35 C ATOM 1269 OE1 GLU A 79 10.470 10.636 -4.913 1.00 13.22 O ATOM 1270 OE2 GLU A 79 8.557 10.311 -5.935 1.00 31.34 O ATOM 0 H GLU A 79 7.538 9.440 -1.572 1.00 43.04 H new ATOM 0 HA GLU A 79 9.978 8.980 -2.791 1.00 10.41 H new ATOM 0 HB2 GLU A 79 8.757 11.498 -1.593 1.00 64.15 H new ATOM 0 HB3 GLU A 79 10.229 11.522 -2.543 1.00 64.15 H new ATOM 0 HG2 GLU A 79 7.566 10.470 -3.566 1.00 71.31 H new ATOM 0 HG3 GLU A 79 8.131 12.111 -3.811 1.00 71.31 H new ATOM 1277 N ALA A 80 10.282 9.820 0.388 1.00 12.44 N ATOM 1278 CA ALA A 80 11.204 9.815 1.530 1.00 42.22 C ATOM 1279 C ALA A 80 11.879 8.443 1.709 1.00 62.02 C ATOM 1280 O ALA A 80 13.012 8.354 2.188 1.00 53.13 O ATOM 1281 CB ALA A 80 10.466 10.215 2.802 1.00 70.04 C ATOM 0 H ALA A 80 9.313 10.022 0.634 1.00 12.44 H new ATOM 0 HA ALA A 80 11.989 10.544 1.329 1.00 42.22 H new ATOM 0 HB1 ALA A 80 11.160 10.208 3.643 1.00 70.04 H new ATOM 0 HB2 ALA A 80 10.051 11.216 2.682 1.00 70.04 H new ATOM 0 HB3 ALA A 80 9.659 9.508 2.992 1.00 70.04 H new ATOM 1287 N GLU A 81 11.176 7.374 1.328 1.00 54.24 N ATOM 1288 CA GLU A 81 11.737 6.018 1.380 1.00 53.44 C ATOM 1289 C GLU A 81 12.544 5.701 0.109 1.00 1.32 C ATOM 1290 O GLU A 81 13.306 4.736 0.069 1.00 50.22 O ATOM 1291 CB GLU A 81 10.620 4.976 1.560 1.00 21.41 C ATOM 1292 CG GLU A 81 9.668 5.284 2.713 1.00 62.31 C ATOM 1293 CD GLU A 81 8.813 4.089 3.118 1.00 43.44 C ATOM 1294 OE1 GLU A 81 8.038 3.586 2.284 1.00 32.40 O ATOM 1295 OE2 GLU A 81 8.934 3.640 4.277 1.00 40.44 O ATOM 0 H GLU A 81 10.218 7.419 0.980 1.00 54.24 H new ATOM 0 HA GLU A 81 12.409 5.972 2.237 1.00 53.44 H new ATOM 0 HB2 GLU A 81 10.046 4.909 0.636 1.00 21.41 H new ATOM 0 HB3 GLU A 81 11.072 3.998 1.726 1.00 21.41 H new ATOM 0 HG2 GLU A 81 10.246 5.618 3.574 1.00 62.31 H new ATOM 0 HG3 GLU A 81 9.016 6.109 2.427 1.00 62.31 H new ATOM 1302 N GLY A 82 12.371 6.529 -0.924 1.00 71.40 N ATOM 1303 CA GLY A 82 13.068 6.326 -2.193 1.00 0.21 C ATOM 1304 C GLY A 82 12.175 5.722 -3.275 1.00 2.54 C ATOM 1305 O GLY A 82 12.667 5.195 -4.276 1.00 11.23 O ATOM 0 H GLY A 82 11.756 7.343 -0.906 1.00 71.40 H new ATOM 0 HA2 GLY A 82 13.458 7.281 -2.544 1.00 0.21 H new ATOM 0 HA3 GLY A 82 13.925 5.672 -2.030 1.00 0.21 H new ATOM 1309 N ILE A 83 10.860 5.796 -3.074 1.00 44.22 N ATOM 1310 CA ILE A 83 9.891 5.234 -4.022 1.00 12.01 C ATOM 1311 C ILE A 83 9.426 6.281 -5.055 1.00 43.43 C ATOM 1312 O ILE A 83 8.793 7.277 -4.709 1.00 12.34 O ATOM 1313 CB ILE A 83 8.663 4.656 -3.275 1.00 2.24 C ATOM 1314 CG1 ILE A 83 