USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 0 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 60 TYR OH : rot 180:sc= 0.957 USER MOD Set 1.2: A 81 TYR OH : rot -100:sc= 0.82 USER MOD Set 2.1: A 34 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.0148) USER MOD Set 2.2: A 86 TYR OH : rot 165:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 9 THR OG1 : rot 64:sc= 0.385 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.32 X(o=-0.32,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc=-0.00176 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -135:sc= -1.17 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.44 K(o=-0.44,f=-1.3) USER MOD Single : A 82 LYS NZ :NH3+ 151:sc= 0.0635 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.385 X(o=-0.38,f=0) USER MOD Single : A 96 LYS NZ :NH3+ -120:sc= -0.0833 (180deg=-2.42!) USER MOD Single : A 101 LYS NZ :NH3+ -174:sc= 0.0178 (180deg=0.0128) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 34 N ASN A 5 12.888 4.040 -9.848 1.00 0.00 N ATOM 35 CA ASN A 5 12.715 4.253 -8.377 1.00 0.00 C ATOM 36 C ASN A 5 11.773 3.203 -7.716 1.00 0.00 C ATOM 37 O ASN A 5 10.777 3.503 -7.053 1.00 0.00 O ATOM 38 CB ASN A 5 12.360 5.730 -8.101 1.00 0.00 C ATOM 39 CG ASN A 5 10.985 6.277 -8.559 1.00 0.00 C ATOM 40 OD1 ASN A 5 10.004 6.237 -7.815 1.00 0.00 O ATOM 41 ND2 ASN A 5 10.884 6.809 -9.765 1.00 0.00 N ATOM 0 HA ASN A 5 13.665 4.068 -7.875 1.00 0.00 H new ATOM 0 HB2 ASN A 5 12.434 5.889 -7.025 1.00 0.00 H new ATOM 0 HB3 ASN A 5 13.129 6.345 -8.568 1.00 0.00 H new ATOM 0 HD21 ASN A 5 9.992 7.188 -10.082 1.00 0.00 H new ATOM 0 HD22 ASN A 5 11.698 6.840 -10.378 1.00 0.00 H new ATOM 42 N ALA A 6 12.181 1.953 -7.930 1.00 0.00 N ATOM 43 CA ALA A 6 11.373 0.746 -7.629 1.00 0.00 C ATOM 44 C ALA A 6 12.077 -0.204 -6.628 1.00 0.00 C ATOM 45 O ALA A 6 13.308 -0.310 -6.610 1.00 0.00 O ATOM 46 CB ALA A 6 11.084 0.015 -8.954 1.00 0.00 C ATOM 0 H ALA A 6 13.096 1.734 -8.324 1.00 0.00 H new ATOM 0 HA ALA A 6 10.444 1.060 -7.152 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.490 -0.877 -8.755 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.533 0.677 -9.622 1.00 0.00 H new ATOM 0 HB3 ALA A 6 12.025 -0.273 -9.424 1.00 0.00 H new ATOM 47 N LEU A 7 11.265 -0.909 -5.814 1.00 0.00 N ATOM 48 CA LEU A 7 11.760 -1.897 -4.830 1.00 0.00 C ATOM 49 C LEU A 7 11.334 -3.305 -5.306 1.00 0.00 C ATOM 50 O LEU A 7 10.158 -3.592 -5.563 1.00 0.00 O ATOM 51 CB LEU A 7 11.264 -1.653 -3.377 1.00 0.00 C ATOM 52 CG LEU A 7 11.516 -0.250 -2.766 1.00 0.00 C ATOM 53 CD1 LEU A 7 10.994 -0.176 -1.318 1.00 0.00 C ATOM 54 CD2 LEU A 7 12.985 0.221 -2.805 1.00 0.00 C ATOM 0 H LEU A 7 10.250 -0.811 -5.819 1.00 0.00 H new ATOM 0 HA LEU A 7 12.844 -1.797 -4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.191 -1.845 -3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 7 11.737 -2.392 -2.730 1.00 0.00 H new ATOM 0 HG LEU A 7 10.959 0.431 -3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 7 11.183 0.818 -0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.922 -0.374 -1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 7 11.507 -0.920 -0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.062 1.211 -2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.607 -0.479 -2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.326 0.264 -3.839 1.00 0.00 H new ATOM 55 N GLU A 8 12.342 -4.185 -5.347 1.00 0.00 N ATOM 56 CA GLU A 8 12.148 -5.655 -5.472 1.00 0.00 C ATOM 57 C GLU A 8 11.749 -6.226 -4.082 1.00 0.00 C ATOM 58 O GLU A 8 12.568 -6.332 -3.166 1.00 0.00 O ATOM 59 CB GLU A 8 13.360 -6.352 -6.145 1.00 0.00 C ATOM 60 CG GLU A 8 14.775 -6.121 -5.560 1.00 0.00 C ATOM 61 CD GLU A 8 15.864 -6.731 -6.445 1.00 0.00 C ATOM 62 OE1 GLU A 8 16.339 -6.042 -7.377 1.00 0.00 O ATOM 63 OE2 GLU A 8 16.245 -7.901 -6.222 1.00 0.00 O ATOM 0 H GLU A 8 13.322 -3.908 -5.295 1.00 0.00 H new ATOM 0 HA GLU A 8 11.326 -5.870 -6.155 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.170 -7.425 -6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.380 -6.042 -7.190 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.953 -5.051 -5.451 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.831 -6.557 -4.562 1.00 0.00 H new ATOM 64 N THR A 9 10.437 -6.484 -3.934 1.00 0.00 N ATOM 65 CA THR A 9 9.772 -6.607 -2.606 1.00 0.00 C ATOM 66 C THR A 9 9.394 -8.108 -2.432 1.00 0.00 C ATOM 67 O THR A 9 8.429 -8.599 -3.028 1.00 0.00 O ATOM 68 CB THR A 9 8.570 -5.606 -2.534 1.00 0.00 C ATOM 69 OG1 THR A 9 8.944 -4.301 -2.971 1.00 0.00 O ATOM 70 CG2 THR A 9 7.959 -5.435 -1.145 1.00 0.00 C ATOM 0 H THR A 9 9.803 -6.614 -4.722 1.00 0.00 H new ATOM 0 HA THR A 9 10.415 -6.331 -1.770 1.00 0.00 H new ATOM 0 HB THR A 9 7.829 -6.062 -3.190 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.190 -4.331 -3.919 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.135 -4.724 -1.195 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.588 -6.396 -0.790 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.718 -5.063 -0.457 1.00 0.00 H new ATOM 71 N TRP A 10 10.219 -8.839 -1.661 1.00 0.00 N ATOM 72 CA TRP A 10 10.289 -10.328 -1.731 1.00 0.00 C ATOM 73 C TRP A 10 9.572 -11.052 -0.558 1.00 0.00 C ATOM 74 O TRP A 10 9.541 -10.575 0.584 1.00 0.00 O ATOM 75 CB TRP A 10 11.785 -10.769 -1.779 1.00 0.00 C ATOM 76 CG TRP A 10 12.462 -10.626 -3.150 1.00 0.00 C ATOM 77 CD1 TRP A 10 13.309 -9.573 -3.549 1.00 0.00 C ATOM 78 CD2 TRP A 10 12.429 -11.499 -4.222 1.00 0.00 C ATOM 79 NE1 TRP A 10 13.817 -9.769 -4.844 1.00 0.00 N ATOM 80 CE2 TRP A 10 13.267 -10.977 -5.244 1.00 0.00 C ATOM 81 CE3 TRP A 10 11.743 -12.727 -4.418 1.00 0.00 C ATOM 82 CZ2 TRP A 10 13.435 -11.685 -6.454 1.00 0.00 C ATOM 83 CZ3 TRP A 10 11.920 -13.399 -5.627 1.00 0.00 C ATOM 84 CH2 TRP A 10 12.758 -12.891 -6.626 1.00 0.00 C ATOM 0 H TRP A 10 10.854 -8.429 -0.976 1.00 0.00 H new ATOM 0 HA TRP A 10 9.759 -10.621 -2.638 1.00 0.00 H new ATOM 0 HB2 TRP A 10 12.345 -10.181 -1.052 1.00 0.00 H new ATOM 0 HB3 TRP A 10 11.851 -11.811 -1.465 1.00 0.00 H new ATOM 0 HD1 TRP A 10 13.540 -8.717 -2.932 1.00 0.00 H new ATOM 0 HE1 TRP A 10 14.446 -9.162 -5.369 1.00 0.00 H new ATOM 0 HE3 TRP A 10 11.100 -13.130 -3.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 14.077 -11.299 -7.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 11.400 -14.330 -5.796 1.00 0.00 H new ATOM 0 HH2 TRP A 10 12.882 -13.443 -7.546 1.00 0.00 H new ATOM 85 N GLY A 11 9.066 -12.259 -0.865 1.00 0.00 N ATOM 86 CA GLY A 11 8.553 -13.203 0.152 1.00 0.00 C ATOM 87 C GLY A 11 8.364 -14.625 -0.430 1.00 0.00 C ATOM 88 O GLY A 11 8.012 -14.798 -1.601 1.00 0.00 O ATOM 0 H GLY A 11 9.000 -12.610 -1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.245 -13.243 0.993 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.601 -12.839 0.539 1.00 0.00 H new ATOM 89 N ALA A 12 8.538 -15.647 0.427 1.00 0.00 N ATOM 90 CA ALA A 12 8.139 -17.041 0.097 1.00 0.00 C ATOM 91 C ALA A 12 6.631 -17.251 0.401 1.00 0.00 C ATOM 92 O ALA A 12 6.108 -16.766 1.412 1.00 0.00 O ATOM 93 CB ALA A 12 8.997 -18.049 0.881 1.00 0.00 C ATOM 0 H ALA A 12 8.951 -15.541 1.354 1.00 0.00 H new ATOM 0 HA ALA A 12 8.306 -17.210 -0.967 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.690 -19.063 0.626 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.047 -17.912 0.623 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.862 -17.887 1.950 1.00 0.00 H new ATOM 94 N LEU A 13 5.942 -17.957 -0.513 1.00 0.00 N ATOM 95 CA LEU A 13 4.466 -17.850 -0.675 1.00 0.00 C ATOM 96 C LEU A 13 3.646 -18.275 0.588 1.00 0.00 C ATOM 97 O LEU A 13 4.048 -19.172 1.339 1.00 0.00 O ATOM 98 CB LEU A 13 4.047 -18.500 -2.030 1.00 0.00 C ATOM 99 CG LEU A 13 3.555 -19.973 -2.096 1.00 0.00 C ATOM 100 CD1 LEU A 13 2.063 -20.162 -1.773 1.00 0.00 C ATOM 101 CD2 LEU A 13 3.783 -20.542 -3.504 1.00 0.00 C ATOM 0 H LEU A 13 6.380 -18.614 -1.159 1.00 0.00 H new ATOM 0 HA LEU A 13 4.191 -16.797 -0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.254 -17.880 -2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.903 -18.419 -2.700 1.00 0.00 H new ATOM 0 HG LEU A 13 4.134 -20.494 -1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.807 -21.219 -1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.861 -19.806 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.462 -19.595 -2.484 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.435 -21.574 -3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.230 -19.947 -4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.846 -20.509 -3.742 1.00 0.00 H new ATOM 102 N GLY A 14 2.521 -17.582 0.817 1.00 0.00 N ATOM 103 CA GLY A 14 1.702 -17.756 2.042 1.00 0.00 C ATOM 104 C GLY A 14 2.267 -17.084 3.316 1.00 0.00 C ATOM 105 O GLY A 14 2.614 -17.783 4.271 1.00 0.00 O ATOM 0 H GLY A 14 2.149 -16.888 0.168 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.705 -17.357 1.852 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.587 -18.823 2.234 1.00 0.00 H new ATOM 106 N GLN A 15 2.355 -15.741 3.322 1.00 0.00 N ATOM 107 CA GLN A 15 2.935 -14.952 4.447 1.00 0.00 C ATOM 108 C GLN A 15 2.375 -13.488 4.390 1.00 0.00 C ATOM 109 O GLN A 15 2.077 -12.934 3.326 1.00 0.00 O ATOM 110 CB GLN A 15 4.490 -15.087 4.422 1.00 0.00 C ATOM 111 CG GLN A 15 5.300 -14.265 5.441 1.00 0.00 C ATOM 112 CD GLN A 15 6.798 -14.585 5.371 1.00 0.00 C ATOM 113 OE1 GLN A 15 7.275 -15.517 6.019 1.00 0.00 O ATOM 114 NE2 GLN A 15 7.557 -13.843 4.580 1.00 0.00 N ATOM 0 H GLN A 15 2.027 -15.162 2.549 1.00 0.00 H new ATOM 0 HA GLN A 15 2.633 -15.336 5.421 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.737 -16.139 4.568 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.833 -14.815 3.424 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.147 -13.202 5.254 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.932 -14.468 6.447 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.144 -13.075 4.051 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.555 -14.039 4.500 1.00 0.00 H new ATOM 115 N ASP A 16 2.219 -12.854 5.565 1.00 0.00 N ATOM 116 CA ASP A 16 1.590 -11.504 5.690 1.00 0.00 C ATOM 117 C ASP A 16 2.595 -10.357 5.349 1.00 0.00 C ATOM 118 O ASP A 16 3.758 -10.368 5.769 1.00 0.00 O ATOM 119 CB ASP A 16 1.001 -11.343 7.115 1.00 0.00 C ATOM 120 CG ASP A 16 -0.334 -12.058 7.397 1.00 0.00 C ATOM 121 OD1 ASP A 16 -0.497 -13.246 7.032 1.00 0.00 O ATOM 122 OD2 ASP A 16 -1.227 -11.429 8.007 1.00 0.00 O ATOM 0 H ASP A 16 2.519 -13.250 6.456 1.00 0.00 H new ATOM 0 HA ASP A 16 0.783 -11.427 4.962 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.739 -11.705 7.831 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.865 -10.279 7.309 1.00 0.00 H new ATOM 123 N ILE A 17 2.114 -9.384 4.549 1.00 0.00 N ATOM 124 CA ILE A 17 2.952 -8.347 3.865 1.00 0.00 C ATOM 125 C ILE A 17 2.251 -6.951 3.980 1.00 0.00 C ATOM 126 O ILE A 17 1.024 -6.851 4.108 1.00 0.00 O ATOM 127 CB ILE A 17 3.223 -8.816 2.381 1.00 0.00 C ATOM 128 CG1 ILE A 17 4.189 -10.031 2.261 1.00 0.00 C ATOM 129 CG2 ILE A 17 3.674 -7.735 1.367 1.00 0.00 C ATOM 130 CD1 ILE A 17 5.629 -9.854 2.781 1.00 0.00 C ATOM 0 H ILE A 17 1.119 -9.285 4.349 1.00 0.00 H new ATOM 0 HA ILE A 17 3.925 -8.233 4.342 1.00 0.00 H new ATOM 0 HB ILE A 17 2.212 -9.109 2.097 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.741 -10.870 2.793 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.244 -10.313 1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.824 -8.193 0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.907 -6.964 1.292 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.608 -7.286 1.705 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.186 -10.779 2.633 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.116 -9.046 2.235 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.605 -9.611 3.843 1.00 0.00 H new ATOM 131 N ASN A 18 3.054 -5.864 3.894 1.00 0.00 N ATOM 132 CA ASN A 18 2.541 -4.466 3.813 1.00 0.00 C ATOM 133 C ASN A 18 3.184 -3.703 2.607 1.00 0.00 C ATOM 134 O ASN A 18 4.413 -3.687 2.480 1.00 0.00 O ATOM 135 CB ASN A 18 2.745 -3.700 5.150 1.00 0.00 C ATOM 136 CG ASN A 18 1.853 -4.190 6.315 1.00 0.00 C ATOM 137 OD1 ASN A 18 2.157 -5.173 6.989 1.00 0.00 O ATOM 138 ND2 ASN A 18 0.733 -3.530 6.560 1.00 0.00 N ATOM 0 H ASN A 18 4.072 -5.926 3.878 1.00 0.00 H new ATOM 0 HA ASN A 18 1.466 -4.518 3.638 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.790 -3.788 5.448 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.550 -2.641 4.980 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.115 -3.835 7.312 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.487 -2.716 5.997 1.00 0.00 H new ATOM 139 N LEU A 19 2.355 -3.039 1.755 1.00 0.00 N ATOM 140 CA LEU A 19 2.843 -2.056 0.737 1.00 0.00 C ATOM 141 C LEU A 19 2.736 -0.634 1.322 1.00 0.00 C ATOM 142 O LEU A 19 1.640 -0.088 1.460 1.00 0.00 O ATOM 143 CB LEU A 19 2.152 -2.136 -0.678 1.00 0.00 C ATOM 144 CG LEU A 19 3.048 -2.611 -1.878 1.00 0.00 C ATOM 145 CD1 LEU A 19 4.562 -2.855 -1.695 1.00 0.00 C ATOM 146 CD2 LEU A 19 2.437 -3.783 -2.618 1.00 0.00 C ATOM 0 H LEU A 19 1.343 -3.165 1.751 1.00 0.00 H new ATOM 0 HA LEU A 19 3.880 -2.324 0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.300 -2.811 -0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.756 -1.149 -0.919 1.00 0.00 H new ATOM 0 HG LEU A 19 3.038 -1.687 -2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.996 -3.177 -2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.043 -1.932 -1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.718 -3.628 -0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.092 -4.076 -3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.315 -4.622 -1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.464 -3.495 -3.015 1.00 0.00 H new ATOM 147 N ASP A 20 3.891 -0.058 1.684 1.00 0.00 N ATOM 148 CA ASP A 20 3.960 1.115 2.584 1.00 0.00 C ATOM 149 C ASP A 20 5.251 1.923 2.243 1.00 0.00 C ATOM 150 O ASP A 20 6.363 1.394 2.365 1.00 0.00 O ATOM 151 CB ASP A 20 3.861 0.679 4.079 1.00 0.00 C ATOM 152 CG ASP A 20 4.980 -0.201 4.663 1.00 0.00 C ATOM 153 OD1 ASP A 20 5.062 -1.397 4.305 1.00 0.00 O ATOM 154 OD2 ASP A 20 5.783 0.307 5.478 1.00 0.00 O ATOM 0 H ASP A 20 4.803 -0.386 1.366 1.00 0.00 H new ATOM 0 HA ASP A 20 3.106 1.775 2.427 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.800 1.583 4.685 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.919 0.146 4.207 1.00 0.00 H new ATOM 155 N ILE A 21 5.117 3.220 1.887 1.00 0.00 N ATOM 156 CA ILE A 21 6.198 4.221 2.164 1.00 0.00 C ATOM 157 C ILE A 21 5.576 5.550 2.743 1.00 0.00 C ATOM 158 O ILE A 21 5.595 6.573 2.049 1.00 0.00 O ATOM 159 CB ILE A 21 7.258 4.358 1.013 1.00 0.00 C ATOM 160 CG1 ILE A 21 8.545 5.153 1.396 1.00 0.00 C ATOM 161 CG2 ILE A 21 6.694 4.906 -0.317 1.00 0.00 C ATOM 162 CD1 ILE A 21 9.389 4.570 2.539 1.00 0.00 C ATOM 0 H ILE A 21 4.296 3.602 1.418 1.00 0.00 H new ATOM 0 HA ILE A 21 6.836 3.841 2.962 1.00 0.00 H new ATOM 0 HB ILE A 21 7.546 3.318 0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 21 9.175 5.231 0.510 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.252 6.167 1.669 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.495 4.967 -1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.914 4.239 -0.684 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.275 5.899 -0.153 1.00 0.00 H new ATOM 0 HD11 ILE A 21 10.255 5.208 2.714 1.00 0.00 H new ATOM 0 HD12 ILE A 21 8.787 4.519 3.446 1.00 0.00 H new ATOM 0 HD13 ILE A 21 9.724 3.569 2.269 1.00 0.00 H new ATOM 163 N PRO A 22 5.073 5.599 4.014 1.00 0.00 N ATOM 164 CA PRO A 22 4.579 6.852 4.657 1.00 0.00 C ATOM 165 C PRO A 22 5.709 7.751 5.253 1.00 0.00 C ATOM 166 O PRO A 22 6.906 7.448 5.174 1.00 0.00 O ATOM 167 CB PRO A 22 3.605 6.259 5.706 1.00 0.00 C ATOM 168 CG PRO A 22 4.222 4.926 6.129 1.00 0.00 C ATOM 169 CD PRO A 22 4.808 4.394 4.824 1.00 0.00 C ATOM 0 HA PRO A 22 4.113 7.559 3.971 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.493 6.928 6.559 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.612 6.114 5.281 1.00 0.00 H new ATOM 0 HG2 PRO A 22 4.989 5.060 6.892 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.475 4.248 6.543 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.722 3.828 5.002 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.111 3.724 4.321 1.00 0.00 H new ATOM 170 N SER A 23 5.277 8.873 5.857 1.00 0.00 N ATOM 171 CA SER A 23 6.144 9.827 6.610 1.00 0.00 C ATOM 172 C SER A 23 6.942 10.820 5.711 1.00 0.00 C ATOM 173 O SER A 23 8.176 10.870 5.747 1.00 0.00 O ATOM 174 CB SER A 23 6.970 9.158 7.743 1.00 0.00 C ATOM 175 OG SER A 23 7.496 10.131 8.636 1.00 0.00 O ATOM 0 H SER A 23 4.297 9.157 5.841 1.00 0.00 H new ATOM 0 HA SER A 23 5.448 10.478 7.139 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.340 8.459 8.292 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.786 8.579 7.309 1.00 0.00 H new ATOM 0 HG SER A 23 8.010 9.684 9.341 1.00 0.00 H new ATOM 176 N PHE A 24 6.201 11.673 4.975 1.00 0.00 N ATOM 177 CA PHE A 24 6.718 12.975 4.466 1.00 0.00 C ATOM 178 C PHE A 24 6.404 14.121 5.495 1.00 0.00 C ATOM 179 O PHE A 24 5.626 13.957 6.443 1.00 0.00 O ATOM 180 CB PHE A 24 6.128 13.197 3.035 1.00 0.00 C ATOM 181 CG PHE A 24 6.730 14.373 2.237 1.00 0.00 C ATOM 182 CD1 PHE A 24 8.060 14.328 1.803 1.00 0.00 C ATOM 183 CD2 PHE A 24 5.982 15.541 2.031 1.00 0.00 C ATOM 184 CE1 PHE A 24 8.640 15.438 1.197 1.00 0.00 C ATOM 185 CE2 PHE A 24 6.568 16.650 1.425 1.00 0.00 C ATOM 186 CZ PHE A 24 7.894 16.599 1.010 1.00 0.00 C ATOM 0 H PHE A 24 5.233 11.487 4.714 1.00 0.00 H new ATOM 0 HA PHE A 24 7.804 12.978 4.371 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.267 12.282 2.459 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.054 13.356 3.126 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.639 13.427 1.939 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.949 15.581 2.343 1.00 0.00 H new ATOM 0 HE1 PHE A 24 9.669 15.399 0.872 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.991 17.551 1.277 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.346 17.461 0.542 1.00 0.00 H new ATOM 187 N GLN A 25 7.022 15.302 5.285 1.00 0.00 N ATOM 188 CA GLN A 25 6.741 16.530 6.079 1.00 0.00 C ATOM 189 C GLN A 25 5.403 17.156 5.583 1.00 0.00 C ATOM 190 O GLN A 25 5.329 17.716 4.482 1.00 0.00 O ATOM 191 CB GLN A 25 7.900 17.563 5.969 1.00 0.00 C ATOM 192 CG GLN A 25 9.266 17.173 6.593 1.00 0.00 C ATOM 193 CD GLN A 25 10.126 16.214 5.749 1.00 0.00 C ATOM 194 OE1 GLN A 25 10.145 15.005 5.978 1.00 0.00 O ATOM 195 NE2 GLN A 25 10.851 16.726 4.764 1.00 0.00 N ATOM 0 H GLN A 25 7.730 15.437 4.563 1.00 0.00 H new ATOM 0 HA GLN A 25 6.656 16.255 7.130 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.061 17.777 4.912 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.569 18.491 6.435 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.837 18.084 6.773 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.085 16.713 7.564 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.828 17.729 4.582 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.431 16.116 4.188 1.00 0.00 H new ATOM 196 N MET A 26 4.344 17.005 6.394 1.00 0.00 N ATOM 197 CA MET A 26 2.948 17.314 5.980 1.00 0.00 C ATOM 198 C MET A 26 2.533 18.745 6.421 1.00 0.00 C ATOM 199 O MET A 26 2.871 19.207 7.516 1.00 0.00 O ATOM 200 CB MET A 26 1.973 16.267 6.582 1.00 0.00 C ATOM 201 CG MET A 26 2.102 14.842 6.011 1.00 0.00 C ATOM 202 SD MET A 26 1.100 13.687 6.974 1.00 0.00 S ATOM 203 CE MET A 26 2.179 13.300 8.362 1.00 0.00 C ATOM 0 H MET A 26 4.421 16.667 7.353 1.00 0.00 H new ATOM 0 HA MET A 26 2.899 17.270 4.892 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.132 16.225 7.660 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.952 16.613 6.424 1.00 0.00 H new ATOM 0 HG2 MET A 26 1.782 14.830 4.969 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.146 14.529 6.028 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.677 12.598 9.028 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.102 12.853 7.992 1.00 0.00 H new ATOM 0 HE3 MET A 26 2.412 14.214 8.908 1.00 0.00 H new ATOM 204 N SER A 27 1.724 19.405 5.568 1.00 0.00 N ATOM 205 CA SER A 27 1.026 20.673 5.917 1.00 0.00 C ATOM 206 C SER A 27 -0.291 20.327 6.682 1.00 0.00 C ATOM 207 O SER A 27 -0.201 19.910 7.843 1.00 0.00 O ATOM 208 CB SER A 27 0.938 21.559 4.644 1.00 0.00 C ATOM 209 OG SER A 27 0.221 20.928 3.583 1.00 0.00 O ATOM 0 H SER A 27 1.532 19.081 4.620 1.00 0.00 H new ATOM 0 HA SER A 27 1.566 21.303 6.624 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.452 22.502 4.895 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.945 21.800 4.304 1.00 0.00 H new ATOM 0 HG SER A 27 0.192 21.526 2.807 1.00 0.00 H new ATOM 210 N ASP A 28 -1.481 20.441 6.060 1.00 0.00 N ATOM 211 CA ASP A 28 -2.718 19.777 6.561 1.00 0.00 C ATOM 212 C ASP A 28 -3.644 19.480 5.343 1.00 0.00 C ATOM 213 O ASP A 28 -4.686 20.121 5.167 1.00 0.00 O ATOM 214 CB ASP A 28 -3.379 20.616 7.695 1.00 0.00 C ATOM 215 CG ASP A 28 -4.492 19.880 8.456 1.00 0.00 C ATOM 216 OD1 ASP A 28 -4.184 18.914 9.191 1.00 0.00 O ATOM 217 OD2 ASP A 28 -5.675 20.261 8.325 1.00 0.00 O ATOM 0 H ASP A 28 -1.620 20.985 5.209 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.491 18.820 7.031 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -2.608 20.919 8.404 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.791 21.528 7.264 1.00 0.00 H new ATOM 218 N ASP A 29 -3.258 18.489 4.510 1.00 0.00 N ATOM 219 CA ASP A 29 -4.068 18.030 3.346 1.00 0.00 C ATOM 220 C ASP A 29 -3.480 16.679 2.847 1.00 0.00 C ATOM 221 O ASP A 29 -2.594 16.660 1.986 1.00 0.00 O ATOM 222 CB ASP A 29 -4.263 19.086 2.209 1.00 0.00 C ATOM 223 CG ASP A 29 -3.005 19.745 1.617 1.00 0.00 C ATOM 224 OD1 ASP A 29 -2.532 20.754 2.180 1.00 0.00 O ATOM 225 OD2 ASP A 29 -2.489 19.255 0.586 1.00 0.00 O ATOM 0 H ASP A 29 -2.380 17.982 4.620 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.092 17.883 3.689 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.804 18.604 1.394 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.906 19.878 2.594 1.00 0.00 H new ATOM 226 N ILE A 30 -3.970 15.555 3.404 1.00 0.00 N ATOM 227 CA ILE A 30 -3.516 14.181 3.033 1.00 0.00 C ATOM 228 C ILE A 30 -4.677 13.190 3.352 1.00 0.00 C ATOM 229 O ILE A 30 -5.142 13.104 4.496 1.00 0.00 O ATOM 230 CB ILE A 30 -2.133 13.717 3.643 1.00 0.00 C ATOM 231 CG1 ILE A 30 -1.765 14.168 5.088 1.00 0.00 C ATOM 232 CG2 ILE A 30 -0.943 14.099 2.725 1.00 0.00 C ATOM 233 CD1 ILE A 30 -2.608 13.610 6.241 1.00 0.00 C ATOM 0 H ILE A 30 -4.692 15.563 4.125 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.295 14.193 1.966 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.300 12.642 3.708 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.725 13.897 5.270 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.822 15.256 5.125 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.011 13.763 3.179 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.066 13.622 1.753 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.915 15.181 2.597 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.240 14.008 7.187 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.649 13.902 6.105 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.535 12.523 6.252 1.00 0.00 H new ATOM 234 N ASP A 31 -5.152 12.441 2.333 1.00 0.00 N ATOM 235 CA ASP A 31 -6.338 11.546 2.479 1.00 0.00 C ATOM 236 C ASP A 31 -6.281 10.260 1.610 1.00 0.00 C ATOM 237 O ASP A 31 -6.497 9.167 2.145 1.00 0.00 O ATOM 238 CB ASP A 31 -7.664 12.342 2.238 1.00 0.00 C ATOM 239 CG ASP A 31 -8.622 12.326 3.431 1.00 0.00 C ATOM 240 OD1 ASP A 31 -8.295 12.917 4.483 1.00 0.00 O ATOM 241 OD2 ASP A 31 -9.707 11.714 3.325 1.00 0.00 O ATOM 0 H ASP A 31 -4.739 12.433 1.400 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.318 11.190 3.509 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.417 13.376 1.997 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.174 11.925 1.369 1.00 0.00 H new ATOM 242 N ASP A 32 -6.070 10.390 0.287 1.00 0.00 N ATOM 243 CA ASP A 32 -6.347 9.310 -0.698 1.00 0.00 C ATOM 244 C ASP A 32 -5.034 8.590 -1.096 1.00 0.00 C ATOM 245 O ASP A 32 -4.020 9.241 -1.364 1.00 0.00 O ATOM 246 CB ASP A 32 -7.005 9.928 -1.969 1.00 0.00 C ATOM 247 CG ASP A 32 -8.320 10.729 -1.843 1.00 0.00 C ATOM 248 OD1 ASP A 32 -9.022 10.631 -0.811 1.00 0.00 O ATOM 249 OD2 ASP A 32 -8.645 11.469 -2.797 1.00 0.00 O ATOM 0 H ASP A 32 -5.703 11.243 -0.136 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.022 8.584 -0.245 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.267 10.585 -2.430 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.187 9.113 -2.669 1.00 0.00 H new ATOM 250 N ILE A 33 -5.063 7.243 -1.131 1.00 0.00 N ATOM 251 CA ILE A 33 -3.831 6.424 -1.420 1.00 0.00 C ATOM 252 C ILE A 33 -4.236 5.288 -2.410 1.00 0.00 C ATOM 253 O ILE A 33 -5.220 4.571 -2.204 1.00 0.00 O ATOM 254 CB ILE A 33 -3.068 5.921 -0.135 1.00 0.00 C ATOM 255 CG1 ILE A 33 -2.526 7.074 0.777 1.00 0.00 C ATOM 256 CG2 ILE A 33 -1.869 4.988 -0.456 1.00 0.00 C ATOM 257 CD1 ILE A 33 -3.432 7.408 1.963 1.00 0.00 C ATOM 0 H ILE A 33 -5.904 6.690 -0.968 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.082 7.061 -1.890 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.840 5.368 0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.542 6.794 1.153 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.393 7.970 0.171 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.389 4.679 0.473 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.226 4.107 -0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.149 5.521 -1.076 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.987 8.215 2.545 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.410 7.721 1.597 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.546 6.526 2.594 1.00 0.00 H new ATOM 258 N LYS A 34 -3.433 5.134 -3.476 1.00 0.00 N ATOM 259 CA LYS A 34 -3.830 4.394 -4.699 1.00 0.00 C ATOM 260 C LYS A 34 -2.714 3.421 -5.131 1.00 0.00 C ATOM 261 O LYS A 34 -1.546 3.805 -5.192 1.00 0.00 O ATOM 262 CB LYS A 34 -4.125 5.487 -5.767 1.00 0.00 C ATOM 263 CG LYS A 34 -4.613 5.055 -7.167 1.00 0.00 C ATOM 264 CD LYS A 34 -3.495 4.859 -8.217 1.00 0.00 C ATOM 265 CE LYS A 34 -4.004 4.782 -9.669 1.00 0.00 C ATOM 266 NZ LYS A 34 -4.520 6.067 -10.181 1.00 0.00 N ATOM 0 H LYS A 34 -2.489 5.517 -3.520 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.709 3.769 -4.543 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.875 6.160 -5.351 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.214 6.070 -5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.167 4.121 -7.070 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.312 5.804 -7.539 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.786 5.682 -8.135 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.950 3.944 -7.985 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.192 4.443 -10.313 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.793 4.033 -9.