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 34 LYS NZ :NH3+ -156:sc= 0 (180deg=0) USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 25 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Set 2.2: A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 67:sc= 0.209 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 18 ASN : amide:sc= -0.179 K(o=-0.18,f=-1.2) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -166:sc= -0.0559 (180deg=-0.45) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0857 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= -0.017 X(o=-0.017,f=0) 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 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 156:sc= -0.23 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 30:sc= 0.471 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0.119 (180deg=0.119) 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= -0.262 USER MOD Single : A 78 GLN : amide:sc= -2.97 K(o=-3,f=-4.8!) USER MOD Single : A 81 TYR OH : rot -130:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -144:sc=-0.00633 (180deg=-1.41!) USER MOD Single : A 84 SER OG : rot -105:sc= 0.28 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= -0.0734 K(o=-0.073,f=-1.2) USER MOD Single : A 96 LYS NZ :NH3+ 164:sc=-0.000805 (180deg=-0.32) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 34 N ASN A 5 12.585 5.835 -7.436 1.00 0.00 N ATOM 35 CA ASN A 5 13.102 4.798 -6.500 1.00 0.00 C ATOM 36 C ASN A 5 12.156 3.566 -6.450 1.00 0.00 C ATOM 37 O ASN A 5 11.590 3.187 -5.419 1.00 0.00 O ATOM 38 CB ASN A 5 13.319 5.414 -5.099 1.00 0.00 C ATOM 39 CG ASN A 5 14.369 6.539 -4.978 1.00 0.00 C ATOM 40 OD1 ASN A 5 14.030 7.714 -4.841 1.00 0.00 O ATOM 41 ND2 ASN A 5 15.651 6.208 -5.035 1.00 0.00 N ATOM 0 HA ASN A 5 14.065 4.441 -6.866 1.00 0.00 H new ATOM 0 HB2 ASN A 5 12.363 5.805 -4.750 1.00 0.00 H new ATOM 0 HB3 ASN A 5 13.603 4.612 -4.418 1.00 0.00 H new ATOM 0 HD21 ASN A 5 16.368 6.930 -4.965 1.00 0.00 H new ATOM 0 HD22 ASN A 5 15.921 5.231 -5.149 1.00 0.00 H new ATOM 42 N ALA A 6 12.053 2.921 -7.617 1.00 0.00 N ATOM 43 CA ALA A 6 11.275 1.671 -7.801 1.00 0.00 C ATOM 44 C ALA A 6 11.923 0.468 -7.068 1.00 0.00 C ATOM 45 O ALA A 6 13.111 0.182 -7.245 1.00 0.00 O ATOM 46 CB ALA A 6 11.161 1.366 -9.309 1.00 0.00 C ATOM 0 H ALA A 6 12.506 3.246 -8.471 1.00 0.00 H new ATOM 0 HA ALA A 6 10.286 1.820 -7.367 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.590 0.448 -9.453 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.654 2.191 -9.810 1.00 0.00 H new ATOM 0 HB3 ALA A 6 12.158 1.243 -9.732 1.00 0.00 H new ATOM 47 N LEU A 7 11.126 -0.192 -6.209 1.00 0.00 N ATOM 48 CA LEU A 7 11.627 -1.214 -5.266 1.00 0.00 C ATOM 49 C LEU A 7 11.241 -2.608 -5.803 1.00 0.00 C ATOM 50 O LEU A 7 10.069 -2.946 -5.995 1.00 0.00 O ATOM 51 CB LEU A 7 11.086 -1.028 -3.820 1.00 0.00 C ATOM 52 CG LEU A 7 11.350 0.338 -3.124 1.00 0.00 C ATOM 53 CD1 LEU A 7 10.791 0.345 -1.689 1.00 0.00 C ATOM 54 CD2 LEU A 7 12.823 0.787 -3.097 1.00 0.00 C ATOM 0 H LEU A 7 10.120 -0.035 -6.147 1.00 0.00 H new ATOM 0 HA LEU A 7 12.710 -1.107 -5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.009 -1.192 -3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 7 11.516 -1.812 -3.197 1.00 0.00 H new ATOM 0 HG LEU A 7 10.824 1.061 -3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 7 10.989 1.312 -1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.716 0.170 -1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 7 11.272 -0.441 -1.107 1.00 0.00 H new ATOM 0 HD21 LEU A 7 12.901 1.749 -2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.419 0.047 -2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.193 0.883 -4.118 1.00 0.00 H new ATOM 55 N GLU A 8 12.287 -3.417 -5.974 1.00 0.00 N ATOM 56 CA GLU A 8 12.162 -4.887 -6.155 1.00 0.00 C ATOM 57 C GLU A 8 11.921 -5.551 -4.772 1.00 0.00 C ATOM 58 O GLU A 8 12.810 -5.564 -3.912 1.00 0.00 O ATOM 59 CB GLU A 8 13.341 -5.495 -6.963 1.00 0.00 C ATOM 60 CG GLU A 8 14.796 -5.428 -6.432 1.00 0.00 C ATOM 61 CD GLU A 8 15.447 -4.040 -6.422 1.00 0.00 C ATOM 62 OE1 GLU A 8 15.848 -3.551 -7.501 1.00 0.00 O ATOM 63 OE2 GLU A 8 15.566 -3.436 -5.332 1.00 0.00 O ATOM 0 H GLU A 8 13.251 -3.084 -5.993 1.00 0.00 H new ATOM 0 HA GLU A 8 11.293 -5.102 -6.777 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.108 -6.548 -7.122 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.337 -5.016 -7.942 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.808 -5.820 -5.415 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.413 -6.092 -7.037 1.00 0.00 H new ATOM 64 N THR A 9 10.678 -6.007 -4.549 1.00 0.00 N ATOM 65 CA THR A 9 10.146 -6.251 -3.181 1.00 0.00 C ATOM 66 C THR A 9 9.857 -7.774 -3.080 1.00 0.00 C ATOM 67 O THR A 9 8.870 -8.274 -3.631 1.00 0.00 O ATOM 68 CB THR A 9 8.915 -5.326 -2.908 1.00 0.00 C ATOM 69 OG1 THR A 9 9.184 -3.976 -3.274 1.00 0.00 O ATOM 70 CG2 THR A 9 8.454 -5.298 -1.445 1.00 0.00 C ATOM 0 H THR A 9 10.014 -6.217 -5.295 1.00 0.00 H new ATOM 0 HA THR A 9 10.857 -5.991 -2.396 1.00 0.00 H new ATOM 0 HB THR A 9 8.125 -5.764 -3.518 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.296 -3.917 -4.246 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.597 -4.632 -1.346 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.171 -6.303 -1.134 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.267 -4.938 -0.814 1.00 0.00 H new ATOM 71 N TRP A 10 10.771 -8.509 -2.419 1.00 0.00 N ATOM 72 CA TRP A 10 10.817 -9.994 -2.492 1.00 0.00 C ATOM 73 C TRP A 10 10.202 -10.639 -1.224 1.00 0.00 C ATOM 74 O TRP A 10 10.480 -10.228 -0.093 1.00 0.00 O ATOM 75 CB TRP A 10 12.274 -10.496 -2.706 1.00 0.00 C ATOM 76 CG TRP A 10 12.852 -10.154 -4.087 1.00 0.00 C ATOM 77 CD1 TRP A 10 13.632 -9.024 -4.401 1.00 0.00 C ATOM 78 CD2 TRP A 10 12.626 -10.797 -5.290 1.00 0.00 C ATOM 79 NE1 TRP A 10 13.903 -8.943 -5.778 1.00 0.00 N ATOM 80 CE2 TRP A 10 13.261 -10.049 -6.311 1.00 0.00 C ATOM 81 CE3 TRP A 10 11.884 -11.964 -5.612 1.00 0.00 C ATOM 82 CZ2 TRP A 10 13.152 -10.453 -7.665 1.00 0.00 C ATOM 83 CZ3 TRP A 10 11.794 -12.346 -6.951 1.00 0.00 C ATOM 84 CH2 TRP A 10 12.416 -11.603 -7.961 1.00 0.00 C ATOM 0 H TRP A 10 11.493 -8.103 -1.824 1.00 0.00 H new ATOM 0 HA TRP A 10 10.219 -10.299 -3.350 1.00 0.00 H new ATOM 0 HB2 TRP A 10 12.914 -10.063 -1.937 1.00 0.00 H new ATOM 0 HB3 TRP A 10 12.299 -11.577 -2.570 1.00 0.00 H new ATOM 0 HD1 TRP A 10 13.980 -8.307 -3.672 1.00 0.00 H new ATOM 0 HE1 TRP A 10 14.446 -8.234 -6.271 1.00 0.00 H new ATOM 0 HE3 TRP A 10 11.401 -12.542 -4.