9.116 3.564 -2.285 1.00 53.25 C ATOM 1315 CG2 ILE A 83 7.628 4.105 -4.262 1.00 43.40 C ATOM 1316 CD1 ILE A 83 7.991 2.964 -1.470 1.00 52.20 C ATOM 0 H ILE A 83 10.437 6.241 -2.260 1.00 44.22 H new ATOM 0 HA ILE A 83 10.397 4.430 -4.557 1.00 12.01 H new ATOM 0 HB ILE A 83 8.187 5.460 -2.714 1.00 2.24 H new ATOM 0 HG12 ILE A 83 9.612 2.768 -2.841 1.00 53.25 H new ATOM 0 HG13 ILE A 83 9.856 3.988 -1.606 1.00 53.25 H new ATOM 0 HG21 ILE A 83 6.777 3.705 -3.711 1.00 43.40 H new ATOM 0 HG22 ILE A 83 7.291 4.906 -4.920 1.00 43.40 H new ATOM 0 HG23 ILE A 83 8.079 3.311 -4.857 1.00 43.40 H new ATOM 0 HD11 ILE A 83 8.393 2.205 -0.799 1.00 52.20 H new ATOM 0 HD12 ILE A 83 7.508 3.747 -0.885 1.00 52.20 H new ATOM 0 HD13 ILE A 83 7.261 2.508 -2.138 1.00 52.20 H new ATOM 1328 N GLU A 84 9.751 6.030 -6.321 1.00 22.13 N ATOM 1329 CA GLU A 84 9.389 6.917 -7.432 1.00 3.13 C ATOM 1330 C GLU A 84 7.871 6.947 -7.691 1.00 42.54 C ATOM 1331 O GLU A 84 7.299 5.992 -8.226 1.00 41.32 O ATOM 1332 CB GLU A 84 10.131 6.454 -8.696 1.00 3.14 C ATOM 1333 CG GLU A 84 9.781 7.220 -9.970 1.00 1.45 C ATOM 1334 CD GLU A 84 10.495 6.663 -11.194 1.00 22.52 C ATOM 1335 OE1 GLU A 84 10.142 5.552 -11.643 1.00 20.21 O ATOM 1336 OE2 GLU A 84 11.428 7.320 -11.707 1.00 24.21 O ATOM 0 H GLU A 84 10.275 5.204 -6.610 1.00 22.13 H new ATOM 0 HA GLU A 84 9.682 7.932 -7.165 1.00 3.13 H new ATOM 0 HB2 GLU A 84 11.203 6.541 -8.521 1.00 3.14 H new ATOM 0 HB3 GLU A 84 9.919 5.397 -8.856 1.00 3.14 H new ATOM 0 HG2 GLU A 84 8.704 7.180 -10.131 1.00 1.45 H new ATOM 0 HG3 GLU A 84 10.046 8.270 -9.844 1.00 1.45 H new ATOM 1343 N VAL A 85 7.224 8.042 -7.296 1.00 71.44 N ATOM 1344 CA VAL A 85 5.804 8.256 -7.601 1.00 1.40 C ATOM 1345 C VAL A 85 5.637 9.244 -8.765 1.00 60.10 C ATOM 1346 O VAL A 85 6.242 10.320 -8.769 1.00 54.04 O ATOM 1347 CB VAL A 85 5.016 8.813 -6.384 1.00 4.41 C ATOM 1348 CG1 VAL A 85 3.509 8.765 -6.644 1.00 34.35 C ATOM 1349 CG2 VAL A 85 5.368 8.070 -5.101 1.00 71.10 C ATOM 0 H VAL A 85 7.657 8.797 -6.764 1.00 71.44 H new ATOM 0 HA VAL A 85 5.403 7.278 -7.868 1.00 1.40 H new ATOM 0 HB VAL A 85 5.309 9.855 -6.252 1.00 4.41 H new ATOM 0 HG11 VAL A 85 2.978 9.160 -5.778 1.00 34.35 H new ATOM 0 HG12 VAL A 85 3.272 9.367 -7.521 1.00 34.35 H new ATOM 0 HG13 VAL A 85 3.203 7.734 -6.818 1.00 34.35 H new ATOM 0 HG21 VAL A 85 4.798 8.487 -4.271 1.00 71.10 H new ATOM 0 HG22 VAL A 85 5.125 7.014 -5.214 1.00 71.10 H new ATOM 0 HG23 VAL A 85 6.434 8.177 -4.899 1.00 71.10 H new ATOM 1359 N SER A 86 