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.427 5.909 -10.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.660 6.726 -9.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.837 6.473 -10.852 1.00 0.00 H new ATOM 267 N TRP A 35 -3.100 2.174 -5.454 1.00 0.00 N ATOM 268 CA TRP A 35 -2.146 1.098 -5.845 1.00 0.00 C ATOM 269 C TRP A 35 -2.671 0.396 -7.145 1.00 0.00 C ATOM 270 O TRP A 35 -3.772 -0.183 -7.193 1.00 0.00 O ATOM 271 CB TRP A 35 -1.880 0.127 -4.659 1.00 0.00 C ATOM 272 CG TRP A 35 -1.049 0.727 -3.485 1.00 0.00 C ATOM 273 CD1 TRP A 35 -1.460 1.240 -2.243 1.00 0.00 C ATOM 274 CD2 TRP A 35 0.312 0.764 -3.408 1.00 0.00 C ATOM 275 NE1 TRP A 35 -0.399 1.585 -1.394 1.00 0.00 N ATOM 276 CE2 TRP A 35 0.706 1.271 -2.142 1.00 0.00 C ATOM 277 CE3 TRP A 35 1.251 0.264 -4.300 1.00 0.00 C ATOM 278 CZ2 TRP A 35 2.070 1.253 -1.765 1.00 0.00 C ATOM 279 CZ3 TRP A 35 2.590 0.262 -3.934 1.00 0.00 C ATOM 280 CH2 TRP A 35 2.986 0.704 -2.663 1.00 0.00 C ATOM 0 H TRP A 35 -4.075 1.875 -5.454 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.170 1.522 -6.082 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -2.838 -0.214 -4.268 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -1.360 -0.752 -5.039 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.498 1.358 -1.968 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.439 1.974 -0.452 1.00 0.00 H new ATOM 0 HE3 TRP A 35 0.945 -0.117 -5.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.391 1.651 -0.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 3.335 -0.084 -4.635 1.00 0.00 H new ATOM 0 HH2 TRP A 35 4.023 0.617 -2.373 1.00 0.00 H new ATOM 281 N GLU A 36 -1.819 0.514 -8.190 1.00 0.00 N ATOM 282 CA GLU A 36 -2.112 0.143 -9.611 1.00 0.00 C ATOM 283 C GLU A 36 -0.876 -0.600 -10.227 1.00 0.00 C ATOM 284 O GLU A 36 0.261 -0.345 -9.818 1.00 0.00 O ATOM 285 CB GLU A 36 -2.396 1.483 -10.363 1.00 0.00 C ATOM 286 CG GLU A 36 -2.707 1.402 -11.876 1.00 0.00 C ATOM 287 CD GLU A 36 -2.694 2.762 -12.580 1.00 0.00 C ATOM 288 OE1 GLU A 36 -1.595 3.303 -12.825 1.00 0.00 O ATOM 289 OE2 GLU A 36 -3.782 3.292 -12.900 1.00 0.00 O ATOM 0 H GLU A 36 -0.875 0.882 -8.072 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.966 -0.529 -9.691 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.238 1.972 -9.873 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.530 2.132 -10.232 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.977 0.748 -12.354 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.685 0.941 -12.013 1.00 0.00 H new ATOM 290 N LYS A 37 -1.061 -1.477 -11.242 1.00 0.00 N ATOM 291 CA LYS A 37 0.065 -2.248 -11.853 1.00 0.00 C ATOM 292 C LYS A 37 0.948 -1.387 -12.811 1.00 0.00 C ATOM 293 O LYS A 37 0.452 -0.477 -13.484 1.00 0.00 O ATOM 294 CB LYS A 37 -0.543 -3.469 -12.590 1.00 0.00 C ATOM 295 CG LYS A 37 0.439 -4.590 -12.992 1.00 0.00 C ATOM 296 CD LYS A 37 -0.245 -5.718 -13.788 1.00 0.00 C ATOM 297 CE LYS A 37 0.715 -6.880 -14.095 1.00 0.00 C ATOM 298 NZ LYS A 37 0.025 -7.992 -14.773 1.00 0.00 N ATOM 0 H LYS A 37 -1.972 -1.673 -11.658 1.00 0.00 H new ATOM 0 HA LYS A 37 0.740 -2.573 -11.061 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.314 -3.903 -11.953 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.039 -3.111 -13.492 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.245 -4.165 -13.590 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.895 -5.008 -12.094 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.098 -6.094 -13.222 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.635 -5.315 -14.723 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.531 -6.522 -14.722 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.160 -7.239 -13.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.703 -8.757 -14.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.738 -8.350 -14.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.378 -7.655 -15.670 1.00 0.00 H new ATOM 299 N THR A 38 2.253 -1.716 -12.891 1.00 0.00 N ATOM 300 CA THR A 38 3.196 -1.063 -13.856 1.00 0.00 C ATOM 301 C THR A 38 2.984 -1.415 -15.364 1.00 0.00 C ATOM 302 O THR A 38 3.072 -0.507 -16.193 1.00 0.00 O ATOM 303 CB THR A 38 4.692 -1.302 -13.483 1.00 0.00 C ATOM 304 OG1 THR A 38 5.007 -2.689 -13.514 1.00 0.00 O ATOM 305 CG2 THR A 38 5.130 -0.724 -12.132 1.00 0.00 C ATOM 0 H THR A 38 2.689 -2.428 -12.305 1.00 0.00 H new ATOM 0 HA THR A 38 2.944 -0.008 -13.750 1.00 0.00 H new ATOM 0 HB THR A 38 5.247 -0.755 -14.245 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.950 -2.816 -13.279 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.185 -0.944 -11.967 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.980 0.356 -12.132 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.537 -1.172 -11.335 1.00 0.00 H new ATOM 306 N SER A 39 2.777 -2.702 -15.716 1.00 0.00 N ATOM 307 CA SER A 39 2.930 -3.205 -17.113 1.00 0.00 C ATOM 308 C SER A 39 1.965 -2.574 -18.159 1.00 0.00 C ATOM 309 O SER A 39 2.448 -1.931 -19.093 1.00 0.00 O ATOM 310 CB SER A 39 2.891 -4.752 -17.123 1.00 0.00 C ATOM 311 OG SER A 39 3.958 -5.300 -16.355 1.00 0.00 O ATOM 0 H SER A 39 2.501 -3.424 -15.050 1.00 0.00 H new ATOM 0 HA SER A 39 3.910 -2.868 -17.451 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.937 -5.097 -16.723 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.956 -5.113 -18.149 1.00 0.00 H new ATOM 0 HG SER A 39 3.908 -6.278 -16.377 1.00 0.00 H new ATOM 312 N ASP A 40 0.633 -2.719 -17.986 1.00 0.00 N ATOM 313 CA ASP A 40 -0.374 -1.993 -18.816 1.00 0.00 C ATOM 314 C ASP A 40 -1.398 -1.147 -17.976 1.00 0.00 C ATOM 315 O ASP A 40 -2.524 -0.926 -18.433 1.00 0.00 O ATOM 316 CB ASP A 40 -1.018 -3.048 -19.767 1.00 0.00 C ATOM 317 CG ASP A 40 -1.777 -2.472 -20.972 1.00 0.00 C ATOM 318 OD1 ASP A 40 -1.130 -1.939 -21.898 1.00 0.00 O ATOM 319 OD2 ASP A 40 -3.026 -2.555 -20.993 1.00 0.00 O ATOM 0 H ASP A 40 0.222 -3.331 -17.281 1.00 0.00 H new ATOM 0 HA ASP A 40 0.110 -1.219 -19.412 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.232 -3.708 -20.135 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.705 -3.664 -19.187 1.00 0.00 H new ATOM 320 N LYS A 41 -1.009 -0.613 -16.785 1.00 0.00 N ATOM 321 CA LYS A 41 -1.862 0.277 -15.933 1.00 0.00 C ATOM 322 C LYS A 41 -3.178 -0.401 -15.468 1.00 0.00 C ATOM 323 O LYS A 41 -4.275 -0.054 -15.920 1.00 0.00 O ATOM 324 CB LYS A 41 -2.051 1.698 -16.536 1.00 0.00 C ATOM 325 CG LYS A 41 -0.741 2.521 -16.588 1.00 0.00 C ATOM 326 CD LYS A 41 -0.836 3.871 -17.324 1.00 0.00 C ATOM 327 CE LYS A 41 -1.103 3.740 -18.837 1.00 0.00 C ATOM 328 NZ LYS A 41 -0.922 5.026 -19.536 1.00 0.00 N ATOM 0 H LYS A 41 -0.088 -0.787 -16.382 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.301 0.441 -15.013 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.454 1.606 -17.544 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.789 2.240 -15.945 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.408 2.706 -15.567 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.028 1.917 -17.070 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.633 4.464 -16.874 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.093 4.421 -17.175 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.429 2.996 -19.262 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.119 3.378 -18.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.110 4.899 -20.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.583 5.729 -19.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.054 5.359 -19.404 1.00 0.00 H new ATOM 329 N LYS A 42 -3.023 -1.392 -14.570 1.00 0.00 N ATOM 330 CA LYS A 42 -4.149 -2.219 -14.074 1.00 0.00 C ATOM 331 C LYS A 42 -4.548 -1.752 -12.657 1.00 0.00 C ATOM 332 O LYS A 42 -3.848 -2.011 -11.681 1.00 0.00 O ATOM 333 CB LYS A 42 -3.842 -3.737 -14.168 1.00 0.00 C ATOM 334 CG LYS A 42 -5.085 -4.643 -14.010 1.00 0.00 C ATOM 335 CD LYS A 42 -4.746 -6.149 -14.039 1.00 0.00 C ATOM 336 CE LYS A 42 -5.954 -7.074 -13.789 1.00 0.00 C ATOM 337 NZ LYS A 42 -6.897 -7.113 -14.923 1.00 0.00 N ATOM 0 H LYS A 42 -2.120 -1.644 -14.167 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.014 -2.073 -14.721 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.375 -3.943 -15.131 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.115 -3.998 -13.399 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.582 -4.407 -13.069 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.793 -4.421 -14.809 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.310 -6.393 -15.008 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.985 -6.353 -13.286 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.596 -8.083 -13.587 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.482 -6.739 -12.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.687 -7.750 -14.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.264 -6.157 -15.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.405 -7.459 -15.771 1.00 0.00 H new ATOM 338 N LYS A 43 -5.702 -1.078 -12.568 1.00 0.00 N ATOM 339 CA LYS A 43 -6.236 -0.540 -11.289 1.00 0.00 C ATOM 340 C LYS A 43 -6.838 -1.687 -10.432 1.00 0.00 C ATOM 341 O LYS A 43 -7.969 -2.133 -10.650 1.00 0.00 O ATOM 342 CB LYS A 43 -7.280 0.567 -11.595 1.00 0.00 C ATOM 343 CG LYS A 43 -6.684 1.879 -12.152 1.00 0.00 C ATOM 344 CD LYS A 43 -7.742 2.956 -12.456 1.00 0.00 C ATOM 345 CE LYS A 43 -7.099 4.254 -12.972 1.00 0.00 C ATOM 346 NZ LYS A 43 -8.106 5.255 -13.350 1.00 0.00 N ATOM 0 H LYS A 43 -6.298 -0.885 -13.373 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.429 -0.094 -10.707 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.002 0.178 -12.313 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.829 0.792 -10.681 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.968 2.277 -11.433 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.130 1.658 -13.064 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.444 2.577 -13.199 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.316 3.168 -11.554 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.448 4.667 -12.201 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.470 4.029 -13.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.630 6.114 -13.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.711 4.871 -14.