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 13.627 -9.884 -8.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 11.234 -13.232 -7.213 1.00 0.00 H new ATOM 0 HH2 TRP A 10 12.325 -11.925 -8.988 1.00 0.00 H new ATOM 85 N GLY A 11 9.395 -11.687 -1.454 1.00 0.00 N ATOM 86 CA GLY A 11 8.806 -12.501 -0.374 1.00 0.00 C ATOM 87 C GLY A 11 8.818 -14.007 -0.709 1.00 0.00 C ATOM 88 O GLY A 11 9.744 -14.525 -1.342 1.00 0.00 O ATOM 0 H GLY A 11 9.132 -11.995 -2.390 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.359 -12.331 0.550 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.780 -12.178 -0.196 1.00 0.00 H new ATOM 89 N ALA A 12 7.784 -14.706 -0.216 1.00 0.00 N ATOM 90 CA ALA A 12 7.676 -16.184 -0.324 1.00 0.00 C ATOM 91 C ALA A 12 6.189 -16.618 -0.395 1.00 0.00 C ATOM 92 O ALA A 12 5.323 -16.039 0.267 1.00 0.00 O ATOM 93 CB ALA A 12 8.364 -16.861 0.883 1.00 0.00 C ATOM 0 H ALA A 12 6.998 -14.272 0.268 1.00 0.00 H new ATOM 0 HA ALA A 12 8.176 -16.498 -1.240 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.277 -17.944 0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.417 -16.582 0.905 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.883 -16.536 1.805 1.00 0.00 H new ATOM 94 N LEU A 13 5.909 -17.683 -1.171 1.00 0.00 N ATOM 95 CA LEU A 13 4.526 -18.207 -1.381 1.00 0.00 C ATOM 96 C LEU A 13 3.973 -18.874 -0.085 1.00 0.00 C ATOM 97 O LEU A 13 4.567 -19.784 0.502 1.00 0.00 O ATOM 98 CB LEU A 13 4.440 -19.016 -2.708 1.00 0.00 C ATOM 99 CG LEU A 13 3.773 -20.417 -2.835 1.00 0.00 C ATOM 100 CD1 LEU A 13 2.242 -20.413 -2.722 1.00 0.00 C ATOM 101 CD2 LEU A 13 4.109 -20.998 -4.218 1.00 0.00 C ATOM 0 H LEU A 13 6.625 -18.209 -1.672 1.00 0.00 H new ATOM 0 HA LEU A 13 3.821 -17.392 -1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.931 -18.371 -3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.465 -19.135 -3.058 1.00 0.00 H new ATOM 0 HG LEU A 13 4.164 -21.003 -2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.867 -21.432 -2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.950 -20.013 -1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.820 -19.792 -3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.648 -21.980 -4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.727 -20.334 -4.994 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.190 -21.092 -4.320 1.00 0.00 H new ATOM 102 N GLY A 14 2.843 -18.306 0.345 1.00 0.00 N ATOM 103 CA GLY A 14 2.232 -18.564 1.669 1.00 0.00 C ATOM 104 C GLY A 14 2.697 -17.576 2.762 1.00 0.00 C ATOM 105 O GLY A 14 3.338 -18.017 3.720 1.00 0.00 O ATOM 0 H GLY A 14 2.312 -17.642 -0.219 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.147 -18.509 1.577 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.474 -19.580 1.981 1.00 0.00 H new ATOM 106 N GLN A 15 2.394 -16.265 2.619 1.00 0.00 N ATOM 107 CA GLN A 15 2.941 -15.216 3.542 1.00 0.00 C ATOM 108 C GLN A 15 1.908 -14.072 3.816 1.00 0.00 C ATOM 109 O GLN A 15 1.073 -13.733 2.972 1.00 0.00 O ATOM 110 CB GLN A 15 4.303 -14.720 2.960 1.00 0.00 C ATOM 111 CG GLN A 15 5.094 -13.652 3.750 1.00 0.00 C ATOM 112 CD GLN A 15 6.394 -13.233 3.040 1.00 0.00 C ATOM 113 OE1 GLN A 15 6.387 -12.387 2.145 1.00 0.00 O ATOM 114 NE2 GLN A 15 7.528 -13.806 3.415 1.00 0.00 N ATOM 0 H GLN A 15 1.783 -15.901 1.887 1.00 0.00 H new ATOM 0 HA GLN A 15 3.126 -15.640 4.529 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.949 -15.590 2.839 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.113 -14.323 1.963 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.465 -12.774 3.896 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.334 -14.041 4.740 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.525 -14.506 4.157 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.404 -13.547 2.962 1.00 0.00 H new ATOM 115 N ASP A 16 2.014 -13.461 5.015 1.00 0.00 N ATOM 116 CA ASP A 16 1.332 -12.180 5.354 1.00 0.00 C ATOM 117 C ASP A 16 2.419 -11.049 5.374 1.00 0.00 C ATOM 118 O ASP A 16 3.423 -11.131 6.086 1.00 0.00 O ATOM 119 CB ASP A 16 0.615 -12.332 6.713 1.00 0.00 C ATOM 120 CG ASP A 16 -0.218 -11.119 7.163 1.00 0.00 C ATOM 121 OD1 ASP A 16 0.356 -10.169 7.738 1.00 0.00 O ATOM 122 OD2 ASP A 16 -1.449 -11.118 6.944 1.00 0.00 O ATOM 0 H ASP A 16 2.574 -13.837 5.780 1.00 0.00 H new ATOM 0 HA ASP A 16 0.573 -11.918 4.617 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.040 -13.202 6.663 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.364 -12.540 7.477 1.00 0.00 H new ATOM 123 N ILE A 17 2.174 -9.999 4.574 1.00 0.00 N ATOM 124 CA ILE A 17 3.109 -8.838 4.384 1.00 0.00 C ATOM 125 C ILE A 17 2.293 -7.533 4.057 1.00 0.00 C ATOM 126 O ILE A 17 1.071 -7.571 3.884 1.00 0.00 O ATOM 127 CB ILE A 17 4.315 -9.236 3.426 1.00 0.00 C ATOM 128 CG1 ILE A 17 5.705 -9.125 4.114 1.00 0.00 C ATOM 129 CG2 ILE A 17 4.351 -8.612 2.011 1.00 0.00 C ATOM 130 CD1 ILE A 17 6.178 -7.707 4.491 1.00 0.00 C ATOM 0 H ILE A 17 1.317 -9.915 4.028 1.00 0.00 H new ATOM 0 HA ILE A 17 3.626 -8.577 5.307 1.00 0.00 H new ATOM 0 HB ILE A 17 4.085 -10.285 3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.685 -9.730 5.021 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.449 -9.567 3.452 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.228 -8.975 1.475 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.450 -8.894 1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.400 -7.526 2.093 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.159 -7.764 4.963 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.243 -7.094 3.592 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.467 -7.259 5.185 1.00 0.00 H new ATOM 131 N ASN A 18 2.957 -6.359 4.037 1.00 0.00 N ATOM 132 CA ASN A 18 2.267 -5.024 3.966 1.00 0.00 C ATOM 133 C ASN A 18 2.867 -4.069 2.876 1.00 0.00 C ATOM 134 O ASN A 18 4.054 -4.153 2.550 1.00 0.00 O ATOM 135 CB ASN A 18 2.357 -4.326 5.358 1.00 0.00 C ATOM 136 CG ASN A 18 1.594 -4.978 6.537 1.00 0.00 C ATOM 137 OD1 ASN A 18 0.741 -5.851 6.377 1.00 0.00 O ATOM 138 ND2 ASN A 18 