4.818 8.884 -9.750 1.00 75.23 N ATOM 1360 CA SER A 86 4.491 9.802 -10.850 1.00 5.12 C ATOM 1361 C SER A 86 3.530 10.899 -10.366 1.00 63.41 C ATOM 1362 O SER A 86 2.673 10.648 -9.516 1.00 44.43 O ATOM 1363 CB SER A 86 3.863 9.050 -12.034 1.00 71.13 C ATOM 1364 OG SER A 86 4.745 8.066 -12.557 1.00 22.20 O ATOM 0 H SER A 86 4.369 7.971 -9.814 1.00 75.23 H new ATOM 0 HA SER A 86 5.421 10.261 -11.186 1.00 5.12 H new ATOM 0 HB2 SER A 86 2.936 8.575 -11.713 1.00 71.13 H new ATOM 0 HB3 SER A 86 3.602 9.760 -12.819 1.00 71.13 H new ATOM 0 HG SER A 86 4.650 7.236 -12.045 1.00 22.20 H new ATOM 1370 N GLU A 87 3.671 12.094 -10.937 1.00 1.14 N ATOM 1371 CA GLU A 87 2.906 13.292 -10.538 1.00 44.11 C ATOM 1372 C GLU A 87 1.429 13.003 -10.186 1.00 50.02 C ATOM 1373 O GLU A 87 0.925 13.479 -9.169 1.00 33.44 O ATOM 1374 CB GLU A 87 2.977 14.327 -11.670 1.00 10.33 C ATOM 1375 CG GLU A 87 2.488 13.793 -13.016 1.00 52.24 C ATOM 1376 CD GLU A 87 2.572 14.821 -14.128 1.00 4.13 C ATOM 1377 OE1 GLU A 87 1.639 15.641 -14.255 1.00 31.34 O ATOM 1378 OE2 GLU A 87 3.570 14.815 -14.882 1.00 2.40 O ATOM 0 H GLU A 87 4.326 12.268 -11.700 1.00 1.14 H new ATOM 0 HA GLU A 87 3.364 13.672 -9.625 1.00 44.11 H new ATOM 0 HB2 GLU A 87 2.380 15.196 -11.395 1.00 10.33 H new ATOM 0 HB3 GLU A 87 4.007 14.668 -11.776 1.00 10.33 H new ATOM 0 HG2 GLU A 87 3.080 12.920 -13.291 1.00 52.24 H new ATOM 0 HG3 GLU A 87 1.455 13.459 -12.915 1.00 52.24 H new ATOM 1385 N ILE A 88 0.748 12.213 -11.014 1.00 61.25 N ATOM 1386 CA ILE A 88 -0.686 11.932 -10.825 1.00 70.23 C ATOM 1387 C ILE A 88 -0.936 10.825 -9.777 1.00 5.14 C ATOM 1388 O ILE A 88 -2.000 10.205 -9.758 1.00 0.05 O ATOM 1389 CB ILE A 88 -1.349 11.521 -12.168 1.00 21.40 C ATOM 1390 CG1 ILE A 88 -0.686 10.252 -12.735 1.00 74.32 C ATOM 1391 CG2 ILE A 88 -1.268 12.669 -13.177 1.00 34.30 C ATOM 1392 CD1 ILE A 88 -1.307 9.752 -14.023 1.00 72.33 C ATOM 0 H ILE A 88 1.161 11.753 -11.825 1.00 61.25 H new ATOM 0 HA ILE A 88 -1.135 12.855 -10.458 1.00 70.23 H new ATOM 0 HB ILE A 88 -2.400 11.301 -11.980 1.00 21.40 H new ATOM 0 HG12 ILE A 88 0.371 10.454 -12.908 1.00 74.32 H new ATOM 0 HG13 ILE A 88 -0.741 9.461 -11.987 1.00 74.32 H new ATOM 0 HG21 ILE A 88 -1.737 12.365 -14.113 1.00 34.30 H new ATOM 0 HG22 ILE A 88 -1.786 13.541 -12.778 1.00 34.30 H new ATOM 0 HG23 ILE A 88 -0.223 12.920 -13.360 1.00 34.30 H new ATOM 0 HD11 ILE A 88 -0.783 8.856 -14.356 1.00 72.33 H new ATOM 0 HD12 ILE A 88 -2.357 9.516 -13.853 1.00 72.33 H new ATOM 0 HD13 ILE A 88 -1.228 10.524 -14.789 1.00 72.33 H new ATOM 1404 N GLY A 89 0.036 10.600 -8.894 1.00 31.04 N ATOM 1405 CA GLY A 89 -0.087 9.548 -7.889 1.00 54.30 C ATOM 1406 C GLY A 89 0.024 8.149 -8.489 1.00 22.14 C ATOM 1407 O GLY A 89 -0.550 7.191 -7.973 1.00 10.21 O ATOM 0 H GLY A 89 0.909 11.127 -8.854 1.00 31.04 H new ATOM 0 HA2 GLY A 89 0.689 9.679 -7.135 1.00 54.30 H new ATOM 0 HA3 GLY A 89 -1.046 9.646 -7.380 1.00 54.30 H new ATOM 1411 N LYS A 90 0.784 8.036 -9.575 1.00 32.15 N ATOM 1412 CA LYS A 90 0.917 6.769 -10.311 1.00 13.22 C ATOM 1413 C LYS A 90 2.248 6.066 -9.990 1.00 43.33 C ATOM 1414 O LYS A 90 3.323 6.577 -10.308 1.00 20.41 O ATOM 1415 CB LYS A 90 0.818 7.043 -11.819 1.00 63.12 C ATOM 1416 CG LYS A 90 0.911 5.797 -12.697 1.00 35.25 C ATOM 1417 CD LYS A 90 0.964 6.159 -14.180 1.00 30.12 C ATOM 1418 CE LYS A 90 1.043 4.919 -15.064 1.00 42.14 C ATOM 1419 NZ LYS A 90 -0.187 4.089 -14.970 1.00 35.10 N ATOM 0 H LYS A 90 1.322 8.807 -9.971 1.00 32.15 H new ATOM 0 HA LYS A 90 0.109 6.106 -10.000 1.00 13.22 H new ATOM 0 HB2 LYS A 90 -0.127 7.546 -12.023 1.00 63.12 H new ATOM 0 HB3 LYS A 90 1.613 7.732 -12.103 1.00 63.12 H new ATOM 0 HG2 LYS A 90 1.801 5.227 -12.429 1.00 35.25 H new ATOM 0 HG3 LYS A 90 0.052 5.153 -12.509 1.00 35.25 H new ATOM 0 HD2 LYS A 90 0.079 6.738 -14.444 1.00 30.12 H new ATOM 0 HD3 LYS A 90 1.829 6.795 -14.368 1.00 30.12 H new ATOM 0 HE2 LYS A 90 1.198 5.221 -16.100 1.00 42.14 H new ATOM 0 HE3 LYS A 90 1.907 4.321 -14.774 1.00 42.14 H new ATOM 0 HZ1 LYS A 90 -0.167 3.354 -15.705 1.00 35.10 H new ATOM 0 HZ2 LYS A 90 -0.232 3.641 -14.033 1.00 35.10 H new ATOM 0 HZ3 LYS A 90 -1.024 4.692 -15.106 1.00 35.10 H new ATOM 1433 N ILE A 91 2.172 4.892 -9.366 1.00 15.14 N ATOM 1434 CA ILE A 91 3.375 4.128 -8.998 1.00 30.04 C ATOM 1435 C ILE A 91 3.616 2.961 -9.968 1.00 72.31 C ATOM 1436 O ILE A 91 2.704 2.188 -10.265 1.00 13.02 O ATOM 1437 CB ILE A 91 3.271 3.572 -7.556 1.00 4.25 C ATOM 1438 CG1 ILE A 91 3.071 4.720 -6.555 1.00 25.11 C ATOM 1439 CG2 ILE A 91 4.515 2.752 -7.200 1.00 0.44 C ATOM 1440 CD1 ILE A 91 2.874 4.260 -5.127 1.00 35.35 C ATOM 0 H ILE A 91 1.294 4.445 -9.103 1.00 15.14 H new ATOM 0 HA ILE A 91 4.215 4.820 -9.055 1.00 30.04 H new ATOM 0 HB ILE A 91 2.405 2.912 -7.502 1.00 4.25 H new ATOM 0 HG12 ILE A 91 3.937 5.381 -6.597 1.00 25.11 H new ATOM 0 HG13 ILE A 91 2.205 5.308 -6.860 1.00 25.11 H new ATOM 0 HG21 ILE A 91 4.421 2.371 -6.183 1.00 0.44 H new ATOM 0 HG22 ILE A 91 4.611 1.916 -7.893 1.00 0.44 H new ATOM 0 HG23 