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.690 5.489 -12.522 1.00 0.00 H new ATOM 347 N ILE A 44 -6.042 -2.140 -9.436 1.00 0.00 N ATOM 348 CA ILE A 44 -6.496 -3.110 -8.403 1.00 0.00 C ATOM 349 C ILE A 44 -7.394 -2.332 -7.397 1.00 0.00 C ATOM 350 O ILE A 44 -8.596 -2.630 -7.368 1.00 0.00 O ATOM 351 CB ILE A 44 -5.295 -3.957 -7.816 1.00 0.00 C ATOM 352 CG1 ILE A 44 -4.791 -5.103 -8.755 1.00 0.00 C ATOM 353 CG2 ILE A 44 -5.614 -4.643 -6.462 1.00 0.00 C ATOM 354 CD1 ILE A 44 -4.103 -4.699 -10.064 1.00 0.00 C ATOM 0 H ILE A 44 -5.071 -1.848 -9.323 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.121 -3.901 -8.817 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.527 -3.193 -7.699 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.095 -5.721 -8.187 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.645 -5.732 -9.005 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.743 -5.204 -6.124 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.867 -3.885 -5.721 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.457 -5.323 -6.588 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.808 -5.594 -10.611 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.793 -4.113 -10.672 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.219 -4.102 -9.841 1.00 0.00 H new ATOM 355 N ALA A 45 -6.875 -1.356 -6.607 1.00 0.00 N ATOM 356 CA ALA A 45 -7.724 -0.638 -5.624 1.00 0.00 C ATOM 357 C ALA A 45 -7.240 0.821 -5.399 1.00 0.00 C ATOM 358 O ALA A 45 -6.140 1.226 -5.789 1.00 0.00 O ATOM 359 CB ALA A 45 -7.799 -1.499 -4.348 1.00 0.00 C ATOM 0 H ALA A 45 -5.901 -1.055 -6.630 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.739 -0.512 -6.001 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.418 -0.996 -3.605 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.236 -2.468 -4.588 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.796 -1.643 -3.947 1.00 0.00 H new ATOM 360 N GLN A 46 -8.113 1.612 -4.755 1.00 0.00 N ATOM 361 CA GLN A 46 -7.847 3.032 -4.426 1.00 0.00 C ATOM 362 C GLN A 46 -8.806 3.445 -3.268 1.00 0.00 C ATOM 363 O GLN A 46 -10.007 3.123 -3.238 1.00 0.00 O ATOM 364 CB GLN A 46 -8.097 3.905 -5.698 1.00 0.00 C ATOM 365 CG GLN A 46 -7.971 5.440 -5.544 1.00 0.00 C ATOM 366 CD GLN A 46 -8.070 6.243 -6.857 1.00 0.00 C ATOM 367 OE1 GLN A 46 -8.063 5.711 -7.970 1.00 0.00 O ATOM 368 NE2 GLN A 46 -8.138 7.560 -6.752 1.00 0.00 N ATOM 0 H GLN A 46 -9.029 1.288 -4.444 1.00 0.00 H new ATOM 0 HA GLN A 46 -6.814 3.178 -4.109 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -7.396 3.585 -6.469 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.099 3.684 -6.066 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.751 5.786 -4.866 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -7.015 5.664 -5.071 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.144 7.999 -5.831 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.185 8.137 -7.592 1.00 0.00 H new ATOM 369 N PHE A 47 -8.231 4.230 -2.347 1.00 0.00 N ATOM 370 CA PHE A 47 -8.919 4.711 -1.131 1.00 0.00 C ATOM 371 C PHE A 47 -9.263 6.207 -1.230 1.00 0.00 C ATOM 372 O PHE A 47 -8.379 7.034 -1.488 1.00 0.00 O ATOM 373 CB PHE A 47 -8.024 4.462 0.120 1.00 0.00 C ATOM 374 CG PHE A 47 -8.464 3.238 0.925 1.00 0.00 C ATOM 375 CD1 PHE A 47 -8.432 1.969 0.340 1.00 0.00 C ATOM 376 CD2 PHE A 47 -8.886 3.386 2.249 1.00 0.00 C ATOM 377 CE1 PHE A 47 -8.800 0.849 1.079 1.00 0.00 C ATOM 378 CE2 PHE A 47 -9.245 2.260 2.991 1.00 0.00 C ATOM 379 CZ PHE A 47 -9.198 0.992 2.410 1.00 0.00 C ATOM 0 H PHE A 47 -7.267 4.554 -2.421 1.00 0.00 H new ATOM 0 HA PHE A 47 -9.851 4.155 -1.035 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.990 4.330 -0.198 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.050 5.343 0.762 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.121 1.858 -0.688 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.934 4.368 2.696 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -8.778 -0.130 0.624 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.560 2.370 4.018 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.469 0.122 2.989 1.00 0.00 H new ATOM 380 N ARG A 48 -10.548 6.484 -0.920 1.00 0.00 N ATOM 381 CA ARG A 48 -11.074 7.846 -0.669 1.00 0.00 C ATOM 382 C ARG A 48 -12.069 7.837 0.541 1.00 0.00 C ATOM 383 O ARG A 48 -12.731 6.831 0.824 1.00 0.00 O ATOM 384 CB ARG A 48 -11.849 8.408 -1.897 1.00 0.00 C ATOM 385 CG ARG A 48 -11.147 8.454 -3.273 1.00 0.00 C ATOM 386 CD ARG A 48 -11.997 9.129 -4.371 1.00 0.00 C ATOM 387 NE ARG A 48 -13.243 8.378 -4.682 1.00 0.00 N ATOM 388 CZ ARG A 48 -14.318 8.897 -5.304 1.00 0.00 C ATOM 389 NH1 ARG A 48 -14.376 10.138 -5.786 1.00 0.00 N ATOM 390 NH2 ARG A 48 -15.382 8.129 -5.444 1.00 0.00 N ATOM 0 H ARG A 48 -11.260 5.759 -0.836 1.00 0.00 H new ATOM 0 HA ARG A 48 -10.208 8.474 -0.462 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -12.757 7.816 -2.011 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -12.159 9.424 -1.653 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -10.203 8.990 -3.174 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -10.905 7.438 -3.584 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -12.257 10.139 -4.053 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -11.400 9.224 -5.278 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.286 7.398 -4.403 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -13.572 10.759 -5.694 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -15.224 10.467 -6.247 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -15.372 7.174 -5.086 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -16.214 8.490 -5.910 1.00 0.00 H new ATOM 391 N LYS A 49 -12.230 9.008 1.195 1.00 0.00 N ATOM 392 CA LYS A 49 -13.295 9.224 2.223 1.00 0.00 C ATOM 393 C LYS A 49 -14.454 10.086 1.631 1.00 0.00 C ATOM 394 O LYS A 49 -14.505 11.305 1.832 1.00 0.00 O ATOM 395 CB LYS A 49 -12.678 9.852 3.508 1.00 0.00 C ATOM 396 CG LYS A 49 -11.865 8.879 4.399 1.00 0.00 C ATOM 397 CD LYS A 49 -12.662 8.214 5.547 1.00 0.00 C ATOM 398 CE LYS A 49 -12.871 9.130 6.771 1.00 0.00 C ATOM 399 NZ LYS A 49 -13.685 8.474 7.811 1.00 0.00 N ATOM 0 H LYS A 49 -11.640 9.824 1.035 1.00 0.00 H new ATOM 0 HA LYS A 49 -13.727 8.265 2.509 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -12.029 10.676 3.213 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -13.483 10.279 4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.448 8.095 3.767 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -11.024 9.423 4.830 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.635 7.902 5.168 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.139 7.312 5.865 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.903 9.407 7.188 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.358 10.053 6.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.804 9.120 8.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.618 8.232 7.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.208 7.607 8.130 1.00 0.00 H new ATOM 400 N GLU A 50 -15.398 9.419 0.934 1.00 0.00 N ATOM 401 CA GLU A 50 -16.781 9.925 0.709 1.00 0.00 C ATOM 402 C GLU A 50 -17.574 8.847 -0.079 1.00 0.00 C ATOM 403 O GLU A 50 -17.508 8.792 -1.311 1.00 0.00 O ATOM 404 CB GLU A 50 -17.011 11.347 0.115 1.00 0.00 C ATOM 405 CG GLU A 50 -16.524 11.723 -1.308 1.00 0.00 C ATOM 406 CD GLU A 50 -15.016 11.638 -1.556 1.00 0.00 C ATOM 407 OE1 GLU A 50 -14.286 12.589 -1.195 1.00 0.00 O ATOM 408 OE2 GLU A 50 -14.552 10.619 -2.112 1.00 0.00 O ATOM 0 H GLU A 50 -15.227 8.509 0.507 1.00 0.00 H new ATOM 0 HA GLU A 50 -17.151 10.091 1.721 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -18.085 11.530 0.140 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -16.551 12.055 0.804 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -17.025 11.071 -2.024 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -16.849 12.741 -1.522 1.00 0.00 H new ATOM 409 N LYS A 51 -18.318 7.998 0.657 1.00 0.00 N ATOM 410 CA LYS A 51 -19.119 6.868 0.110 1.00 0.00 C ATOM 411 C LYS A 51 -18.289 5.852 -0.728 1.00 0.00 C ATOM 412 O LYS A 51 -17.788 6.144 -1.818 1.00 0.00 O ATOM 413 CB LYS A 51 -20.405 7.202 -0.684 1.00 0.00 C ATOM 414 CG LYS A 51 -21.413 8.183 -0.048 1.00 0.00 C ATOM 415 CD LYS A 51 -22.746 8.317 -0.827 1.00 0.00 C ATOM 416 CE LYS A 51 -22.667 8.907 -2.251 1.00 0.00 C ATOM 417 NZ LYS A 51 -22.387 10.355 -2.250 1.00 0.00 N ATOM 0 H LYS A 51 -18.385 8.074 1.672 1.00 0.00 H new ATOM 0 HA LYS A 51 -19.449 6.426 1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.105 7.610 -1.649 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -20.928 6.266 -0.882 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -21.630 7.855 0.968 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.948 9.166 0.027 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -23.200 7.328 -0.894 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -23.421 8.939 -0.239 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -21.888 8.390 -2.812 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -23.608 8.723 -2.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -22.344 10.701 -3.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -23.143 10.854 -1.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -21.476 10.532 -1.780 1.00 0.00 H new ATOM 418 N GLU A 52 -18.286 4.629 -0.212 1.00 0.00 N ATOM 419 CA GLU A 52 -17.981 3.385 -0.982 1.00 0.00 C ATOM 420 C GLU A 52 -16.533 3.356 -1.572 1.00 0.00 C ATOM 421 O GLU A 52 -16.248 3.959 -2.612 1.00 0.00 O ATOM 422 CB GLU A 52 -19.073 3.054 -2.042 1.00 0.00 C ATOM 423 CG GLU A 52 -20.487 2.805 -1.459 1.00 0.00 C ATOM 424 CD GLU A 52 -21.570 2.697 -2.534 1.00 0.00 C ATOM 425 OE1 GLU A 52 -21.964 3.740 -3.100 1.00 0.00 O ATOM 426 OE2 GLU A 52 -22.042 1.572 -2.811 1.00 0.00 O ATOM 0 H GLU A 52 -18.497 4.449 0.770 1.00 0.00 H new ATOM 0 HA GLU A 52 -18.009 2.576 -0.252 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -19.129 3.876 -2.755 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -18.763 2.169 -2.599 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -20.474 1.887 -0.871 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -20.740 3.617 -0.777 1.00 0.00 H new ATOM 427 N THR A 53 -15.634 2.644 -0.877 1.00 0.00 N ATOM 428 CA THR A 53 -14.188 2.554 -1.230 1.00 0.00 C ATOM 429 C THR A 53 -13.967 1.605 -2.449 1.00 0.00 C ATOM 430 O THR A 53 -14.650 0.580 -2.561 1.00 0.00 O ATOM 431 CB THR A 53 -13.454 2.060 0.055 1.00 0.00 C ATOM 432 OG1 THR A 53 -13.756 2.889 1.179 1.00 0.00 O ATOM 433 CG2 THR A 53 -11.930 2.058 -0.047 1.00 0.00 C ATOM 0 H THR A 53 -15.880 2.106 -0.046 1.00 0.00 H new ATOM 0 HA THR A 53 -13.789 3.519 -1.542 1.00 0.00 H new ATOM 0 HB THR A 53 -13.815 1.038 0.173 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.283 2.554 1.969 1.00 0.00 H new ATOM 0 HG21 THR A 53 -11.503 1.701 0.890 1.00 0.00 H new ATOM 0 HG22 THR A 53 -11.621 1.402 -0.860 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.577 3.070 -0.244 1.00 0.00 H new ATOM 434 N PHE A 54 -12.999 1.919 -3.346 1.00 0.00 N ATOM 435 CA PHE A 54 -12.679 1.021 -4.492 1.00 0.00 C ATOM 436 C PHE A 54 -11.695 -0.078 -4.000 1.00 0.00 C ATOM 437 O PHE A 54 -10.570 0.229 -3.597 1.00 0.00 O ATOM 438 CB PHE A 54 -12.162 1.831 -5.717 1.00 0.00 C ATOM 439 CG PHE A 54 -11.849 1.008 -6.993 1.00 0.00 C ATOM 440 CD1 PHE A 54 -12.835 0.222 -7.602 1.00 0.00 C ATOM 441 CD2 PHE A 54 -10.559 1.023 -7.538 1.00 0.00 C ATOM 442 CE1 PHE A 54 -12.526 -0.567 -8.708 1.00 0.00 C ATOM 443 CE2 PHE A 54 -10.252 0.235 -8.643 1.00 0.00 C ATOM 444 CZ PHE A 54 -11.233 -0.563 -9.226 1.00 0.00 C ATOM 0 H PHE A 54 -12.435 2.768 -3.304 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.579 0.522 -4.850 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -12.907 2.586 -5.969 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -11.258 2.362 -5.421 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -13.842 0.227 -7.212 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -9.798 1.650 -7.098 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.289 -1.181 -9.163 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -9.251 0.242 -9.049 1.00 0.00 H new ATOM 0 HZ PHE A 54 -10.991 -1.179 -10.080 1.00 0.00 H new ATOM 445 N LYS A 55 -12.155 -1.342 -4.006 1.00 0.00 N ATOM 446 CA LYS A 55 -11.374 -2.490 -3.477 1.00 0.00 C ATOM 447 C LYS A 55 -11.566 -3.733 -4.387 1.00 0.00 C ATOM 448 O LYS A 55 -12.694 -4.138 -4.694 1.00 0.00 O ATOM 449 CB LYS A 55 -11.753 -2.842 -2.010 1.00 0.00 C ATOM 450 CG LYS A 55 -11.343 -1.793 -0.949 1.00 0.00 C ATOM 451 CD LYS A 55 -11.469 -2.268 0.512 1.00 0.00 C ATOM 452 CE LYS A 55 -12.919 -2.459 0.991 1.00 0.00 C ATOM 453 NZ LYS A 55 -12.972 -2.897 2.395 1.00 0.00 N ATOM 0 H LYS A 55 -13.070 -1.602 -4.373 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.326 -2.191 -3.478 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.832 -2.986 -1.956 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.291 -3.795 -1.752 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.310 -1.496 -1.132 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.959 -0.903 -1.081 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.934 -3.211 0.623 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.976 -1.544 1.161 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.466 -1.523 0.880 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.417 -3.195 0.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.964 -3.016 2.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.471 -3.803 2.