1.884 -4.546 7.752 1.00 0.00 N ATOM 0 H ASN A 18 3.974 -6.293 4.069 1.00 0.00 H new ATOM 0 HA ASN A 18 1.232 -5.219 3.684 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.410 -4.261 5.634 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.993 -3.305 5.246 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.400 -4.936 8.561 1.00 0.00 H new ATOM 0 HD22 ASN A 18 2.591 -3.823 7.881 1.00 0.00 H new ATOM 139 N LEU A 19 2.047 -3.107 2.370 1.00 0.00 N ATOM 140 CA LEU A 19 2.538 -1.942 1.559 1.00 0.00 C ATOM 141 C LEU A 19 2.548 -0.689 2.469 1.00 0.00 C ATOM 142 O LEU A 19 1.513 -0.247 2.968 1.00 0.00 O ATOM 143 CB LEU A 19 1.769 -1.670 0.221 1.00 0.00 C ATOM 144 CG LEU A 19 1.807 -2.816 -0.824 1.00 0.00 C ATOM 145 CD1 LEU A 19 1.285 -2.366 -2.200 1.00 0.00 C ATOM 146 CD2 LEU A 19 3.203 -3.403 -1.069 1.00 0.00 C ATOM 0 H LEU A 19 1.036 -3.110 2.507 1.00 0.00 H new ATOM 0 HA LEU A 19 3.542 -2.198 1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.727 -1.456 0.460 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.182 -0.772 -0.238 1.00 0.00 H new ATOM 0 HG LEU A 19 1.166 -3.577 -0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.331 -3.202 -2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.253 -2.029 -2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.901 -1.548 -2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.138 -4.197 -1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.869 -2.620 -1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.595 -3.810 -0.137 1.00 0.00 H new ATOM 147 N ASP A 20 3.763 -0.163 2.694 1.00 0.00 N ATOM 148 CA ASP A 20 4.044 0.893 3.701 1.00 0.00 C ATOM 149 C ASP A 20 5.346 1.619 3.229 1.00 0.00 C ATOM 150 O ASP A 20 6.368 0.959 2.988 1.00 0.00 O ATOM 151 CB ASP A 20 4.208 0.249 5.109 1.00 0.00 C ATOM 152 CG ASP A 20 4.455 1.242 6.253 1.00 0.00 C ATOM 153 OD1 ASP A 20 3.479 1.810 6.787 1.00 0.00 O ATOM 154 OD2 ASP A 20 5.631 1.456 6.620 1.00 0.00 O ATOM 0 H ASP A 20 4.593 -0.458 2.179 1.00 0.00 H new ATOM 0 HA ASP A 20 3.229 1.612 3.783 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.310 -0.326 5.335 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.038 -0.456 5.075 1.00 0.00 H new ATOM 155 N ILE A 21 5.314 2.964 3.121 1.00 0.00 N ATOM 156 CA ILE A 21 6.481 3.758 2.629 1.00 0.00 C ATOM 157 C ILE A 21 6.654 5.084 3.457 1.00 0.00 C ATOM 158 O ILE A 21 5.789 5.956 3.345 1.00 0.00 O ATOM 159 CB ILE A 21 6.461 3.959 1.068 1.00 0.00 C ATOM 160 CG1 ILE A 21 7.778 4.565 0.492 1.00 0.00 C ATOM 161 CG2 ILE A 21 5.251 4.755 0.517 1.00 0.00 C ATOM 162 CD1 ILE A 21 9.002 3.633 0.533 1.00 0.00 C ATOM 0 H ILE A 21 4.501 3.529 3.364 1.00 0.00 H new ATOM 0 HA ILE A 21 7.385 3.176 2.809 1.00 0.00 H new ATOM 0 HB ILE A 21 6.360 2.933 0.714 1.00 0.00 H new ATOM 0 HG12 ILE A 21 7.601 4.860 -0.542 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.014 5.473 1.047 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.333 4.837 -0.567 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.327 4.236 0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.241 5.752 0.957 1.00 0.00 H new ATOM 0 HD11 ILE A 21 9.865 4.147 0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.214 3.356 1.566 1.00 0.00 H new ATOM 0 HD13 ILE A 21 8.795 2.734 -0.048 1.00 0.00 H new ATOM 163 N PRO A 22 7.767 5.318 4.221 1.00 0.00 N ATOM 164 CA PRO A 22 8.107 6.654 4.786 1.00 0.00 C ATOM 165 C PRO A 22 8.772 7.621 3.756 1.00 0.00 C ATOM 166 O PRO A 22 8.828 7.363 2.549 1.00 0.00 O ATOM 167 CB PRO A 22 8.995 6.231 5.981 1.00 0.00 C ATOM 168 CG PRO A 22 9.738 4.978 5.513 1.00 0.00 C ATOM 169 CD PRO A 22 8.737 4.272 4.600 1.00 0.00 C ATOM 0 HA PRO A 22 7.253 7.264 5.081 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.693 7.023 6.251 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.391 6.023 6.864 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.654 5.233 4.979 1.00 0.00 H new ATOM 0 HG3 PRO A 22 10.025 4.347 6.354 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.230 3.853 3.723 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.247 3.446 5.115 1.00 0.00 H new ATOM 170 N SER A 23 9.229 8.774 4.272 1.00 0.00 N ATOM 171 CA SER A 23 9.802 9.902 3.476 1.00 0.00 C ATOM 172 C SER A 23 8.694 10.711 2.740 1.00 0.00 C ATOM 173 O SER A 23 8.569 10.668 1.511 1.00 0.00 O ATOM 174 CB SER A 23 11.022 9.514 2.597 1.00 0.00 C ATOM 175 OG SER A 23 11.666 10.673 2.085 1.00 0.00 O ATOM 0 H SER A 23 9.216 8.964 5.274 1.00 0.00 H new ATOM 0 HA SER A 23 10.242 10.592 4.196 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.729 8.930 3.186 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.695 8.880 1.773 1.00 0.00 H new ATOM 0 HG SER A 23 12.432 10.406 1.536 1.00 0.00 H new ATOM 176 N PHE A 24 7.901 11.454 3.533 1.00 0.00 N ATOM 177 CA PHE A 24 6.831 12.351 3.027 1.00 0.00 C ATOM 178 C PHE A 24 6.596 13.468 4.086 1.00 0.00 C ATOM 179 O PHE A 24 6.430 13.184 5.280 1.00 0.00 O ATOM 180 CB PHE A 24 5.522 11.598 2.630 1.00 0.00 C ATOM 181 CG PHE A 24 4.780 10.801 3.723 1.00 0.00 C ATOM 182 CD1 PHE A 24 5.118 9.463 3.967 1.00 0.00 C ATOM 183 CD2 PHE A 24 3.770 11.403 4.482 1.00 0.00 C ATOM 184 CE1 PHE A 24 4.462 8.746 4.965 1.00 0.00 C ATOM 185 CE2 PHE A 24 3.117 10.684 5.478 1.00 0.00 C ATOM 186 CZ PHE A 24 3.462 9.357 5.718 1.00 0.00 C ATOM 0 H PHE A 24 7.980 11.453 4.550 1.00 0.00 H new ATOM 0 HA PHE A 24 7.159 12.802 2.090 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.826 12.332 2.223 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.767 10.908 1.823 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.889 8.987 3.380 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.496 12.431 4.294 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.729 7.717 5.155 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.343 11.155 6.065 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.953 8.800 6.490 1.00 0.00 H new ATOM 187 N GLN A 25 6.560 14.737 3.636 1.00 0.00 N ATOM 188 CA GLN A 25 6.377 15.906 4.538 1.00 0.00 C ATOM 189 C GLN A 25 4.892 16.039 4.984 1.00 0.00 C ATOM 190 O GLN A 25 3.980 16.121 4.154 1.00 0.00 O ATOM 191 CB GLN A 25 6.907 17.184 3.830 1.00 0.00 C ATOM 192 CG GLN A 25 6.845 18.521 4.618 1.00 0.00 C ATOM 193 CD GLN A 25 7.550 18.552 5.987 1.00 0.00 C ATOM 194 OE1 GLN A 25 6.902 18.537 