ILE A 91 5.400 3.384 -7.270 1.00 0.44 H new ATOM 0 HD11 ILE A 91 2.740 5.127 -4.481 1.00 35.35 H new ATOM 0 HD12 ILE A 91 1.991 3.623 -5.068 1.00 35.35 H new ATOM 0 HD13 ILE A 91 3.749 3.697 -4.802 1.00 35.35 H new ATOM 1452 N ALA A 92 4.846 2.836 -10.459 1.00 52.42 N ATOM 1453 CA ALA A 92 5.205 1.749 -11.372 1.00 32.10 C ATOM 1454 C ALA A 92 5.427 0.425 -10.620 1.00 23.42 C ATOM 1455 O ALA A 92 6.521 0.154 -10.112 1.00 24.10 O ATOM 1456 CB ALA A 92 6.444 2.119 -12.176 1.00 15.12 C ATOM 0 H ALA A 92 5.613 3.473 -10.241 1.00 52.42 H new ATOM 0 HA ALA A 92 4.370 1.603 -12.057 1.00 32.10 H new ATOM 0 HB1 ALA A 92 6.698 1.301 -12.850 1.00 15.12 H new ATOM 0 HB2 ALA A 92 6.245 3.019 -12.757 1.00 15.12 H new ATOM 0 HB3 ALA A 92 7.277 2.302 -11.497 1.00 15.12 H new ATOM 1462 N LEU A 93 4.380 -0.398 -10.555 1.00 71.21 N ATOM 1463 CA LEU A 93 4.447 -1.695 -9.868 1.00 31.14 C ATOM 1464 C LEU A 93 5.539 -2.595 -10.465 1.00 74.24 C ATOM 1465 O LEU A 93 6.152 -3.388 -9.757 1.00 61.25 O ATOM 1466 CB LEU A 93 3.087 -2.408 -9.935 1.00 1.11 C ATOM 1467 CG LEU A 93 1.942 -1.710 -9.185 1.00 55.51 C ATOM 1468 CD1 LEU A 93 0.631 -2.473 -9.366 1.00 4.20 C ATOM 1469 CD2 LEU A 93 2.283 -1.566 -7.701 1.00 11.20 C ATOM 0 H LEU A 93 3.471 -0.192 -10.970 1.00 71.21 H new ATOM 0 HA LEU A 93 4.701 -1.501 -8.826 1.00 31.14 H new ATOM 0 HB2 LEU A 93 2.802 -2.514 -10.982 1.00 1.11 H new ATOM 0 HB3 LEU A 93 3.203 -3.414 -9.533 1.00 1.11 H new ATOM 0 HG LEU A 93 1.814 -0.713 -9.607 1.00 55.51 H new ATOM 0 HD11 LEU A 93 -0.166 -1.961 -8.826 1.00 4.20 H new ATOM 0 HD12 LEU A 93 0.380 -2.519 -10.426 1.00 4.20 H new ATOM 0 HD13 LEU A 93 0.742 -3.484 -8.975 1.00 4.20 H new ATOM 0 HD21 LEU A 93 1.461 -1.070 -7.185 1.00 11.20 H new ATOM 0 HD22 LEU A 93 2.441 -2.553 -7.266 1.00 11.20 H new ATOM 0 HD23 LEU A 93 3.191 -0.973 -7.592 1.00 11.20 H new ATOM 1481 N ARG A 94 5.790 -2.449 -11.763 1.00 63.44 N ATOM 1482 CA ARG A 94 6.811 -3.249 -12.456 1.00 71.41 C ATOM 1483 C ARG A 94 8.191 -3.147 -11.779 1.00 73.44 C ATOM 1484 O ARG A 94 8.981 -4.090 -11.819 1.00 14.02 O ATOM 1485 CB ARG A 94 6.920 -2.805 -13.924 1.00 3.44 C ATOM 1486 CG ARG A 94 7.314 -1.338 -14.095 1.00 31.41 C ATOM 1487 CD ARG A 94 7.483 -0.957 -15.561 1.00 11.11 C ATOM 1488 NE ARG A 94 8.535 -1.734 -16.212 1.00 13.10 N ATOM 1489 CZ ARG A 94 9.202 -1.330 -17.258 1.00 71.33 C ATOM 1490 NH1 ARG A 94 8.992 -0.157 -17.762 1.00 42.31 N ATOM 1491 NH2 ARG A 94 10.092 -2.102 -17.787 1.00 21.52 N ATOM 0 H ARG A 94 5.302 -1.784 -12.363 1.00 63.44 H new ATOM 0 HA ARG A 94 6.495 -4.291 -12.405 1.00 71.41 H new ATOM 0 HB2 ARG A 94 7.655 -3.431 -14.430 1.00 3.44 H new ATOM 0 HB3 ARG A 94 5.963 -2.975 -14.418 1.00 3.44 H new ATOM 0 HG2 ARG A 94 6.553 -0.703 -13.641 1.00 31.41 H new ATOM 0 HG3 ARG A 94 8.246 -1.149 -13.562 1.00 31.41 H new ATOM 0 HD2 ARG A 94 6.541 -1.112 -16.086 1.00 11.11 H new ATOM 0 HD3 ARG A 94 7.719 0.105 -15.635 1.00 11.11 H new ATOM 0 HE ARG A 94 8.762 -2.650 -15.824 1.00 13.10 H new ATOM 0 HH11 ARG A 94 8.299 0.462 -17.341 1.00 42.31 H new ATOM 0 HH12 ARG A 94 9.519 0.148 -18.580 1.00 42.31 H new ATOM 0 HH21 ARG A 94 10.271 -3.023 -17.387 1.00 21.52 H new ATOM 0 HH22 ARG A 94 10.616 -1.791 -18.605 1.00 21.52 H new ATOM 1505 N LYS A 95 8.477 -1.995 -11.170 1.00 14.45 N ATOM 1506 CA LYS A 95 9.776 -1.764 -10.519 1.00 52.50 C ATOM 1507 C LYS A 95 9.652 -1.616 -8.989 1.00 32.32 C ATOM 1508 O LYS A 95 10.662 -1.517 -8.289 1.00 4.43 O ATOM 1509 CB LYS A 95 10.450 -0.524 -11.127 1.00 74.43 C ATOM 1510 CG LYS A 95 9.597 0.739 -11.051 1.00 2.30 C ATOM 1511 CD LYS A 95 10.268 1.936 -11.724 1.00 41.55 C ATOM 1512 CE LYS A 95 11.580 2.317 -11.051 1.00 14.22 C ATOM 1513 NZ LYS A 95 12.192 3.518 -11.673 1.00 75.42 N ATOM 0 H LYS A 95 7.832 -1.207 -11.112 1.00 14.45 H new ATOM 0 HA LYS A 95 10.394 -2.643 -10.700 1.00 52.50 H new ATOM 0 HB2 LYS A 95 11.394 -0.345 -10.612 1.00 74.43 H new ATOM 0 HB3 LYS A 95 10.690 -0.727 -12.171 1.00 74.43 H new ATOM 0 HG2 LYS A 95 8.633 0.552 -11.525 1.00 2.30 H new ATOM 0 HG3 LYS A 95 9.398 0.977 -10.006 1.00 2.30 H new ATOM 0 HD2 LYS A 95 10.454 1.703 -12.772 1.00 41.55 H new ATOM 0 HD3 LYS A 95 9.590 2.789 -11.703 1.00 41.55 H new ATOM 0 HE2 LYS A 95 11.403 2.506 -9.992 1.00 14.22 H new ATOM 0 HE3 LYS A 95 12.276 1.481 -11.113 1.00 14.22 H new ATOM 0 HZ1 LYS A 95 13.028 3.805 -11.125 1.00 75.42 H new ATOM 0 HZ2 LYS A 95 12.477 3.297 -12.648 1.00 75.42 H new ATOM 0 HZ3 LYS A 95 11.500 4.295 -11.682 1.00 75.42 H new ATOM 1527 N TYR A 96 8.421 -1.576 -8.464 1.00 64.24 N ATOM 1528 CA TYR A 96 8.214 -1.471 -7.005 1.00 12.13 C ATOM 1529 C TYR A 96 7.297 -2.559 -6.427 1.00 52.21 C ATOM 1530 O TYR A 96 6.854 -2.450 -5.284 1.00 52.12 O ATOM 1531 CB TYR A 96 7.665 -0.088 -6.643 1.00 34.42 C ATOM 1532 CG TYR A 96 8.685 1.014 -6.818 1.00 61.35 C ATOM 1533 CD1 TYR A 96 9.713 1.177 -5.897 1.00 73.51 C ATOM 1534 CD2 TYR A 96 8.634 1.878 -7.904 1.00 43.03 C ATOM 1535 CE1 TYR A 96 10.657 2.167 -6.051 1.00 65.45 C ATOM 1536 CE2 TYR A 96 9.577 