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.518 -2.182 2.999 1.00 0.00 H new ATOM 454 N GLU A 56 -10.438 -4.380 -4.733 1.00 0.00 N ATOM 455 CA GLU A 56 -10.421 -5.779 -5.247 1.00 0.00 C ATOM 456 C GLU A 56 -10.599 -6.802 -4.082 1.00 0.00 C ATOM 457 O GLU A 56 -11.548 -7.588 -4.111 1.00 0.00 O ATOM 458 CB GLU A 56 -9.114 -5.993 -6.066 1.00 0.00 C ATOM 459 CG GLU A 56 -9.010 -7.298 -6.886 1.00 0.00 C ATOM 460 CD GLU A 56 -9.917 -7.322 -8.120 1.00 0.00 C ATOM 461 OE1 GLU A 56 -9.510 -6.800 -9.179 1.00 0.00 O ATOM 462 OE2 GLU A 56 -11.042 -7.863 -8.030 1.00 0.00 O ATOM 0 H GLU A 56 -9.512 -3.958 -4.668 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.265 -5.951 -5.915 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.001 -5.152 -6.750 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.271 -5.958 -5.376 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.976 -7.437 -7.203 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.262 -8.142 -6.244 1.00 0.00 H new ATOM 463 N LYS A 57 -9.716 -6.752 -3.053 1.00 0.00 N ATOM 464 CA LYS A 57 -9.898 -7.432 -1.745 1.00 0.00 C ATOM 465 C LYS A 57 -9.625 -8.957 -1.836 1.00 0.00 C ATOM 466 O LYS A 57 -10.540 -9.746 -2.101 1.00 0.00 O ATOM 467 CB LYS A 57 -11.225 -7.036 -1.028 1.00 0.00 C ATOM 468 CG LYS A 57 -11.323 -7.405 0.471 1.00 0.00 C ATOM 469 CD LYS A 57 -12.477 -6.703 1.220 1.00 0.00 C ATOM 470 CE LYS A 57 -13.888 -7.024 0.686 1.00 0.00 C ATOM 471 NZ LYS A 57 -14.936 -6.353 1.476 1.00 0.00 N ATOM 0 H LYS A 57 -8.842 -6.229 -3.110 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.126 -7.053 -1.075 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.360 -5.959 -1.126 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.054 -7.510 -1.553 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.449 -8.484 0.561 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.381 -7.153 0.958 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.431 -6.982 2.273 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.321 -5.625 1.169 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.962 -6.713 -0.356 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.049 -8.102 0.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.870 -6.592 1.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.881 -6.669 2.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.797 -5.323 1.434 1.00 0.00 H new ATOM 472 N ASP A 58 -8.370 -9.356 -1.552 1.00 0.00 N ATOM 473 CA ASP A 58 -8.019 -10.757 -1.202 1.00 0.00 C ATOM 474 C ASP A 58 -8.219 -10.906 0.329 1.00 0.00 C ATOM 475 O ASP A 58 -9.332 -11.123 0.812 1.00 0.00 O ATOM 476 CB ASP A 58 -6.607 -11.128 -1.757 1.00 0.00 C ATOM 477 CG ASP A 58 -6.571 -11.546 -3.231 1.00 0.00 C ATOM 478 OD1 ASP A 58 -6.477 -10.656 -4.109 1.00 0.00 O ATOM 479 OD2 ASP A 58 -6.636 -12.760 -3.517 1.00 0.00 O ATOM 0 H ASP A 58 -7.570 -8.723 -1.557 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.668 -11.491 -1.679 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.946 -10.272 -1.623 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.201 -11.941 -1.156 1.00 0.00 H new ATOM 480 N THR A 59 -7.150 -10.643 1.075 1.00 0.00 N ATOM 481 CA THR A 59 -7.231 -9.748 2.255 1.00 0.00 C ATOM 482 C THR A 59 -6.407 -8.461 1.962 1.00 0.00 C ATOM 483 O THR A 59 -5.571 -8.055 2.770 1.00 0.00 O ATOM 484 CB THR A 59 -6.959 -10.507 3.586 1.00 0.00 C ATOM 485 OG1 THR A 59 -5.980 -11.514 3.381 1.00 0.00 O ATOM 486 CG2 THR A 59 -8.208 -11.185 4.183 1.00 0.00 C ATOM 0 H THR A 59 -6.221 -11.026 0.897 1.00 0.00 H new ATOM 0 HA THR A 59 -8.248 -9.394 2.427 1.00 0.00 H new ATOM 0 HB THR A 59 -6.620 -9.747 4.290 1.00 0.00 H new ATOM 0 HG1 THR A 59 -6.268 -12.343 3.817 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.939 -11.693 5.109 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.967 -10.431 4.391 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.603 -11.911 3.472 1.00 0.00 H new ATOM 487 N TYR A 60 -6.726 -7.794 0.818 1.00 0.00 N ATOM 488 CA TYR A 60 -6.136 -6.485 0.426 1.00 0.00 C ATOM 489 C TYR A 60 -6.951 -5.326 1.071 1.00 0.00 C ATOM 490 O TYR A 60 -8.169 -5.232 0.885 1.00 0.00 O ATOM 491 CB TYR A 60 -6.155 -6.316 -1.131 1.00 0.00 C ATOM 492 CG TYR A 60 -4.847 -6.599 -1.880 1.00 0.00 C ATOM 493 CD1 TYR A 60 -4.244 -7.854 -1.820 1.00 0.00 C ATOM 494 CD2 TYR A 60 -4.283 -5.607 -2.694 1.00 0.00 C ATOM 495 CE1 TYR A 60 -3.098 -8.122 -2.562 1.00 0.00 C ATOM 496 CE2 TYR A 60 -3.119 -5.867 -3.411 1.00 0.00 C ATOM 497 CZ TYR A 60 -2.532 -7.126 -3.350 1.00 0.00 C ATOM 498 OH TYR A 60 -1.382 -7.409 -4.033 1.00 0.00 O ATOM 0 H TYR A 60 -7.401 -8.151 0.142 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.104 -6.455 0.776 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.925 -6.975 -1.533 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.460 -5.294 -1.357 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.669 -8.624 -1.193 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.753 -4.637 -2.765 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.648 -9.103 -2.526 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.672 -5.091 -4.015 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.102 -6.620 -4.542 1.00 0.00 H new ATOM 499 N LYS A 61 -6.258 -4.443 1.810 1.00 0.00 N ATOM 500 CA LYS A 61 -6.890 -3.290 2.509 1.00 0.00 C ATOM 501 C LYS A 61 -5.895 -2.099 2.429 1.00 0.00 C ATOM 502 O LYS A 61 -4.954 -2.044 3.224 1.00 0.00 O ATOM 503 CB LYS A 61 -7.260 -3.650 3.987 1.00 0.00 C ATOM 504 CG LYS A 61 -8.358 -4.728 4.182 1.00 0.00 C ATOM 505 CD LYS A 61 -8.565 -5.167 5.643 1.00 0.00 C ATOM 506 CE LYS A 61 -9.533 -6.363 5.755 1.00 0.00 C ATOM 507 NZ LYS A 61 -9.733 -6.783 7.153 1.00 0.00 N ATOM 0 H LYS A 61 -5.249 -4.500 1.945 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.830 -3.020 2.029 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.356 -3.989 4.492 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.584 -2.738 4.490 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.301 -4.343 3.794 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.101 -5.603 3.585 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.604 -5.436 6.080 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.955 -4.330 6.222 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.494 -6.094 5.316 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.142 -7.201 5.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.390 -7.589 7.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.820 -7.065 7.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.130 -5.992 7.700 1.00 0.00 H new ATOM 508 N LEU A 62 -6.091 -1.162 1.465 1.00 0.00 N ATOM 509 CA LEU A 62 -5.087 -0.097 1.155 1.00 0.00 C ATOM 510 C LEU A 62 -5.196 1.098 2.166 1.00 0.00 C ATOM 511 O LEU A 62 -5.888 2.073 1.886 1.00 0.00 O ATOM 512 CB LEU A 62 -5.003 0.353 -0.354 1.00 0.00 C ATOM 513 CG LEU A 62 -5.556 -0.433 -1.594 1.00 0.00 C ATOM 514 CD1 LEU A 62 -5.088 0.269 -2.885 1.00 0.00 C ATOM 515 CD2 LEU A 62 -5.071 -1.885 -1.680 1.00 0.00 C ATOM 0 H LEU A 62 -6.931 -1.118 0.888 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.116 -0.570 1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.479 1.333 -0.393 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.943 0.506 -0.554 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.640 -0.443 -1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.469 -0.272 -3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.466 1.291 -2.901 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.999 0.284 -2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.497 -2.359 -2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.983 -1.902 -1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.387 -2.428 -0.789 1.00 0.00 H new ATOM 516 N PHE A 63 -4.546 1.043 3.355 1.00 0.00 N ATOM 517 CA PHE A 63 -4.932 1.880 4.530 1.00 0.00 C ATOM 518 C PHE A 63 -4.770 3.428 4.372 1.00 0.00 C ATOM 519 O PHE A 63 -3.948 3.915 3.589 1.00 0.00 O ATOM 520 CB PHE A 63 -4.115 1.349 5.744 1.00 0.00 C ATOM 521 CG PHE A 63 -4.696 1.673 7.133 1.00 0.00 C ATOM 522 CD1 PHE A 63 -5.921 1.131 7.537 1.00 0.00 C ATOM 523 CD2 PHE A 63 -4.014 2.537 7.998 1.00 0.00 C ATOM 524 CE1 PHE A 63 -6.448 1.436 8.788 1.00 0.00 C ATOM 525 CE2 PHE A 63 -4.541 2.843 9.247 1.00 0.00 C ATOM 526 CZ PHE A 63 -5.759 2.291 9.645 1.00 0.00 C ATOM 0 H PHE A 63 -3.751 0.429 3.531 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.009 1.773 4.661 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.024 0.267 5.652 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.107 1.759 5.687 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.461 0.472 6.874 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.072 2.969 7.693 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.392 1.010 9.095 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -4.008 3.508 9.910 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.167 2.526 10.617 1.00 0.00 H new ATOM 527 N LYS A 64 -5.567 4.179 5.164 1.00 0.00 N ATOM 528 CA LYS A 64 -5.569 5.671 5.167 1.00 0.00 C ATOM 529 C LYS A 64 -4.254 6.364 5.646 1.00 0.00 C ATOM 530 O LYS A 64 -3.868 7.365 5.031 1.00 0.00 O ATOM 531 CB LYS A 64 -6.820 6.205 5.925 1.00 0.00 C ATOM 532 CG LYS A 64 -7.102 7.712 5.707 1.00 0.00 C ATOM 533 CD LYS A 64 -8.268 8.280 6.543 1.00 0.00 C ATOM 534 CE LYS A 64 -8.511 9.791 6.322 1.00 0.00 C ATOM 535 NZ LYS A 64 -7.480 10.639 6.956 1.00 0.00 N ATOM 0 H LYS A 64 -6.231 3.773 5.823 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.622 5.954 4.116 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.693 5.634 5.608 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.689 6.022 6.992 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.198 8.274 5.941 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.316 7.878 4.651 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.179 7.734 6.298 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.066 8.104 7.600 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.536 9.997 5.252 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.490 10.058 6.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.695 11.640 6.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.471 10.467 7.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.547 10.407 6.558 1.00 0.00 H new ATOM 536 N ASN A 65 -3.558 5.873 6.693 1.00 0.00 N ATOM 537 CA ASN A 65 -2.226 6.355 7.117 1.00 0.00 C ATOM 538 C ASN A 65 -1.155 6.437 5.975 1.00 0.00 C ATOM 539 O ASN A 65 -0.451 7.443 5.841 1.00 0.00 O ATOM 540 CB ASN A 65 -1.740 5.513 8.333 1.00 0.00 C ATOM 541 CG ASN A 65 -0.547 6.101 9.111 1.00 0.00 C ATOM 542 OD1 ASN A 65 0.608 5.746 8.876 1.00 0.00 O ATOM 543 ND2 ASN A 65 -0.796 7.002 10.049 1.00 0.00 N ATOM 0 H ASN A 65 -3.912 5.117 7.278 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.347 7.396 7.416 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.575 5.387 9.023 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.466 4.519 7.979 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.028 7.408 10.583 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.756 7.290 10.237 1.00 0.00 H new ATOM 544 N GLY A 66 -1.094 5.365 5.168 1.00 0.00 N ATOM 545 CA GLY A 66 -0.326 5.317 3.904 1.00 0.00 C ATOM 546 C GLY A 66 0.265 3.915 3.659 1.00 0.00 C ATOM 547 O GLY A 66 1.489 3.770 3.631 1.00 0.00 O ATOM 0 H GLY A 66 -1.582 4.493 5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.974 5.591 3.072 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.478 6.052 3.937 1.00 0.00 H new ATOM 548 N THR A 67 -0.602 2.883 3.533 1.00 0.00 N ATOM 549 CA THR A 67 -0.199 1.458 3.696 1.00 0.00 C ATOM 550 C THR A 67 -1.118 0.540 2.806 1.00 0.00 C ATOM 551 O THR A 67 -2.011 0.999 2.092 1.00 0.00 O ATOM 552 CB THR A 67 -0.147 1.183 5.246 1.00 0.00 C ATOM 553 OG1 THR A 67 1.041 1.760 5.784 1.00 0.00 O ATOM 554 CG2 THR A 67 -0.170 -0.279 5.695 1.00 0.00 C ATOM 0 H THR A 67 -1.591 3.008 3.318 1.00 0.00 H new ATOM 0 HA THR A 67 0.796 1.217 3.321 1.00 0.00 H new ATOM 0 HB THR A 67 -1.072 1.627 5.615 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.078 1.593 6.749 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.129 -0.326 6.783 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.087 -0.753 5.345 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.690 -0.802 5.277 1.00 0.00 H new ATOM 555 N LEU A 68 -0.830 -0.777 2.795 1.00 0.00 N ATOM 556 CA LEU A 68 -1.665 -1.820 2.156 1.00 0.00 C ATOM 557 C LEU A 68 -1.352 -3.165 2.862 1.00 0.00 C ATOM 558 O LEU A 68 -0.355 -3.791 2.509 1.00 0.00 O ATOM 559 CB LEU A 68 -1.341 -1.832 0.630 1.00 0.00 C ATOM 560 CG LEU A 68 -2.040 -2.832 -0.327 1.00 0.00 C ATOM 561 CD1 LEU A 68 -1.600 -2.580 -1.787 1.00 0.00 C ATOM 562 CD2 LEU A 68 -1.878 -4.326 -0.036 1.00 0.00 C ATOM 0 H LEU A 68 0.007 -1.156 3.239 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.734 -1.633 2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.548 -0.831 0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.268 -1.994 0.533 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.095 -2.621 -0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.100 -3.290 -2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.869 -1.565 -2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.521 -2.707 -1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.420 -4.903 -0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.821 -4.590 -0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.278 -4.549 0.953 1.00 0.00 H new ATOM 563 N LYS A 69 -2.214 -3.678 3.768 1.00 0.00 N ATOM 564 CA LYS A 69 -2.048 -5.062 4.302 1.00 0.00 C ATOM 565 C LYS A 69 -2.609 -6.112 3.293 1.00 0.00 C ATOM 566 O LYS A 69 -3.782 -6.056 2.924 1.00 0.00 O ATOM 567 CB LYS A 69 -2.627 -5.199 5.739 1.00 0.00 C ATOM 568 CG LYS A 69 -2.329 -6.577 6.401 1.00 0.00 C ATOM 569 CD LYS A 69 -2.522 -6.664 7.930 1.00 0.00 C ATOM 570 CE LYS A 69 -1.323 -6.109 8.725 1.00 0.00 C ATOM 571 NZ LYS A 69 -1.518 -6.215 10.184 1.00 0.00 N ATOM 0 H LYS A 69 -3.017 -3.173 4.143 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.983 -5.272 4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.215 -4.408 6.365 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.706 -5.048 5.703 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.969 -7.325 5.933 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.299 -6.850 6.171 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.421 -6.114 8.208 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.686 -7.704 8.211 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.421 -6.651 8.441 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.165 -5.064 8.