7.033 1.00 0.00 O ATOM 195 NE2 GLN A 25 8.872 18.603 6.017 1.00 0.00 N ATOM 0 H GLN A 25 6.655 14.986 2.651 1.00 0.00 H new ATOM 0 HA GLN A 25 6.954 15.762 5.451 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.945 17.007 3.550 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.345 17.313 2.905 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.278 19.303 3.995 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.797 18.778 4.770 1.00 0.00 H new ATOM 0 HE21 GLN A 25 9.402 18.615 5.145 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.361 18.630 6.912 1.00 0.00 H new ATOM 196 N MET A 26 4.686 16.092 6.315 1.00 0.00 N ATOM 197 CA MET A 26 3.346 16.283 6.924 1.00 0.00 C ATOM 198 C MET A 26 2.799 17.726 6.711 1.00 0.00 C ATOM 199 O MET A 26 3.505 18.719 6.936 1.00 0.00 O ATOM 200 CB MET A 26 3.333 15.845 8.417 1.00 0.00 C ATOM 201 CG MET A 26 4.164 16.650 9.439 1.00 0.00 C ATOM 202 SD MET A 26 5.934 16.391 9.194 1.00 0.00 S ATOM 203 CE MET A 26 6.611 17.608 10.340 1.00 0.00 C ATOM 0 H MET A 26 5.437 16.004 6.999 1.00 0.00 H new ATOM 0 HA MET A 26 2.654 15.625 6.398 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.297 15.855 8.754 1.00 0.00 H new ATOM 0 HB3 MET A 26 3.672 14.810 8.459 1.00 0.00 H new ATOM 0 HG2 MET A 26 3.933 17.711 9.344 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.887 16.353 10.451 1.00 0.00 H new ATOM 0 HE1 MET A 26 7.700 17.573 10.306 1.00 0.00 H new ATOM 0 HE2 MET A 26 6.271 18.604 10.056 1.00 0.00 H new ATOM 0 HE3 MET A 26 6.272 17.384 11.351 1.00 0.00 H new ATOM 204 N SER A 27 1.542 17.804 6.255 1.00 0.00 N ATOM 205 CA SER A 27 0.838 19.087 5.955 1.00 0.00 C ATOM 206 C SER A 27 -0.548 19.249 6.661 1.00 0.00 C ATOM 207 O SER A 27 -0.969 20.390 6.881 1.00 0.00 O ATOM 208 CB SER A 27 0.675 19.250 4.425 1.00 0.00 C ATOM 209 OG SER A 27 1.938 19.320 3.773 1.00 0.00 O ATOM 0 H SER A 27 0.968 16.979 6.078 1.00 0.00 H new ATOM 0 HA SER A 27 1.470 19.876 6.364 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.104 18.411 4.027 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.104 20.154 4.213 1.00 0.00 H new ATOM 0 HG SER A 27 1.803 19.421 2.808 1.00 0.00 H new ATOM 210 N ASP A 28 -1.268 18.146 6.983 1.00 0.00 N ATOM 211 CA ASP A 28 -2.667 18.161 7.511 1.00 0.00 C ATOM 212 C ASP A 28 -3.782 18.615 6.499 1.00 0.00 C ATOM 213 O ASP A 28 -4.824 19.138 6.909 1.00 0.00 O ATOM 214 CB ASP A 28 -2.739 18.811 8.930 1.00 0.00 C ATOM 215 CG ASP A 28 -3.921 18.356 9.799 1.00 0.00 C ATOM 216 OD1 ASP A 28 -3.861 17.245 10.368 1.00 0.00 O ATOM 217 OD2 ASP A 28 -4.908 19.113 9.919 1.00 0.00 O ATOM 0 H ASP A 28 -0.892 17.203 6.884 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.939 17.114 7.644 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.813 18.590 9.460 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.790 19.894 8.814 1.00 0.00 H new ATOM 218 N ASP A 29 -3.601 18.343 5.191 1.00 0.00 N ATOM 219 CA ASP A 29 -4.696 18.374 4.180 1.00 0.00 C ATOM 220 C ASP A 29 -4.349 17.284 3.122 1.00 0.00 C ATOM 221 O ASP A 29 -3.890 17.589 2.017 1.00 0.00 O ATOM 222 CB ASP A 29 -4.861 19.811 3.608 1.00 0.00 C ATOM 223 CG ASP A 29 -6.108 20.001 2.733 1.00 0.00 C ATOM 224 OD1 ASP A 29 -7.190 20.301 3.280 1.00 0.00 O ATOM 225 OD2 ASP A 29 -6.010 19.840 1.495 1.00 0.00 O ATOM 0 H ASP A 29 -2.693 18.095 4.798 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.673 18.140 4.603 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.902 20.517 4.437 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.977 20.060 3.020 1.00 0.00 H new ATOM 226 N ILE A 30 -4.519 16.004 3.508 1.00 0.00 N ATOM 227 CA ILE A 30 -4.019 14.838 2.725 1.00 0.00 C ATOM 228 C ILE A 30 -5.087 13.730 2.978 1.00 0.00 C ATOM 229 O ILE A 30 -5.231 13.251 4.109 1.00 0.00 O ATOM 230 CB ILE A 30 -2.569 14.348 3.110 1.00 0.00 C ATOM 231 CG1 ILE A 30 -1.478 15.460 3.263 1.00 0.00 C ATOM 232 CG2 ILE A 30 -2.086 13.290 2.083 1.00 0.00 C ATOM 233 CD1 ILE A 30 -0.165 15.028 3.938 1.00 0.00 C ATOM 0 H ILE A 30 -5.004 15.742 4.366 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.905 15.107 1.675 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.680 13.929 4.110 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.243 15.849 2.272 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.904 16.283 3.836 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.085 12.953 2.351 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.768 12.440 2.088 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.065 13.733 1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.515 15.879 3.990 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.375 14.670 4.946 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.297 14.229 3.358 1.00 0.00 H new ATOM 234 N ASP A 31 -5.829 13.339 1.923 1.00 0.00 N ATOM 235 CA ASP A 31 -6.990 12.417 2.050 1.00 0.00 C ATOM 236 C ASP A 31 -6.741 11.060 1.336 1.00 0.00 C ATOM 237 O ASP A 31 -6.541 10.046 2.008 1.00 0.00 O ATOM 238 CB ASP A 31 -8.312 13.153 1.644 1.00 0.00 C ATOM 239 CG ASP A 31 -9.274 13.459 2.801 1.00 0.00 C ATOM 240 OD1 ASP A 31 -8.844 14.073 3.806 1.00 0.00 O ATOM 241 OD2 ASP A 31 -10.466 13.092 2.711 1.00 0.00 O ATOM 0 H ASP A 31 -5.649 13.645 0.967 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.116 12.136 3.096 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.051 14.090 1.153 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.837 12.543 0.908 1.00 0.00 H new ATOM 242 N ASP A 32 -6.832 11.021 -0.005 1.00 0.00 N ATOM 243 CA ASP A 32 -6.979 9.771 -0.806 1.00 0.00 C ATOM 244 C ASP A 32 -5.616 9.007 -0.839 1.00 0.00 C ATOM 245 O ASP A 32 -4.565 9.643 -0.997 1.00 0.00 O ATOM 246 CB ASP A 32 -7.252 10.140 -2.313 1.00 0.00 C ATOM 247 CG ASP A 32 -8.261 11.221 -2.769 1.00 0.00 C ATOM 248 OD1 ASP A 32 -8.599 12.146 -1.997 1.00 0.00 O ATOM 249 OD2 ASP A 32 -8.714 11.139 -3.930 1.00 0.00 O ATOM 0 H ASP A 32 -6.806 11.863 -0.580 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.782 9.183 -0.362 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.289 10.425 -2.736 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.555 9.215 -2.803 1.00 0.00 H new ATOM 250 N ILE A 33 -5.618 7.667 -0.705 1.00 0.00 N ATOM 251 CA ILE A 33 -4.340 6.880 -0.628 1.00 0.00 C ATOM 252 C ILE A 33 -4.511 5.633 -1.550 1.00 