2.874 -8.064 1.00 44.31 C ATOM 1537 CZ TYR A 96 10.587 3.012 -7.134 1.00 70.34 C ATOM 1538 OH TYR A 96 11.531 3.999 -7.290 1.00 33.13 O ATOM 0 H TYR A 96 7.562 -1.614 -9.013 1.00 64.24 H new ATOM 0 HA TYR A 96 9.195 -1.620 -6.554 1.00 12.13 H new ATOM 0 HB2 TYR A 96 6.796 0.126 -7.265 1.00 34.42 H new ATOM 0 HB3 TYR A 96 7.322 -0.098 -5.608 1.00 34.42 H new ATOM 0 HD1 TYR A 96 9.772 0.515 -5.046 1.00 73.51 H new ATOM 0 HD2 TYR A 96 7.845 1.769 -8.634 1.00 43.03 H new ATOM 0 HE1 TYR A 96 11.449 2.280 -5.325 1.00 65.45 H new ATOM 0 HE2 TYR A 96 9.524 3.541 -8.912 1.00 44.31 H new ATOM 0 HH TYR A 96 11.660 4.181 -8.244 1.00 33.13 H new ATOM 1548 N LYS A 97 7.024 -3.612 -7.188 1.00 5.05 N ATOM 1549 CA LYS A 97 6.198 -4.713 -6.682 1.00 63.14 C ATOM 1550 C LYS A 97 6.923 -5.484 -5.567 1.00 3.52 C ATOM 1551 O LYS A 97 8.067 -5.921 -5.734 1.00 61.41 O ATOM 1552 CB LYS A 97 5.807 -5.678 -7.813 1.00 40.44 C ATOM 1553 CG LYS A 97 7.000 -6.336 -8.508 1.00 32.33 C ATOM 1554 CD LYS A 97 6.562 -7.358 -9.556 1.00 15.21 C ATOM 1555 CE LYS A 97 5.721 -6.719 -10.658 1.00 72.24 C ATOM 1556 NZ LYS A 97 5.303 -7.715 -11.678 1.00 75.33 N ATOM 0 H LYS A 97 7.355 -3.731 -8.145 1.00 5.05 H new ATOM 0 HA LYS A 97 5.290 -4.273 -6.269 1.00 63.14 H new ATOM 0 HB2 LYS A 97 5.162 -6.457 -7.406 1.00 40.44 H new ATOM 0 HB3 LYS A 97 5.222 -5.134 -8.555 1.00 40.44 H new ATOM 0 HG2 LYS A 97 7.611 -5.568 -8.984 1.00 32.33 H new ATOM 0 HG3 LYS A 97 7.627 -6.827 -7.764 1.00 32.33 H new ATOM 0 HD2 LYS A 97 7.442 -7.826 -9.997 1.00 15.21 H new ATOM 0 HD3 LYS A 97 5.988 -8.149 -9.074 1.00 15.21 H new ATOM 0 HE2 LYS A 97 4.838 -6.255 -10.219 1.00 72.24 H new ATOM 0 HE3 LYS A 97 6.293 -5.925 -11.138 1.00 72.24 H new ATOM 0 HZ1 LYS A 97 4.734 -7.244 -12.410 1.00 75.33 H new ATOM 0 HZ2 LYS A 97 6.146 -8.139 -12.115 1.00 75.33 H new ATOM 0 HZ3 LYS A 97 4.736 -8.460 -11.224 1.00 75.33 H new ATOM 1570 N TRP A 98 6.263 -5.631 -4.426 1.00 2.11 N ATOM 1571 CA TRP A 98 6.818 -6.398 -3.310 1.00 33.31 C ATOM 1572 C TRP A 98 7.131 -7.846 -3.721 1.00 73.24 C ATOM 1573 O TRP A 98 6.259 -8.579 -4.189 1.00 43.12 O ATOM 1574 CB TRP A 98 5.855 -6.378 -2.114 1.00 31.53 C ATOM 1575 CG TRP A 98 6.320 -7.198 -0.941 1.00 55.41 C ATOM 1576 CD1 TRP A 98 7.607 -7.385 -0.523 1.00 63.14 C ATOM 1577 CD2 TRP A 98 5.495 -7.934 -0.032 1.00 64.13 C ATOM 1578 NE1 TRP A 98 7.632 -8.196 0.584 1.00 54.24 N ATOM 1579 CE2 TRP A 98 6.348 -8.544 0.907 1.00 65.23 C ATOM 1580 CE3 TRP A 98 4.117 -8.138 0.078 1.00 13.32 C ATOM 1581 