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.686 -5.829 10.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.364 -5.677 10.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.642 -7.214 10.446 1.00 0.00 H new ATOM 572 N ILE A 70 -1.738 -7.050 2.878 1.00 0.00 N ATOM 573 CA ILE A 70 -2.098 -8.296 2.140 1.00 0.00 C ATOM 574 C ILE A 70 -2.021 -9.391 3.244 1.00 0.00 C ATOM 575 O ILE A 70 -0.925 -9.577 3.795 1.00 0.00 O ATOM 576 CB ILE A 70 -1.072 -8.657 0.984 1.00 0.00 C ATOM 577 CG1 ILE A 70 -0.715 -7.488 0.025 1.00 0.00 C ATOM 578 CG2 ILE A 70 -1.551 -9.906 0.201 1.00 0.00 C ATOM 579 CD1 ILE A 70 0.357 -7.696 -1.068 1.00 0.00 C ATOM 0 H ILE A 70 -0.735 -6.969 3.046 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.066 -8.197 1.649 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.135 -8.882 1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.635 -7.184 -0.474 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.394 -6.648 0.641 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.835 -10.138 -0.587 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.629 -10.754 0.881 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.526 -9.705 -0.242 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.475 -6.777 -1.641 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.307 -7.957 -0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.046 -8.501 -1.734 1.00 0.00 H new ATOM 580 N LYS A 71 -3.103 -10.151 3.541 1.00 0.00 N ATOM 581 CA LYS A 71 -2.927 -11.353 4.440 1.00 0.00 C ATOM 582 C LYS A 71 -2.777 -12.629 3.558 1.00 0.00 C ATOM 583 O LYS A 71 -3.748 -13.116 2.978 1.00 0.00 O ATOM 584 CB LYS A 71 -3.889 -11.508 5.651 1.00 0.00 C ATOM 585 CG LYS A 71 -3.997 -10.269 6.569 1.00 0.00 C ATOM 586 CD LYS A 71 -4.770 -10.501 7.886 1.00 0.00 C ATOM 587 CE LYS A 71 -6.294 -10.641 7.708 1.00 0.00 C ATOM 588 NZ LYS A 71 -6.969 -10.822 9.006 1.00 0.00 N ATOM 0 H LYS A 71 -4.052 -9.984 3.206 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.004 -11.175 4.991 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.883 -11.750 5.276 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.559 -12.357 6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.991 -9.925 6.811 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.484 -9.466 6.015 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.387 -11.402 8.365 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.569 -9.671 8.563 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.688 -9.754 7.211 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.510 -11.491 7.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.994 -10.913 8.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.609 -11.682 9.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.781 -9.999 9.613 1.00 0.00 H new ATOM 589 N HIS A 72 -1.523 -13.121 3.444 1.00 0.00 N ATOM 590 CA HIS A 72 -1.102 -14.252 2.564 1.00 0.00 C ATOM 591 C HIS A 72 -0.680 -13.728 1.165 1.00 0.00 C ATOM 592 O HIS A 72 -1.526 -13.238 0.413 1.00 0.00 O ATOM 593 CB HIS A 72 -2.026 -15.496 2.417 1.00 0.00 C ATOM 594 CG HIS A 72 -2.444 -16.190 3.716 1.00 0.00 C ATOM 595 ND1 HIS A 72 -3.762 -16.410 4.088 1.00 0.00 N ATOM 596 CD2 HIS A 72 -1.574 -16.692 4.708 1.00 0.00 C ATOM 597 CE1 HIS A 72 -3.571 -17.025 5.296 1.00 0.00 C ATOM 598 NE2 HIS A 72 -2.297 -17.236 5.754 1.00 0.00 N ATOM 0 H HIS A 72 -0.744 -12.734 3.977 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.264 -14.662 3.128 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -2.928 -15.191 1.887 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.518 -16.227 1.787 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.496 -16.656 4.657 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -4.419 -17.342 5.884 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -1.974 -17.670 6.619 1.00 0.00 H new ATOM 599 N LEU A 73 0.616 -13.871 0.821 1.00 0.00 N ATOM 600 CA LEU A 73 1.178 -13.490 -0.515 1.00 0.00 C ATOM 601 C LEU A 73 1.367 -14.592 -1.603 1.00 0.00 C ATOM 602 O LEU A 73 2.131 -14.451 -2.558 1.00 0.00 O ATOM 603 CB LEU A 73 2.484 -12.668 -0.286 1.00 0.00 C ATOM 604 CG LEU A 73 3.793 -13.525 -0.190 1.00 0.00 C ATOM 605 CD1 LEU A 73 4.743 -13.235 -1.348 1.00 0.00 C ATOM 606 CD2 LEU A 73 4.507 -13.474 1.148 1.00 0.00 C ATOM 0 H LEU A 73 1.315 -14.255 1.457 1.00 0.00 H new ATOM 0 HA LEU A 73 0.386 -12.901 -0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.594 -11.953 -1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.377 -12.091 0.632 1.00 0.00 H new ATOM 0 HG LEU A 73 3.448 -14.556 -0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.638 -13.848 -1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.249 -13.468 -2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.021 -12.181 -1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.399 -14.100 1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.795 -12.446 1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.841 -13.840 1.930 1.00 0.00 H new ATOM 607 N LYS A 74 0.611 -15.652 -1.450 1.00 0.00 N ATOM 608 CA LYS A 74 0.428 -16.756 -2.452 1.00 0.00 C ATOM 609 C LYS A 74 0.270 -16.262 -3.915 1.00 0.00 C ATOM 610 O LYS A 74 -0.044 -15.098 -4.173 1.00 0.00 O ATOM 611 CB LYS A 74 -0.658 -17.796 -2.073 1.00 0.00 C ATOM 612 CG LYS A 74 -2.087 -17.294 -1.761 1.00 0.00 C ATOM 613 CD LYS A 74 -3.042 -18.379 -1.221 1.00 0.00 C ATOM 614 CE LYS A 74 -2.897 -18.649 0.290 1.00 0.00 C ATOM 615 NZ LYS A 74 -3.751 -19.769 0.719 1.00 0.00 N ATOM 0 H LYS A 74 0.070 -15.806 -0.599 1.00 0.00 H new ATOM 0 HA LYS A 74 1.377 -17.290 -2.409 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.730 -18.512 -2.891 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.302 -18.344 -1.200 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.024 -16.487 -1.031 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.516 -16.869 -2.669 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.069 -18.080 -1.429 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.864 -19.307 -1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.856 -18.873 0.523 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.163 -17.752 0.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.631 -19.926 1.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.746 -19.544 0.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.480 -20.630 0.202 1.00 0.00 H new ATOM 616 N THR A 75 0.609 -17.139 -4.862 1.00 0.00 N ATOM 617 CA THR A 75 0.971 -16.716 -6.237 1.00 0.00 C ATOM 618 C THR A 75 -0.139 -15.925 -7.015 1.00 0.00 C ATOM 619 O THR A 75 0.159 -14.924 -7.672 1.00 0.00 O ATOM 620 CB THR A 75 1.587 -17.899 -7.042 1.00 0.00 C ATOM 621 OG1 THR A 75 2.697 -18.446 -6.339 1.00 0.00 O ATOM 622 CG2 THR A 75 2.093 -17.543 -8.455 1.00 0.00 C ATOM 0 H THR A 75 0.644 -18.147 -4.713 1.00 0.00 H new ATOM 0 HA THR A 75 1.748 -15.961 -6.117 1.00 0.00 H new ATOM 0 HB THR A 75 0.761 -18.601 -7.152 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.075 -19.190 -6.853 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.502 -18.434 -8.930 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.265 -17.161 -9.052 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.870 -16.782 -8.382 1.00 0.00 H new ATOM 623 N ASP A 76 -1.396 -16.371 -6.865 1.00 0.00 N ATOM 624 CA ASP A 76 -2.605 -15.604 -7.296 1.00 0.00 C ATOM 625 C ASP A 76 -3.188 -14.567 -6.267 1.00 0.00 C ATOM 626 O ASP A 76 -4.001 -13.734 -6.679 1.00 0.00 O ATOM 627 CB ASP A 76 -3.651 -16.648 -7.780 1.00 0.00 C ATOM 628 CG ASP A 76 -4.840 -16.079 -8.573 1.00 0.00 C ATOM 629 OD1 ASP A 76 -4.680 -15.798 -9.780 1.00 0.00 O ATOM 630 OD2 ASP A 76 -5.931 -15.909 -7.987 1.00 0.00 O ATOM 0 H ASP A 76 -1.617 -17.273 -6.443 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.305 -14.934 -8.102 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.142 -17.385 -8.402 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.038 -17.178 -6.910 1.00 0.00 H new ATOM 631 N ASP A 77 -2.761 -14.547 -4.985 1.00 0.00 N ATOM 632 CA ASP A 77 -2.937 -13.365 -4.093 1.00 0.00 C ATOM 633 C ASP A 77 -2.200 -12.069 -4.549 1.00 0.00 C ATOM 634 O ASP A 77 -2.761 -10.997 -4.299 1.00 0.00 O ATOM 635 CB ASP A 77 -2.592 -13.711 -2.600 1.00 0.00 C ATOM 636 CG ASP A 77 -3.813 -14.121 -1.761 1.00 0.00 C ATOM 637 OD1 ASP A 77 -4.487 -15.115 -2.109 1.00 0.00 O ATOM 638 OD2 ASP A 77 -4.111 -13.445 -0.749 1.00 0.00 O ATOM 0 H ASP A 77 -2.291 -15.334 -4.538 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.998 -13.127 -4.171 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.863 -14.521 -2.584 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.118 -12.846 -2.136 1.00 0.00 H new ATOM 639 N GLN A 78 -0.990 -12.123 -5.168 1.00 0.00 N ATOM 640 CA GLN A 78 -0.142 -10.895 -5.335 1.00 0.00 C ATOM 641 C GLN A 78 0.159 -10.481 -6.809 1.00 0.00 C ATOM 642 O GLN A 78 -0.184 -11.183 -7.764 1.00 0.00 O ATOM 643 CB GLN A 78 1.091 -11.006 -4.398 1.00 0.00 C ATOM 644 CG GLN A 78 2.088 -12.164 -4.641 1.00 0.00 C ATOM 645 CD GLN A 78 3.190 -12.021 -5.704 1.00 0.00 C ATOM 646 OE1 GLN A 78 4.359 -11.882 -5.362 1.00 0.00 O ATOM 647 NE2 GLN A 78 2.906 -12.160 -6.989 1.00 0.00 N ATOM 0 H GLN A 78 -0.582 -12.975 -5.552 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.726 -10.032 -5.017 1.00 0.00 H new ATOM 0 HB2 GLN A 78 1.645 -10.070 -4.463 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.726 -11.090 -3.374 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.580 -12.373 -3.691 1.00 0.00 H new ATOM 0 HG3 GLN A 78 1.503 -13.047 -4.898 1.00 0.00 H new ATOM 0 HE21 GLN A 78 1.938 -12.277 -7.288 1.00 0.00 H new ATOM 0 HE22 GLN A 78 3.655 -12.151 -7.681 1.00 0.00 H new ATOM 648 N ASP A 79 0.788 -9.293 -6.967 1.00 0.00 N ATOM 649 CA ASP A 79 1.020 -8.636 -8.290 1.00 0.00 C ATOM 650 C ASP A 79 2.235 -7.641 -8.221 1.00 0.00 C ATOM 651 O ASP A 79 2.768 -7.337 -7.150 1.00 0.00 O ATOM 652 CB ASP A 79 -0.289 -7.873 -8.653 1.00 0.00 C ATOM 653 CG ASP A 79 -0.482 -7.476 -10.120 1.00 0.00 C ATOM 654 OD1 ASP A 79 -0.613 -8.370 -10.987 1.00 0.00 O ATOM 655 OD2 ASP A 79 -0.509 -6.262 -10.411 1.00 0.00 O ATOM 0 H ASP A 79 1.153 -8.755 -6.181 1.00 0.00 H new ATOM 0 HA ASP A 79 1.262 -9.381 -9.048 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.135 -8.493 -8.356 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.331 -6.967 -8.049 1.00 0.00 H new ATOM 656 N ILE A 80 2.606 -7.064 -9.385 1.00 0.00 N ATOM 657 CA ILE A 80 3.498 -5.864 -9.465 1.00 0.00 C ATOM 658 C ILE A 80 2.662 -4.564 -9.186 1.00 0.00 C ATOM 659 O ILE A 80 1.464 -4.499 -9.483 1.00 0.00 O ATOM 660 CB ILE A 80 4.276 -5.844 -10.835 1.00 0.00 C ATOM 661 CG1 ILE A 80 5.171 -7.107 -11.053 1.00 0.00 C ATOM 662 CG2 ILE A 80 5.150 -4.572 -10.994 1.00 0.00 C ATOM 663 CD1 ILE A 80 5.640 -7.348 -12.498 1.00 0.00 C ATOM 0 H ILE A 80 2.303 -7.407 -10.296 1.00 0.00 H new ATOM 0 HA ILE A 80 4.265 -5.911 -8.692 1.00 0.00 H new ATOM 0 HB ILE A 80 3.496 -5.843 -11.597 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.050 -7.022 -10.414 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.618 -7.984 -10.719 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.667 -4.603 -11.953 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.515 -3.687 -10.952 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.883 -4.531 -10.188 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.253 -8.248 -12.536 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.772 -7.472 -13.146 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.227 -6.495 -12.837 1.00 0.00 H new ATOM 664 N TYR A 81 3.304 -3.527 -8.595 1.00 0.00 N ATOM 665 CA TYR A 81 2.602 -2.291 -8.139 1.00 0.00 C ATOM 666 C TYR A 81 3.354 -0.960 -8.432 1.00 0.00 C ATOM 667 O TYR A 81 4.526 -0.912 -8.804 1.00 0.00 O ATOM 668 CB TYR A 81 2.279 -2.418 -6.617 1.00 0.00 C ATOM 669 CG TYR A 81 1.001 -3.209 -6.337 1.00 0.00 C ATOM 670 CD1 TYR A 81 -0.269 -2.744 -6.703 1.00 0.00 C ATOM 671 CD2 TYR A 81 1.146 -4.519 -5.896 1.00 0.00 C ATOM 672 CE1 TYR A 81 -1.340 -3.628 -6.746 1.00 0.00 C ATOM 673 CE2 TYR A 81 0.077 -5.396 -5.916 1.00 0.00 C ATOM 674 CZ TYR A 81 -1.166 -4.958 -6.369 1.00 0.00 C ATOM 675 OH TYR A 81 -2.198 -5.849 -6.501 1.00 0.00 O ATOM 0 H TYR A 81 4.309 -3.517 -8.420 1.00 0.00 H new ATOM 0 HA TYR A 81 1.688 -2.225 -8.729 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.116 -2.902 -6.114 1.00 0.00 H new ATOM 0 HB3 TYR A 81 2.183 -1.421 -6.188 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.415 -1.703 -6.951 1.00 0.00 H new ATOM 0 HD2 TYR A 81 2.106 -4.856 -5.533 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.310 -3.283 -7.073 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.205 -6.415 -5.582 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.632 -5.979 -5.632 1.00 0.00 H new ATOM 676 N LYS A 82 2.607 0.142 -8.238 1.00 0.00 N ATOM 677 CA LYS A 82 3.107 1.525 -8.368 1.00 0.00 C ATOM 678 C LYS A 82 2.076 2.409 -7.614 1.00 0.00 C ATOM 679 O LYS A 82 0.882 2.426 -7.941 1.00 0.00 O ATOM 680 CB LYS A 82 3.295 1.893 -9.867 1.00 0.00 C ATOM 681 CG LYS A 82 3.611 3.368 -10.223 1.00 0.00 C ATOM 682 CD LYS A 82 2.381 4.180 -10.695 1.00 0.00 C ATOM 683 CE LYS A 82 2.735 5.605 -11.156 1.00 0.00 C ATOM 684 NZ LYS A 82 1.547 6.313 -11.670 1.00 0.00 N ATOM 0 H LYS A 82 1.621 0.097 -7.982 1.00 0.00 H new ATOM 0 HA LYS A 82 4.094 1.672 -7.930 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.100 1.275 -10.264 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.385 1.610 -10.396 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.043 3.857 -9.350 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.369 3.387 -11.006 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.897 3.650 -11.515 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.658 4.238 -9.881 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.162 6.164 -10.323 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.498 5.559 -11.