0.00 C ATOM 253 O ILE A 33 -5.122 4.631 -1.165 1.00 0.00 O ATOM 254 CB ILE A 33 -3.872 6.589 0.852 1.00 0.00 C ATOM 255 CG1 ILE A 33 -3.666 7.898 1.684 1.00 0.00 C ATOM 256 CG2 ILE A 33 -2.571 5.743 0.875 1.00 0.00 C ATOM 257 CD1 ILE A 33 -3.434 7.754 3.192 1.00 0.00 C ATOM 0 H ILE A 33 -6.465 7.102 -0.647 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.498 7.463 -1.002 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.677 6.021 1.319 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.814 8.432 1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.542 8.530 1.538 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.275 5.560 1.908 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.747 4.791 0.373 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.777 6.283 0.360 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.308 8.741 3.637 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.292 7.258 3.646 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.537 7.160 3.367 1.00 0.00 H new ATOM 258 N LYS A 34 -3.946 5.718 -2.766 1.00 0.00 N ATOM 259 CA LYS A 34 -4.222 4.763 -3.871 1.00 0.00 C ATOM 260 C LYS A 34 -3.030 3.819 -4.159 1.00 0.00 C ATOM 261 O LYS A 34 -1.870 4.227 -4.130 1.00 0.00 O ATOM 262 CB LYS A 34 -4.640 5.623 -5.104 1.00 0.00 C ATOM 263 CG LYS A 34 -4.890 4.880 -6.437 1.00 0.00 C ATOM 264 CD LYS A 34 -5.530 5.784 -7.508 1.00 0.00 C ATOM 265 CE LYS A 34 -5.749 5.053 -8.842 1.00 0.00 C ATOM 266 NZ LYS A 34 -6.423 5.907 -9.831 1.00 0.00 N ATOM 0 H LYS A 34 -3.282 6.450 -3.019 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.027 4.080 -3.599 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.550 6.165 -4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.863 6.368 -5.274 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.945 4.490 -6.814 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.539 4.023 -6.255 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.486 6.156 -7.140 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.892 6.652 -7.674 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.788 4.727 -9.239 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.344 4.156 -8.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.909 5.311 -10.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.118 6.513 -9.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.719 6.502 -10.313 1.00 0.00 H new ATOM 267 N TRP A 35 -3.375 2.559 -4.492 1.00 0.00 N ATOM 268 CA TRP A 35 -2.408 1.523 -4.933 1.00 0.00 C ATOM 269 C TRP A 35 -3.007 0.850 -6.221 1.00 0.00 C ATOM 270 O TRP A 35 -4.107 0.264 -6.220 1.00 0.00 O ATOM 271 CB TRP A 35 -2.155 0.517 -3.779 1.00 0.00 C ATOM 272 CG TRP A 35 -1.254 1.055 -2.638 1.00 0.00 C ATOM 273 CD1 TRP A 35 -1.589 1.595 -1.377 1.00 0.00 C ATOM 274 CD2 TRP A 35 0.112 1.070 -2.650 1.00 0.00 C ATOM 275 NE1 TRP A 35 -0.460 1.892 -0.592 1.00 0.00 N ATOM 276 CE2 TRP A 35 0.594 1.571 -1.419 1.00 0.00 C ATOM 277 CE3 TRP A 35 0.985 0.579 -3.619 1.00 0.00 C ATOM 278 CZ2 TRP A 35 1.989 1.606 -1.170 1.00 0.00 C ATOM 279 CZ3 TRP A 35 2.355 0.605 -3.365 1.00 0.00 C ATOM 280 CH2 TRP A 35 2.845 1.089 -2.146 1.00 0.00 C ATOM 0 H TRP A 35 -4.338 2.225 -4.464 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.435 1.947 -5.181 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.115 0.220 -3.357 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -1.697 -0.382 -4.192 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.605 1.762 -1.050 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.429 2.257 0.360 1.00 0.00 H new ATOM 0 HE3 TRP A 35 0.606 0.185 -4.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.379 2.020 -0.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 3.045 0.249 -4.115 1.00 0.00 H new ATOM 0 HH2 TRP A 35 3.908 1.062 -1.956 1.00 0.00 H new ATOM 281 N GLU A 36 -2.237 1.006 -7.320 1.00 0.00 N ATOM 282 CA GLU A 36 -2.674 0.777 -8.731 1.00 0.00 C ATOM 283 C GLU A 36 -1.554 0.006 -9.498 1.00 0.00 C ATOM 284 O GLU A 36 -0.375 0.313 -9.300 1.00 0.00 O ATOM 285 CB GLU A 36 -2.966 2.194 -9.318 1.00 0.00 C ATOM 286 CG GLU A 36 -3.423 2.307 -10.789 1.00 0.00 C ATOM 287 CD GLU A 36 -2.302 2.544 -11.802 1.00 0.00 C ATOM 288 OE1 GLU A 36 -1.815 3.688 -11.904 1.00 0.00 O ATOM 289 OE2 GLU A 36 -1.916 1.588 -12.508 1.00 0.00 O ATOM 0 H GLU A 36 -1.263 1.304 -7.257 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.569 0.160 -8.814 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.733 2.658 -8.697 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.061 2.791 -9.206 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.949 1.392 -11.061 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.141 3.123 -10.868 1.00 0.00 H new ATOM 290 N LYS A 37 -1.866 -0.992 -10.367 1.00 0.00 N ATOM 291 CA LYS A 37 -0.823 -1.960 -10.845 1.00 0.00 C ATOM 292 C LYS A 37 -0.023 -1.434 -12.066 1.00 0.00 C ATOM 293 O LYS A 37 -0.635 -0.898 -12.987 1.00 0.00 O ATOM 294 CB LYS A 37 -1.364 -3.407 -11.039 1.00 0.00 C ATOM 295 CG LYS A 37 -2.018 -3.822 -12.384 1.00 0.00 C ATOM 296 CD LYS A 37 -2.385 -5.323 -12.397 1.00 0.00 C ATOM 297 CE LYS A 37 -2.707 -5.946 -13.768 1.00 0.00 C ATOM 298 NZ LYS A 37 -4.035 -5.581 -14.295 1.00 0.00 N ATOM 0 H LYS A 37 -2.800 -1.152 -10.746 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.101 -2.035 -10.032 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.533 -4.089 -10.859 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.099 -3.585 -10.254 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.915 -3.226 -12.553 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.333 -3.607 -13.204 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.557 -5.879 -11.957 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.248 -5.468 -11.747 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.946 -5.637 -14.484 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.646 -7.031 -13.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.279 -6.210 -15.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.746 -5.680 -13.