CZ2 TRP A 98 5.866 -9.342 1.942 1.00 34.03 C ATOM 1582 CZ3 TRP A 98 3.641 -8.924 1.106 1.00 4.25 C ATOM 1583 CH2 TRP A 98 4.513 -9.522 2.025 1.00 2.44 C ATOM 0 H TRP A 98 5.342 -5.231 -4.245 1.00 2.11 H new ATOM 0 HA TRP A 98 7.755 -5.925 -3.017 1.00 33.31 H new ATOM 0 HB2 TRP A 98 5.715 -5.347 -1.791 1.00 31.53 H new ATOM 0 HB3 TRP A 98 4.881 -6.746 -2.438 1.00 31.53 H new ATOM 0 HD1 TRP A 98 8.479 -6.957 -0.995 1.00 63.14 H new ATOM 0 HE1 TRP A 98 8.470 -8.491 1.084 1.00 54.24 H new ATOM 0 HE3 TRP A 98 3.437 -7.688 -0.630 1.00 13.32 H new ATOM 0 HZ2 TRP A 98 6.536 -9.802 2.653 1.00 34.03 H new ATOM 0 HZ3 TRP A 98 2.577 -9.081 1.204 1.00 4.25 H new ATOM 0 HH2 TRP A 98 4.109 -10.138 2.815 1.00 2.44 H new ATOM 1594 N GLN A 99 8.387 -8.243 -3.538 1.00 42.32 N ATOM 1595 CA GLN A 99 8.842 -9.593 -3.878 1.00 52.41 C ATOM 1596 C GLN A 99 9.087 -10.417 -2.600 1.00 24.00 C ATOM 1597 O GLN A 99 10.183 -10.398 -2.040 1.00 4.33 O ATOM 1598 CB GLN A 99 10.122 -9.504 -4.727 1.00 12.24 C ATOM 1599 CG GLN A 99 10.604 -10.831 -5.309 1.00 15.14 C ATOM 1600 CD GLN A 99 11.820 -10.656 -6.209 1.00 73.10 C ATOM 1601 OE1 GLN A 99 12.000 -9.614 -6.830 1.00 0.12 O ATOM 1602 NE2 GLN A 99 12.653 -11.671 -6.300 1.00 71.15 N ATOM 0 H GLN A 99 9.117 -7.644 -3.152 1.00 42.32 H new ATOM 0 HA GLN A 99 8.069 -10.098 -4.457 1.00 52.41 H new ATOM 0 HB2 GLN A 99 9.949 -8.807 -5.547 1.00 12.24 H new ATOM 0 HB3 GLN A 99 10.918 -9.083 -4.113 1.00 12.24 H new ATOM 0 HG2 GLN A 99 10.851 -11.514 -4.496 1.00 15.14 H new ATOM 0 HG3 GLN A 99 9.796 -11.291 -5.878 1.00 15.14 H new ATOM 0 HE21 GLN A 99 12.476 -12.525 -5.771 1.00 71.15 H new ATOM 0 HE22 GLN A 99 13.475 -11.604 -6.900 1.00 71.15 H new ATOM 1611 N PRO A 100 8.059 -11.154 -2.117 1.00 31.41 N ATOM 1612 CA PRO A 100 8.134 -11.914 -0.856 1.00 73.42 C ATOM 1613 C PRO A 100 8.833 -13.272 -1.013 1.00 50.51 C ATOM 1614 O PRO A 100 8.700 -14.152 -0.160 1.00 54.42 O ATOM 1615 CB PRO A 100 6.649 -12.116 -0.467 1.00 3.24 C ATOM 1616 CG PRO A 100 5.835 -11.464 -1.549 1.00 35.14 C ATOM 1617 CD PRO A 100 6.741 -11.317 -2.742 1.00 22.13 C ATOM 0 HA PRO A 100 8.722 -11.384 -0.107 1.00 73.42 H new ATOM 0 HB2 PRO A 100 6.409 -13.176 -0.386 1.00 3.24 H new ATOM 0 HB3 PRO A 100 6.437 -11.666 0.503 1.00 3.24 H new ATOM 0 HG2 PRO A 100 4.964 -12.071 -1.797 1.00 35.14 H new ATOM 0 HG3 PRO A 100 5.464 -10.492 -1.222 1.00 35.14 H new ATOM 0 HD2 PRO A 100 6.704 -12.192 -3.391 1.00 22.13 H new ATOM 0 HD3 PRO A 100 6.472 -10.456 -3.353 1.00 22.13 H new