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.657 7.335 -11.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.446 6.128 -12.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.699 5.976 -11.171 1.00 0.00 H new ATOM 685 N VAL A 83 2.580 3.145 -6.607 1.00 0.00 N ATOM 686 CA VAL A 83 1.753 4.047 -5.761 1.00 0.00 C ATOM 687 C VAL A 83 1.734 5.485 -6.348 1.00 0.00 C ATOM 688 O VAL A 83 2.776 6.045 -6.718 1.00 0.00 O ATOM 689 CB VAL A 83 2.207 3.983 -4.265 1.00 0.00 C ATOM 690 CG1 VAL A 83 3.566 4.634 -3.923 1.00 0.00 C ATOM 691 CG2 VAL A 83 1.129 4.431 -3.253 1.00 0.00 C ATOM 0 H VAL A 83 3.567 3.137 -6.351 1.00 0.00 H new ATOM 0 HA VAL A 83 0.719 3.702 -5.773 1.00 0.00 H new ATOM 0 HB VAL A 83 2.362 2.910 -4.151 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.765 4.522 -2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.357 4.146 -4.493 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.536 5.693 -4.178 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.526 4.356 -2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.846 5.464 -3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.253 3.790 -3.347 1.00 0.00 H new ATOM 692 N SER A 84 0.535 6.077 -6.342 1.00 0.00 N ATOM 693 CA SER A 84 0.364 7.550 -6.365 1.00 0.00 C ATOM 694 C SER A 84 -0.364 7.962 -5.055 1.00 0.00 C ATOM 695 O SER A 84 -1.235 7.255 -4.527 1.00 0.00 O ATOM 696 CB SER A 84 -0.450 8.018 -7.589 1.00 0.00 C ATOM 697 OG SER A 84 0.119 7.566 -8.812 1.00 0.00 O ATOM 0 H SER A 84 -0.344 5.561 -6.321 1.00 0.00 H new ATOM 0 HA SER A 84 1.344 8.022 -6.437 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.472 7.649 -7.507 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.503 9.107 -7.594 1.00 0.00 H new ATOM 0 HG SER A 84 -0.426 7.881 -9.563 1.00 0.00 H new ATOM 698 N ILE A 85 0.022 9.135 -4.539 1.00 0.00 N ATOM 699 CA ILE A 85 -0.506 9.689 -3.269 1.00 0.00 C ATOM 700 C ILE A 85 -1.186 11.019 -3.706 1.00 0.00 C ATOM 701 O ILE A 85 -0.556 11.894 -4.301 1.00 0.00 O ATOM 702 CB ILE A 85 0.625 9.834 -2.187 1.00 0.00 C ATOM 703 CG1 ILE A 85 1.207 8.457 -1.723 1.00 0.00 C ATOM 704 CG2 ILE A 85 0.128 10.586 -0.926 1.00 0.00 C ATOM 705 CD1 ILE A 85 2.421 7.942 -2.510 1.00 0.00 C ATOM 0 H ILE A 85 0.713 9.736 -4.987 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.225 9.044 -2.764 1.00 0.00 H new ATOM 0 HB ILE A 85 1.410 10.406 -2.682 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.487 8.538 -0.673 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.415 7.710 -1.785 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.941 10.664 -0.205 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.205 11.585 -1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.702 10.039 -0.479 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.739 6.982 -2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.149 7.818 -3.558 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.238 8.659 -2.429 1.00 0.00 H new ATOM 706 N TYR A 86 -2.485 11.128 -3.405 1.00 0.00 N ATOM 707 CA TYR A 86 -3.308 12.318 -3.736 1.00 0.00 C ATOM 708 C TYR A 86 -3.862 12.876 -2.403 1.00 0.00 C ATOM 709 O TYR A 86 -4.271 12.136 -1.498 1.00 0.00 O ATOM 710 CB TYR A 86 -4.471 11.999 -4.712 1.00 0.00 C ATOM 711 CG TYR A 86 -4.138 11.298 -6.052 1.00 0.00 C ATOM 712 CD1 TYR A 86 -3.840 12.031 -7.211 1.00 0.00 C ATOM 713 CD2 TYR A 86 -4.165 9.900 -6.119 1.00 0.00 C ATOM 714 CE1 TYR A 86 -3.568 11.374 -8.407 1.00 0.00 C ATOM 715 CE2 TYR A 86 -3.896 9.247 -7.319 1.00 0.00 C ATOM 716 CZ TYR A 86 -3.595 9.981 -8.459 1.00 0.00 C ATOM 717 OH TYR A 86 -3.322 9.325 -9.633 1.00 0.00 O ATOM 0 H TYR A 86 -3.006 10.395 -2.923 1.00 0.00 H new ATOM 0 HA TYR A 86 -2.683 13.048 -4.250 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.189 11.374 -4.180 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -4.976 12.937 -4.945 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.822 13.110 -7.174 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.396 9.325 -5.235 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.336 11.943 -9.295 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -3.921 8.168 -7.363 1.00 0.00 H new ATOM 0 HH TYR A 86 -3.148 8.379 -9.446 1.00 0.00 H new ATOM 718 N ASP A 87 -3.915 14.209 -2.312 1.00 0.00 N ATOM 719 CA ASP A 87 -4.461 14.923 -1.121 1.00 0.00 C ATOM 720 C ASP A 87 -6.017 14.821 -1.002 1.00 0.00 C ATOM 721 O ASP A 87 -6.668 13.997 -1.658 1.00 0.00 O ATOM 722 CB ASP A 87 -3.857 16.360 -1.055 1.00 0.00 C ATOM 723 CG ASP A 87 -4.106 17.335 -2.219 1.00 0.00 C ATOM 724 OD1 ASP A 87 -5.281 17.616 -2.537 1.00 0.00 O ATOM 725 OD2 ASP A 87 -3.122 17.836 -2.802 1.00 0.00 O ATOM 0 H ASP A 87 -3.586 14.833 -3.049 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.137 14.418 -0.211 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.232 16.832 -0.147 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.778 16.257 -0.939 1.00 0.00 H new ATOM 726 N THR A 88 -6.609 15.651 -0.122 1.00 0.00 N ATOM 727 CA THR A 88 -8.092 15.717 0.080 1.00 0.00 C ATOM 728 C THR A 88 -8.956 16.068 -1.179 1.00 0.00 C ATOM 729 O THR A 88 -10.030 15.486 -1.360 1.00 0.00 O ATOM 730 CB THR A 88 -8.537 16.514 1.350 1.00 0.00 C ATOM 731 OG1 THR A 88 -8.694 17.901 1.065 1.00 0.00 O ATOM 732 CG2 THR A 88 -7.697 16.369 2.634 1.00 0.00 C ATOM 0 H THR A 88 -6.087 16.296 0.472 1.00 0.00 H new ATOM 0 HA THR A 88 -8.326 14.670 0.272 1.00 0.00 H new ATOM 0 HB THR A 88 -9.483 16.027 1.585 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.974 18.372 1.877 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.132 16.981 3.424 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.688 15.325 2.947 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.676 16.698 2.440 1.00 0.00 H new ATOM 733 N LYS A 89 -8.476 16.982 -2.042 1.00 0.00 N ATOM 734 CA LYS A 89 -9.084 17.265 -3.373 1.00 0.00 C ATOM 735 C LYS A 89 -8.986 16.111 -4.427 1.00 0.00 C ATOM 736 O LYS A 89 -9.887 16.017 -5.266 1.00 0.00 O ATOM 737 CB LYS A 89 -8.439 18.548 -3.971 1.00 0.00 C ATOM 738 CG LYS A 89 -8.698 19.866 -3.198 1.00 0.00 C ATOM 739 CD LYS A 89 -7.859 21.072 -3.672 1.00 0.00 C ATOM 740 CE LYS A 89 -8.092 21.554 -5.119 1.00 0.00 C ATOM 741 NZ LYS A 89 -9.418 22.173 -5.311 1.00 0.00 N ATOM 0 H LYS A 89 -7.653 17.551 -1.844 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.149 17.388 -3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.362 18.393 -4.034 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.803 18.671 -4.991 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.754 20.120 -3.285 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.497 19.695 -2.140 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.055 21.907 -3.000 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.805 20.816 -3.564 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.318 22.274 -5.386 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.989 20.709 -5.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.519 22.478 -6.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.160 21.481 -5.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.510 22.997 -4.684 1.00 0.00 H new ATOM 742 N GLY A 90 -7.902 15.299 -4.450 1.00 0.00 N ATOM 743 CA GLY A 90 -7.526 14.529 -5.654 1.00 0.00 C ATOM 744 C GLY A 90 -6.521 15.329 -6.510 1.00 0.00 C ATOM 745 O GLY A 90 -6.874 15.795 -7.598 1.00 0.00 O ATOM 0 H GLY A 90 -7.279 15.163 -3.654 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -7.087 13.575 -5.361 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -8.416 14.303 -6.242 1.00 0.00 H new ATOM 746 N LYS A 91 -5.300 15.512 -5.985 1.00 0.00 N ATOM 747 CA LYS A 91 -4.244 16.317 -6.633 1.00 0.00 C ATOM 748 C LYS A 91 -2.890 15.698 -6.193 1.00 0.00 C ATOM 749 O LYS A 91 -2.582 15.575 -5.004 1.00 0.00 O ATOM 750 CB LYS A 91 -4.412 17.820 -6.287 1.00 0.00 C ATOM 751 CG LYS A 91 -3.318 18.738 -6.877 1.00 0.00 C ATOM 752 CD LYS A 91 -3.611 20.241 -6.719 1.00 0.00 C ATOM 753 CE LYS A 91 -2.434 21.104 -7.210 1.00 0.00 C ATOM 754 NZ LYS A 91 -2.705 22.541 -7.042 1.00 0.00 N ATOM 0 H LYS A 91 -5.012 15.105 -5.095 1.00 0.00 H new ATOM 0 HA LYS A 91 -4.301 16.288 -7.721 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.384 18.157 -6.647 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.417 17.932 -5.203 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.368 18.511 -6.394 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.200 18.511 -7.936 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.510 20.498 -7.280 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.814 20.464 -5.672 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.532 20.837 -6.659 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.240 20.891 -8.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.890 23.090 -7.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.551 22.801 -7.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.865 22.749 -6.036 1.00 0.00 H new ATOM 755 N ASN A 92 -2.100 15.318 -7.207 1.00 0.00 N ATOM 756 CA ASN A 92 -0.898 14.456 -7.070 1.00 0.00 C ATOM 757 C ASN A 92 0.252 15.081 -6.204 1.00 0.00 C ATOM 758 O ASN A 92 0.568 16.270 -6.301 1.00 0.00 O ATOM 759 CB ASN A 92 -0.542 14.037 -8.532 1.00 0.00 C ATOM 760 CG ASN A 92 0.893 13.583 -8.854 1.00 0.00 C ATOM 761 OD1 ASN A 92 1.681 14.323 -9.439 1.00 0.00 O ATOM 762 ND2 ASN A 92 1.257 12.368 -8.487 1.00 0.00 N ATOM 0 H ASN A 92 -2.275 15.603 -8.170 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.088 13.565 -6.472 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.214 13.226 -8.814 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -0.772 14.882 -9.181 1.00 0.00 H new ATOM 0 HD21 ASN A 92 2.200 12.035 -8.688 1.00 0.00 H new ATOM 0 HD22 ASN A 92 0.595 11.762 -8.002 1.00 0.00 H new ATOM 763 N VAL A 93 0.835 14.215 -5.354 1.00 0.00 N ATOM 764 CA VAL A 93 1.757 14.604 -4.245 1.00 0.00 C ATOM 765 C VAL A 93 3.113 13.854 -4.478 1.00 0.00 C ATOM 766 O VAL A 93 4.034 14.391 -5.101 1.00 0.00 O ATOM 767 CB VAL A 93 1.091 14.429 -2.820 1.00 0.00 C ATOM 768 CG1 VAL A 93 1.918 15.092 -1.697 1.00 0.00 C ATOM 769 CG2 VAL A 93 -0.367 14.920 -2.675 1.00 0.00 C ATOM 0 H VAL A 93 0.683 13.208 -5.411 1.00 0.00 H new ATOM 0 HA VAL A 93 1.974 15.672 -4.257 1.00 0.00 H new ATOM 0 HB VAL A 93 1.075 13.344 -2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.418 14.943 -0.740 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.910 14.642 -1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.011 16.160 -1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.710 14.746 -1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.416 15.986 -2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.005 14.375 -3.370 1.00 0.00 H new ATOM 770 N LEU A 94 3.194 12.616 -3.975 1.00 0.00 N ATOM 771 CA LEU A 94 4.361 11.695 -4.117 1.00 0.00 C ATOM 772 C LEU A 94 4.002 10.535 -5.102 1.00 0.00 C ATOM 773 O LEU A 94 2.853 10.082 -5.172 1.00 0.00 O ATOM 774 CB LEU A 94 4.758 11.110 -2.721 1.00 0.00 C ATOM 775 CG LEU A 94 5.820 11.876 -1.877 1.00 0.00 C ATOM 776 CD1 LEU A 94 5.360 13.257 -1.377 1.00 