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.018 -4.596 -14.628 1.00 0.00 H new ATOM 299 N THR A 38 1.313 -1.618 -12.115 1.00 0.00 N ATOM 300 CA THR A 38 2.140 -1.138 -13.272 1.00 0.00 C ATOM 301 C THR A 38 2.023 -1.973 -14.589 1.00 0.00 C ATOM 302 O THR A 38 2.080 -1.377 -15.670 1.00 0.00 O ATOM 303 CB THR A 38 3.638 -0.827 -12.957 1.00 0.00 C ATOM 304 OG1 THR A 38 4.459 -1.984 -13.070 1.00 0.00 O ATOM 305 CG2 THR A 38 3.941 -0.174 -11.604 1.00 0.00 C ATOM 0 H THR A 38 1.848 -2.087 -11.384 1.00 0.00 H new ATOM 0 HA THR A 38 1.653 -0.182 -13.462 1.00 0.00 H new ATOM 0 HB THR A 38 3.872 -0.084 -13.720 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.388 -1.747 -12.867 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.015 -0.012 -11.511 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.422 0.782 -11.537 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.602 -0.828 -10.800 1.00 0.00 H new ATOM 306 N SER A 39 1.917 -3.320 -14.504 1.00 0.00 N ATOM 307 CA SER A 39 2.029 -4.240 -15.668 1.00 0.00 C ATOM 308 C SER A 39 1.043 -3.950 -16.839 1.00 0.00 C ATOM 309 O SER A 39 1.499 -3.578 -17.924 1.00 0.00 O ATOM 310 CB SER A 39 1.963 -5.691 -15.129 1.00 0.00 C ATOM 311 OG SER A 39 2.153 -6.637 -16.176 1.00 0.00 O ATOM 0 H SER A 39 1.750 -3.805 -13.622 1.00 0.00 H new ATOM 0 HA SER A 39 2.990 -4.071 -16.153 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.726 -5.833 -14.364 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.998 -5.861 -14.652 1.00 0.00 H new ATOM 0 HG SER A 39 2.109 -7.545 -15.809 1.00 0.00 H new ATOM 312 N ASP A 40 -0.279 -4.049 -16.602 1.00 0.00 N ATOM 313 CA ASP A 40 -1.304 -3.500 -17.535 1.00 0.00 C ATOM 314 C ASP A 40 -1.623 -1.976 -17.348 1.00 0.00 C ATOM 315 O ASP A 40 -2.067 -1.356 -18.317 1.00 0.00 O ATOM 316 CB ASP A 40 -2.581 -4.380 -17.409 1.00 0.00 C ATOM 317 CG ASP A 40 -3.632 -4.185 -18.513 1.00 0.00 C ATOM 318 OD1 ASP A 40 -3.369 -4.575 -19.672 1.00 0.00 O ATOM 319 OD2 ASP A 40 -4.716 -3.634 -18.228 1.00 0.00 O ATOM 0 H ASP A 40 -0.670 -4.502 -15.776 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.893 -3.546 -18.544 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.279 -5.427 -17.400 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.049 -4.175 -16.446 1.00 0.00 H new ATOM 320 N LYS A 41 -1.454 -1.395 -16.131 1.00 0.00 N ATOM 321 CA LYS A 41 -1.994 -0.063 -15.734 1.00 0.00 C ATOM 322 C LYS A 41 -3.475 -0.239 -15.299 1.00 0.00 C ATOM 323 O LYS A 41 -4.379 -0.022 -16.114 1.00 0.00 O ATOM 324 CB LYS A 41 -1.684 1.129 -16.692 1.00 0.00 C ATOM 325 CG LYS A 41 -1.913 2.521 -16.056 1.00 0.00 C ATOM 326 CD LYS A 41 -1.503 3.718 -16.934 1.00 0.00 C ATOM 327 CE LYS A 41 0.023 3.912 -17.067 1.00 0.00 C ATOM 328 NZ LYS A 41 0.347 5.131 -17.829 1.00 0.00 N ATOM 0 H LYS A 41 -0.929 -1.847 -15.382 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.429 0.286 -14.870 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.648 1.057 -17.022 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.308 1.040 -17.581 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.969 2.619 -15.806 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.358 2.571 -15.119 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.929 3.588 -17.929 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.938 4.626 -16.517 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.471 3.971 -16.075 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.459 3.045 -17.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.380 5.232 -17.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.061 5.062 -18.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.049 5.960 -17.342 1.00 0.00 H new ATOM 329 N LYS A 42 -3.718 -0.672 -14.037 1.00 0.00 N ATOM 330 CA LYS A 42 -5.092 -0.976 -13.560 1.00 0.00 C ATOM 331 C LYS A 42 -5.254 -0.844 -12.027 1.00 0.00 C ATOM 332 O LYS A 42 -4.561 -1.512 -11.260 1.00 0.00 O ATOM 333 CB LYS A 42 -5.568 -2.370 -14.063 1.00 0.00 C ATOM 334 CG LYS A 42 -7.090 -2.619 -13.953 1.00 0.00 C ATOM 335 CD LYS A 42 -7.502 -4.055 -14.337 1.00 0.00 C ATOM 336 CE LYS A 42 -9.019 -4.281 -14.205 1.00 0.00 C ATOM 337 NZ LYS A 42 -9.390 -5.678 -14.502 1.00 0.00 N ATOM 0 H LYS A 42 -2.990 -0.818 -13.338 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.739 -0.214 -13.996 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.271 -2.484 -15.105 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.047 -3.142 -13.496 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.411 -2.417 -12.931 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.614 -1.913 -14.597 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.194 -4.257 -15.363 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.974 -4.765 -13.700 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.338 -4.027 -13.194 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.547 -3.612 -14.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.419 -5.792 -14.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.108 -5.913 -15.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.905 -6.315 -13.838 1.00 0.00 H new ATOM 338 N LYS A 43 -6.243 -0.028 -11.605 1.00 0.00 N ATOM 339 CA LYS A 43 -6.527 0.237 -10.174 1.00 0.00 C ATOM 340 C LYS A 43 -7.183 -0.979 -9.470 1.00 0.00 C ATOM 341 O LYS A 43 -8.343 -1.325 -9.723 1.00 0.00 O ATOM 342 CB LYS A 43 -7.286 1.580 -9.980 1.00 0.00 C ATOM 343 CG LYS A 43 -8.730 1.709 -10.522 1.00 0.00 C ATOM 344 CD LYS A 43 -9.294 3.135 -10.358 1.00 0.00 C ATOM 345 CE LYS A 43 -10.780 3.293 -10.732 1.00 0.00 C ATOM 346 NZ LYS A 43 -11.031 3.233 -12.187 1.00 0.00 N ATOM 0 H LYS A 43 -6.867 0.466 -12.243 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.574 0.368 -9.662 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.315 1.790 -8.911 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.689 2.366 -10.443 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.745 1.434 -11.577 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.376 1.003 -9.999 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.160 3.446 -9.322 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.705 3.816 -10.973 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.356 2.510 -10.239 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.144 4.246 -10.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.049 3.346 -12.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.508 3.997 -12.