0.00 C ATOM 777 CD2 LEU A 94 6.268 11.027 -0.672 1.00 0.00 C ATOM 0 H LEU A 94 2.432 12.201 -3.438 1.00 0.00 H new ATOM 0 HA LEU A 94 5.208 12.253 -4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.850 11.032 -2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.125 10.096 -2.877 1.00 0.00 H new ATOM 0 HG LEU A 94 6.652 12.051 -2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.160 13.720 -0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.116 13.890 -2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.478 13.141 -0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.010 11.578 -0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.407 10.808 -0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.705 10.094 -1.027 1.00 0.00 H new ATOM 778 N GLU A 95 5.021 10.021 -5.820 1.00 0.00 N ATOM 779 CA GLU A 95 4.896 8.786 -6.648 1.00 0.00 C ATOM 780 C GLU A 95 6.148 7.896 -6.407 1.00 0.00 C ATOM 781 O GLU A 95 7.278 8.311 -6.691 1.00 0.00 O ATOM 782 CB GLU A 95 4.767 9.088 -8.166 1.00 0.00 C ATOM 783 CG GLU A 95 3.381 9.592 -8.600 1.00 0.00 C ATOM 784 CD GLU A 95 3.320 9.967 -10.082 1.00 0.00 C ATOM 785 OE1 GLU A 95 3.981 10.948 -10.488 1.00 0.00 O ATOM 786 OE2 GLU A 95 2.606 9.284 -10.851 1.00 0.00 O ATOM 0 H GLU A 95 5.950 10.440 -5.848 1.00 0.00 H new ATOM 0 HA GLU A 95 3.982 8.276 -6.345 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.513 9.834 -8.440 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.002 8.182 -8.725 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.639 8.820 -8.395 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.112 10.461 -7.999 1.00 0.00 H new ATOM 787 N LYS A 96 5.923 6.662 -5.921 1.00 0.00 N ATOM 788 CA LYS A 96 6.981 5.611 -5.813 1.00 0.00 C ATOM 789 C LYS A 96 6.529 4.329 -6.582 1.00 0.00 C ATOM 790 O LYS A 96 5.368 4.172 -6.975 1.00 0.00 O ATOM 791 CB LYS A 96 7.345 5.315 -4.325 1.00 0.00 C ATOM 792 CG LYS A 96 8.506 6.128 -3.704 1.00 0.00 C ATOM 793 CD LYS A 96 8.187 7.594 -3.359 1.00 0.00 C ATOM 794 CE LYS A 96 9.257 8.230 -2.453 1.00 0.00 C ATOM 795 NZ LYS A 96 8.989 9.663 -2.253 1.00 0.00 N ATOM 0 H LYS A 96 5.009 6.354 -5.590 1.00 0.00 H new ATOM 0 HA LYS A 96 7.895 5.979 -6.279 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.454 5.483 -3.720 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.592 4.257 -4.242 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.833 5.623 -2.795 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.347 6.112 -4.397 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.105 8.171 -4.280 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.218 7.645 -2.863 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.273 7.721 -1.489 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.243 8.099 -2.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.794 10.219 -2.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.129 9.931 -2.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.855 9.853 -1.239 1.00 0.00 H new ATOM 796 N ILE A 97 7.487 3.416 -6.833 1.00 0.00 N ATOM 797 CA ILE A 97 7.279 2.208 -7.696 1.00 0.00 C ATOM 798 C ILE A 97 7.707 0.944 -6.868 1.00 0.00 C ATOM 799 O ILE A 97 8.500 1.020 -5.922 1.00 0.00 O ATOM 800 CB ILE A 97 7.973 2.377 -9.099 1.00 0.00 C ATOM 801 CG1 ILE A 97 7.654 3.749 -9.792 1.00 0.00 C ATOM 802 CG2 ILE A 97 7.608 1.210 -10.056 1.00 0.00 C ATOM 803 CD1 ILE A 97 8.358 4.082 -11.115 1.00 0.00 C ATOM 0 H ILE A 97 8.430 3.483 -6.450 1.00 0.00 H new ATOM 0 HA ILE A 97 6.229 2.075 -7.957 1.00 0.00 H new ATOM 0 HB ILE A 97 9.044 2.359 -8.896 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.579 3.789 -9.969 1.00 0.00 H new ATOM 0 HG13 ILE A 97 7.890 4.542 -9.082 1.00 0.00 H new ATOM 0 HG21 ILE A 97 8.104 1.358 -11.016 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.935 0.266 -9.620 1.00 0.00 H new ATOM 0 HG23 ILE A 97 6.529 1.186 -10.205 1.00 0.00 H new ATOM 0 HD11 ILE A 97 8.032 5.062 -11.464 1.00 0.00 H new ATOM 0 HD12 ILE A 97 9.437 4.093 -10.960 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.106 3.328 -11.861 1.00 0.00 H new ATOM 804 N PHE A 98 7.082 -0.218 -7.152 1.00 0.00 N ATOM 805 CA PHE A 98 7.059 -1.389 -6.220 1.00 0.00 C ATOM 806 C PHE A 98 6.792 -2.737 -6.971 1.00 0.00 C ATOM 807 O PHE A 98 6.387 -2.728 -8.138 1.00 0.00 O ATOM 808 CB PHE A 98 5.945 -1.128 -5.163 1.00 0.00 C ATOM 809 CG PHE A 98 6.298 -0.144 -4.032 1.00 0.00 C ATOM 810 CD1 PHE A 98 6.981 -0.595 -2.900 1.00 0.00 C ATOM 811 CD2 PHE A 98 5.921 1.205 -4.115 1.00 0.00 C ATOM 812 CE1 PHE A 98 7.241 0.279 -1.848 1.00 0.00 C ATOM 813 CE2 PHE A 98 6.208 2.081 -3.074 1.00 0.00 C ATOM 814 CZ PHE A 98 6.864 1.614 -1.940 1.00 0.00 C ATOM 0 H PHE A 98 6.580 -0.381 -8.025 1.00 0.00 H new ATOM 0 HA PHE A 98 8.035 -1.489 -5.745 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.063 -0.752 -5.681 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.669 -2.082 -4.714 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.308 -1.623 -2.841 1.00 0.00 H new ATOM 0 HD2 PHE A 98 5.405 1.565 -4.993 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.737 -0.081 -0.958 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.923 3.120 -3.146 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.081 2.291 -1.127 1.00 0.00 H new ATOM 815 N ASP A 99 7.016 -3.917 -6.332 1.00 0.00 N ATOM 816 CA ASP A 99 6.795 -5.234 -7.013 1.00 0.00 C ATOM 817 C ASP A 99 6.616 -6.344 -5.938 1.00 0.00 C ATOM 818 O ASP A 99 7.655 -6.700 -5.367 1.00 0.00 O ATOM 819 CB ASP A 99 7.992 -5.678 -7.935 1.00 0.00 C ATOM 820 CG ASP A 99 8.383 -4.858 -9.172 1.00 0.00 C ATOM 821 OD1 ASP A 99 8.968 -3.764 -9.019 1.00 0.00 O ATOM 822 OD2 ASP A 99 8.153 -5.329 -10.310 1.00 0.00 O ATOM 0 H ASP A 99 7.342 -3.990 -5.368 1.00 0.00 H new ATOM 0 HA ASP A 99 5.911 -5.104 -7.637 1.00 0.00 H new ATOM 0 HB2 ASP A 99 8.877 -5.741 -7.301 1.00 0.00 H new ATOM 0 HB3 ASP A 99 7.773 -6.689 -8.278 1.00 0.00 H new ATOM 823 N LEU A 100 5.442 -7.018 -5.702 1.00 0.00 N ATOM 824 CA LEU A 100 5.519 -8.332 -4.980 1.00 0.00 C ATOM 825 C LEU A 100 6.056 -9.445 -5.928 1.00 0.00 C ATOM 826 O LEU A 100 5.554 -9.621 -7.043 1.00 0.00 O ATOM 827 CB LEU A 100 4.239 -8.845 -4.277 1.00 0.00 C ATOM 828 CG LEU A 100 3.554 -7.978 -3.193 1.00 0.00 C ATOM 829 CD1 LEU A 100 4.518 -7.270 -2.216 1.00 0.00 C ATOM 830 CD2 LEU A 100 2.617 -6.977 -3.864 1.00 0.00 C ATOM 0 H LEU A 100 4.509 -6.707 -5.974 1.00 0.00 H new ATOM 0 HA LEU A 100 6.205 -8.112 -4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.498 -9.040 -5.053 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.482 -9.804 -3.820 1.00 0.00 H new ATOM 0 HG LEU A 100 2.991 -8.667 -2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.943 -6.688 -1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.113 -8.015 -1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.179 -6.606 -2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.133 -6.365 -3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.189 -6.336 -4.535 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.859 -7.514 -4.434 1.00 0.00 H new ATOM 831 N LYS A 101 7.058 -10.193 -5.436 1.00 0.00 N ATOM 832 CA LYS A 101 7.609 -11.384 -6.141 1.00 0.00 C ATOM 833 C LYS A 101 7.547 -12.637 -5.221 1.00 0.00 C ATOM 834 O LYS A 101 7.479 -12.558 -3.988 1.00 0.00 O ATOM 835 CB LYS A 101 9.053 -11.116 -6.630 1.00 0.00 C ATOM 836 CG LYS A 101 9.182 -10.026 -7.716 1.00 0.00 C ATOM 837 CD LYS A 101 10.610 -9.898 -8.269 1.00 0.00 C ATOM 838 CE LYS A 101 10.973 -10.942 -9.339 1.00 0.00 C ATOM 839 NZ LYS A 101 12.367 -10.782 -9.793 1.00 0.00 N ATOM 0 H LYS A 101 7.513 -9.998 -4.544 1.00 0.00 H new ATOM 0 HA LYS A 101 6.995 -11.580 -7.020 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.663 -10.829 -5.774 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.467 -12.046 -7.019 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.500 -10.254 -8.535 1.00 0.00 H new ATOM 0 HG3 LYS A 101 8.872 -9.067 -7.300 1.00 0.00 H new ATOM 0 HD2 LYS A 101 10.734 -8.902 -8.694 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.316 -9.982 -7.442 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.833 -11.944 -8.934 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.298 -10.844 -10.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.551 -11.431 -10.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.520 -9.802 -10.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.015 -10.999 -9.009 1.00 0.00 H new ATOM 840 N ILE A 102 7.570 -13.807 -5.881 1.00 0.00 N ATOM 841 CA ILE A 102 7.479 -15.133 -5.202 1.00 0.00 C ATOM 842 C ILE A 102 8.889 -15.775 -5.321 1.00 0.00 C ATOM 843 O ILE A 102 9.413 -15.927 -6.432 1.00 0.00 O ATOM 844 CB ILE A 102 6.370 -16.080 -5.801 1.00 0.00 C ATOM 845 CG1 ILE A 102 4.964 -15.447 -6.019 1.00 0.00 C ATOM 846 CG2 ILE A 102 6.182 -17.349 -4.932 1.00 0.00 C ATOM 847 CD1 ILE A 102 4.193 -15.090 -4.742 1.00 0.00 C ATOM 0 H ILE A 102 7.651 -13.872 -6.896 1.00 0.00 H new ATOM 0 HA ILE A 102 7.177 -14.990 -4.164 1.00 0.00 H new ATOM 0 HB ILE A 102 6.766 -16.312 -6.790 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.081 -14.543 -6.616 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.360 -16.140 -6.605 1.00 0.00 H new ATOM 0 HG21 ILE A 102 5.411 -17.981 -5.372 1.00 0.00 H new ATOM 0 HG22 ILE A 102 7.121 -17.901 -4.886 1.00 0.00 H new ATOM 0 HG23 ILE A 102 5.882 -17.059 -3.925 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.229 -14.657 -5.008 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.035 -15.991 -4.149 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.767 -14.369 -4.160 1.00 0.00 H new ATOM 848 N GLN A 103 9.468 -16.203 -4.181 1.00 0.00 N ATOM 849 CA GLN A 103 10.774 -16.919 -4.159 1.00 0.00 C ATOM 850 C GLN A 103 10.623 -18.324 -4.809 1.00 0.00 C ATOM 851 O GLN A 103 9.731 -19.101 -4.449 1.00 0.00 O ATOM 852 CB GLN A 103 11.335 -17.023 -2.718 1.00 0.00 C ATOM 853 CG GLN A 103 11.763 -15.673 -2.089 1.00 0.00 C ATOM 854 CD GLN A 103 12.306 -15.758 -0.651 1.00 0.00 C ATOM 855 OE1 GLN A 103 12.614 -16.825 -0.116 1.00 0.00 O ATOM 856 NE2 GLN A 103 12.444 -14.621 0.011 1.00 0.00 N ATOM 0 H GLN A 103 9.056 -16.068 -3.258 1.00 0.00 H new ATOM 0 HA GLN A 103 11.493 -16.344 -4.743 1.00 0.00 H new ATOM 0 HB2 GLN A 103 10.579 -17.481 -2.081 1.00 0.00 H new ATOM 0 HB3 GLN A 103 12.194 -17.693 -2.725 1.00 0.00 H new ATOM 0 HG2 GLN A 103 12.528 -15.223 -2.722 1.00 0.00 H new ATOM 0 HG3 GLN A 103 10.906 -15.000 -2.097 1.00 0.00 H new ATOM 0 HE21 GLN A 103 12.189 -13.739 -0.432 1.00 0.00 H new ATOM 0 HE22 GLN A 103 12.805 -14.627 0.965 1.00 0.00 H new ATOM 857 N GLU A 104 11.472 -18.590 -5.817 1.00 0.00 N ATOM 858 CA GLU A 104 11.276 -19.719 -6.771 1.00 0.00 C ATOM 859 C GLU A 104 12.062 -20.993 -6.339 1.00 0.00 C ATOM 860 O GLU A 104 12.964 -21.497 -7.016 1.00 0.00 O ATOM 861 CB GLU A 104 11.673 -19.256 -8.194 1.00 0.00 C ATOM 862 CG GLU A 104 10.822 -18.125 -8.822 1.00 0.00 C ATOM 863 CD GLU A 104 11.320 -17.718 -10.210 1.00 0.00 C ATOM 864 OE1 GLU A 104 12.256 -16.888 -10.297 1.00 0.00 O ATOM 865 OE2 GLU A 104 10.786 -18.226 -11.220 1.00 0.00 O ATOM 0 H GLU A 104 12.310 -18.039 -6.001 1.00 0.00 H new ATOM 0 HA GLU A 104 10.223 -20.001 -6.769 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.711 -18.925 -8.166 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.632 -20.120 -8.857 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.785 -18.452 -8.893 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.837 -17.256 -8.165 1.00 0.00 H new ATOM 866 N ARG A 105 11.648 -21.503 -5.174 1.00 0.00 N ATOM 867 CA ARG A 105 12.154 -22.753 -4.539 1.00 0.00 C ATOM 868 C ARG A 105 13.620 -22.613 -4.062 1.00 0.00 C ATOM 869 O ARG A 105 13.833 -22.330 -2.863 1.00 0.00 O ATOM 870 CB ARG A 105 11.880 -24.062 -5.340 1.00 0.00 C ATOM 871 CG ARG A 105 10.420 -24.335 -5.785 1.00 0.00 C ATOM 872 CD ARG A 105 9.407 -24.483 -4.631 1.00 0.00 C ATOM 873 NE ARG A 105 8.049 -24.800 -5.137 1.00 0.00 N ATOM 874 CZ ARG A 105 6.935 -24.794 -4.380 1.00 0.00 C ATOM 875 NH1 ARG A 105 6.910 -24.455 -3.093 1.00 0.00 N ATOM 876 NH2 ARG A 105 5.798 -25.150 -4.950 1.00 0.00 N ATOM 877 OXT ARG A 105 14.555 -22.773 -4.880 1.00 0.00 O ATOM 0 H ARG A 105 10.924 -21.049 -4.616 1.00 0.00 H new ATOM 0 HA ARG A 105 11.543 -22.879 -3.645 1.00 0.00 H new ATOM 0 HB2 ARG A 105 12.507 -24.048 -6.232 1.00 0.00 H new ATOM 0 HB3 ARG A 105 12.210 -24.904 -4.732 1.00 0.00 H new ATOM 0 HG2 ARG A 105 10.095 -23.521 -6.433 1.00 0.00 H new ATOM 0 HG3 ARG A 105 10.402 -25.246 -6.384 1.00 0.00 H new ATOM 0 HD2 ARG A 105 9.737 -25.271 -3.954 1.00 0.00 H new ATOM 0 HD3 ARG A 105 9.375 -23.559 -4.053 1.00 0.00 H new ATOM 0 HE ARG A 105 7.952 -25.038 -6.124 1.00 0.00 H new ATOM 0 HH11 ARG A 105 7.771 -24.178 -2.622 1.00 0.00 H new ATOM 0 HH12 ARG A 105 6.030 -24.472 -2.578 1.00 0.00 H new ATOM 0 HH21 ARG A 105 5.783 -25.418 -5.934 1.00 0.00 H new ATOM 0 HH22 ARG A 105 4.935 -25.157 -4.406 1.00 0.00 H new