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.713 2.314 -12.557 1.00 0.00 H new ATOM 347 N ILE A 44 -6.413 -1.609 -8.562 1.00 0.00 N ATOM 348 CA ILE A 44 -6.937 -2.633 -7.611 1.00 0.00 C ATOM 349 C ILE A 44 -7.783 -1.913 -6.522 1.00 0.00 C ATOM 350 O ILE A 44 -8.969 -2.241 -6.402 1.00 0.00 O ATOM 351 CB ILE A 44 -5.782 -3.591 -7.109 1.00 0.00 C ATOM 352 CG1 ILE A 44 -5.458 -4.758 -8.091 1.00 0.00 C ATOM 353 CG2 ILE A 44 -6.016 -4.244 -5.718 1.00 0.00 C ATOM 354 CD1 ILE A 44 -5.032 -4.379 -9.513 1.00 0.00 C ATOM 0 H ILE A 44 -5.414 -1.430 -8.460 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.623 -3.327 -8.096 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.948 -2.893 -7.044 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.664 -5.360 -7.650 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.340 -5.395 -8.161 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.167 -4.881 -5.468 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.120 -3.465 -4.963 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.925 -4.845 -5.747 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.838 -5.284 -10.088 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.828 -3.809 -9.992 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.127 -3.774 -9.472 1.00 0.00 H new ATOM 355 N ALA A 45 -7.213 -0.958 -5.746 1.00 0.00 N ATOM 356 CA ALA A 45 -7.971 -0.289 -4.667 1.00 0.00 C ATOM 357 C ALA A 45 -7.489 1.160 -4.458 1.00 0.00 C ATOM 358 O ALA A 45 -6.343 1.521 -4.765 1.00 0.00 O ATOM 359 CB ALA A 45 -7.819 -1.136 -3.400 1.00 0.00 C ATOM 0 H ALA A 45 -6.249 -0.640 -5.846 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.025 -0.214 -4.933 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.368 -0.669 -2.582 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.217 -2.135 -3.580 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.764 -1.208 -3.135 1.00 0.00 H new ATOM 360 N GLN A 46 -8.383 1.994 -3.899 1.00 0.00 N ATOM 361 CA GLN A 46 -8.009 3.354 -3.456 1.00 0.00 C ATOM 362 C GLN A 46 -8.819 3.775 -2.210 1.00 0.00 C ATOM 363 O GLN A 46 -9.937 3.314 -1.942 1.00 0.00 O ATOM 364 CB GLN A 46 -8.095 4.411 -4.601 1.00 0.00 C ATOM 365 CG GLN A 46 -9.497 4.882 -5.059 1.00 0.00 C ATOM 366 CD GLN A 46 -9.450 5.999 -6.112 1.00 0.00 C ATOM 367 OE1 GLN A 46 -9.351 7.182 -5.784 1.00 0.00 O ATOM 368 NE2 GLN A 46 -9.523 5.657 -7.388 1.00 0.00 N ATOM 0 H GLN A 46 -9.362 1.756 -3.743 1.00 0.00 H new ATOM 0 HA GLN A 46 -6.958 3.316 -3.170 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -7.535 5.291 -4.284 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.581 4.002 -5.471 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.043 4.031 -5.466 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.056 5.234 -4.192 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.605 4.674 -7.649 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -9.497 6.376 -8.111 1.00 0.00 H new ATOM 369 N PHE A 47 -8.207 4.720 -1.483 1.00 0.00 N ATOM 370 CA PHE A 47 -8.803 5.344 -0.284 1.00 0.00 C ATOM 371 C PHE A 47 -9.182 6.813 -0.553 1.00 0.00 C ATOM 372 O PHE A 47 -8.777 7.417 -1.550 1.00 0.00 O ATOM 373 CB PHE A 47 -7.815 5.145 0.905 1.00 0.00 C ATOM 374 CG PHE A 47 -8.166 3.886 1.713 1.00 0.00 C ATOM 375 CD1 PHE A 47 -8.186 2.614 1.121 1.00 0.00 C ATOM 376 CD2 PHE A 47 -8.715 4.059 2.984 1.00 0.00 C ATOM 377 CE1 PHE A 47 -8.815 1.557 1.773 1.00 0.00 C ATOM 378 CE2 PHE A 47 -9.330 2.995 3.641 1.00 0.00 C ATOM 379 CZ PHE A 47 -9.398 1.755 3.024 1.00 0.00 C ATOM 0 H PHE A 47 -7.279 5.078 -1.708 1.00 0.00 H new ATOM 0 HA PHE A 47 -9.745 4.864 -0.018 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.796 5.065 0.526 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.845 6.019 1.556 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.715 2.455 0.162 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.663 5.026 3.463 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -8.851 0.582 1.309 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.751 3.135 4.625 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.905 0.938 3.515 1.00 0.00 H new ATOM 380 N ARG A 48 -9.996 7.308 0.393 1.00 0.00 N ATOM 381 CA ARG A 48 -10.597 8.659 0.479 1.00 0.00 C ATOM 382 C ARG A 48 -11.057 9.430 -0.786 1.00 0.00 C ATOM 383 O ARG A 48 -10.284 9.560 -1.728 1.00 0.00 O ATOM 384 CB ARG A 48 -10.031 9.580 1.589 1.00 0.00 C ATOM 385 CG ARG A 48 -9.888 8.951 2.999 1.00 0.00 C ATOM 386 CD ARG A 48 -9.384 9.946 4.057 1.00 0.00 C ATOM 387 NE ARG A 48 -9.082 9.270 5.341 1.00 0.00 N ATOM 388 CZ ARG A 48 -8.489 9.870 6.392 1.00 0.00 C ATOM 389 NH1 ARG A 48 -8.108 11.148 6.409 1.00 0.00 N ATOM 390 NH2 ARG A 48 -8.270 9.149 7.474 1.00 0.00 N ATOM 0 H ARG A 48 -10.277 6.730 1.185 1.00 0.00 H new ATOM 0 HA ARG A 48 -11.571 8.291 0.802 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -9.050 9.935 1.272 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.676 10.455 1.669 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -10.854 8.555 3.313 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.200 8.108 2.946 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -8.488 10.447 3.689 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -10.137 10.718 4.219 1.00 0.00 H new ATOM 0 HE ARG A 48 -9.340 8.288 5.435 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.261 11.737 5.590 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.664 11.537 7.241 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.547 8.168 7.498 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.823 9.572 8.287 1.00 0.00 H new ATOM 391 N LYS A 49 -12.291 9.985 -0.792 1.00 0.00 N ATOM 392 CA LYS A 49 -12.769 10.971 -1.809 1.00 0.00 C ATOM 393 C LYS A 49 -12.860 10.441 -3.276 1.00 0.00 C ATOM 394 O LYS A 49 -12.054 9.627 -3.738 1.00 0.00 O ATOM 395 CB LYS A 49 -12.019 12.343 -1.726 1.00 0.00 C ATOM 396 CG LYS A 49 -12.392 13.272 -0.549 1.00 0.00 C ATOM 397 CD LYS A 49 -13.808 13.889 -0.657 1.00 0.00 C ATOM 398 CE LYS A 49 -14.181 14.893 0.455 1.00 0.00 C ATOM 399 NZ LYS A 49 -13.495 16.191 0.326 1.00 0.00 N ATOM 0 H LYS A 49 -12.995 9.764 -0.088 1.00 0.00 H new ATOM 0 HA LYS A 49 -13.806 11.143 -1.521 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.949 12.142 -1.674 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -12.197 12.884 -2.655 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.323 12.708 0.381 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -11.660 14.077 -0.489 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.894 14.392 -1.620 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.539 13.081 -0.653 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.259 15.057 0.440 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.939 14.457 1.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.789 16.818 1.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.466 16.046 0.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.745 16.627 -0.585 1.00 0.00 H new ATOM 400 N GLU A 50 -13.843 10.984 -4.019 1.00 0.00 N ATOM 401 CA GLU A 50 -13.961 10.845 -5.501 1.00 0.00 C ATOM 402 C GLU A 50 -14.419 9.410 -5.892 1.00 0.00 C ATOM 403 O GLU A 50 -13.595 8.499 -6.015 1.00 0.00 O ATOM 404 CB GLU A 50 -12.705 11.382 -6.256 1.00 0.00 C ATOM 405 CG GLU A 50 -12.889 11.613 -7.770 1.00 0.00 C ATOM 406 CD GLU A 50 -11.629 12.178 -8.426 1.00 0.00 C ATOM 407 OE1 GLU A 50 -11.460 13.419 -8.447 1.00 0.00 O ATOM 408 OE2 GLU A 50 -10.798 11.385 -8.926 1.00 0.00 O ATOM 0 H GLU A 50 -14.593 11.541 -3.610 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.759 11.501 -5.849 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -12.401 12.323 -5.797 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.886 10.677 -6.110 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -13.155 10.671 -8.250 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.720 12.299 -7.933 1.00 0.00 H new ATOM 409 N LYS A 51 -15.746 9.235 -6.053 1.00 0.00 N ATOM 410 CA LYS A 51 -16.402 7.904 -6.323 1.00 0.00 C ATOM 411 C LYS A 51 -16.386 6.740 -5.264 1.00 0.00 C ATOM 412 O LYS A 51 -16.767 5.592 -5.516 1.00 0.00 O ATOM 413 CB LYS A 51 -16.036 7.392 -7.736 1.00 0.00 C ATOM 414 CG LYS A 51 -16.887 7.917 -8.914 1.00 0.00 C ATOM 415 CD LYS A 51 -18.328 7.361 -8.960 1.00 0.00 C ATOM 416 CE LYS A 51 -19.131 7.869 -10.172 1.00 0.00 C ATOM 417 NZ LYS A 51 -20.519 7.371 -10.156 1.00 0.00 N ATOM 0 H LYS A 51 -16.411 10.006 -6.002 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.449 8.193 -6.229 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.994 7.648 -7.930 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -16.101 6.304 -7.730 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -16.932 9.005 -8.857 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -16.385 7.667 -9.849 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -18.291 6.272 -8.987 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -18.848 7.640 -8.044 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -19.136 8.959 -10.174 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -18.641 7.551 -11.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -21.028 7.734 -10.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -20.515 6.331 -10.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -20.994 7.696 -9.290 1.00 0.00 H new ATOM 418 N GLU A 52 -16.008 7.139 -4.068 1.00 0.00 N ATOM 419 CA GLU A 52 -16.044 6.354 -2.795 1.00 0.00 C ATOM 420 C GLU A 52 -14.784 5.455 -2.590 1.00 0.00 C ATOM 421 O GLU A 52 -14.111 5.041 -3.540 1.00 0.00 O ATOM 422 CB GLU A 52 -17.376 5.585 -2.503 1.00 0.00 C ATOM 423 CG GLU A 52 -18.635 6.468 -2.376 1.00 0.00 C ATOM 424 CD GLU A 52 -19.885 5.666 -2.006 1.00 0.00 C ATOM 425 OE1 GLU A 52 -20.512 5.071 -2.910 1.00 0.00 O ATOM 426 OE2 GLU A 52 -20.248 5.630 -0.811 1.00 0.00 O ATOM 0 H GLU A 52 -15.639 8.078 -3.921 1.00 0.00 H new ATOM 0 HA GLU A 52 -16.016 7.131 -2.031 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -17.540 4.860 -3.301 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -17.254 5.020 -1.579 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -18.462 7.233 -1.619 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -18.807 6.986 -3.319 1.00 0.00 H new ATOM 427 N THR A 53 -14.504 5.134 -1.308 1.00 0.00 N ATOM 428 CA THR A 53 -13.443 4.174 -0.894 1.00 0.00 C ATOM 429 C THR A 53 -13.857 2.711 -1.252 1.00 0.00 C ATOM 430 O THR A 53 -14.963 2.267 -0.928 1.00 0.00 O ATOM 431 CB THR A 53 -13.186 4.355 0.636 1.00 0.00 C ATOM 432 OG1 THR A 53 -12.704 5.671 0.896 1.00 0.00 O ATOM 433 CG2 THR A 53 -12.178 3.380 1.266 1.00 0.00 C ATOM 0 H THR A 53 -15.011 5.535 -0.519 1.00 0.00 H new ATOM 0 HA THR A 53 -12.517 4.375 -1.432 1.00 0.00 H new ATOM 0 HB THR A 53 -14.156 4.152 1.089 1.00 0.00 H new ATOM 0 HG1 THR A 53 -12.547 5.778 1.857 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.078 3.597 2.329 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.531 2.357 1.136 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.209 3.494 0.780 1.00 0.00 H new ATOM 434 N PHE A 54 -12.930 1.981 -1.895 1.00 0.00 N ATOM 435 CA PHE A 54 -13.113 0.545 -2.251 1.00 0.00 C ATOM 436 C PHE A 54 -11.792 -0.237 -1.981 1.00 0.00 C ATOM 437 O PHE A 54 -10.697 0.225 -2.334 1.00 0.00 O ATOM 438 CB PHE A 54 -13.663 0.353 -3.696 1.00 0.00 C ATOM 439 CG PHE A 54 -12.832 0.900 -4.879 1.00 0.00 C ATOM 440 CD1 PHE A 54 -11.842 0.112 -5.477 1.00 0.00 C ATOM 441 CD2 PHE A 54 -13.063 2.190 -5.368 1.00 0.00 C ATOM 442 CE1 PHE A 54 -11.089 0.613 -6.537 1.00 0.00 C ATOM 443 CE2 PHE A 54 -12.307 2.690 -6.427 1.00 0.00 C ATOM 444 CZ PHE A 54 -11.315 1.902 -7.004 1.00 0.00 C ATOM 0 H PHE A 54 -12.029 2.361 -2.187 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.884 0.122 -1.607 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -13.806 -0.715 -3.857 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -14.648 0.817 -3.740 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -11.661 -0.889 -5.115 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.832 2.803 -4.922 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -10.329 -0.001 -6.996 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -12.491 3.687 -6.799 1.00 0.00 H new ATOM 0 HZ PHE A 54 -10.720 2.293 -7.816 1.00 0.00 H new ATOM 445 N LYS A 55 -11.933 -1.429 -1.367 1.00 0.00 N ATOM 446 CA LYS A 55 -10.791 -2.316 -1.000 1.00 0.00 C ATOM 447 C LYS A 55 -10.859 -3.645 -1.815 1.00 0.00 C ATOM 448 O LYS A 55 -9.990 -3.883 -2.656 1.00 0.00 O ATOM 449 CB LYS A 55 -10.634 -2.587 0.532 1.00 0.00 C ATOM 450 CG LYS A 55 -10.932 -1.456 1.545 1.00 0.00 C ATOM 451 CD LYS A 55 -12.359 -1.505 2.127 1.00 0.00 C ATOM 452 CE LYS A 55 -12.592 -0.466 3.235 1.00 0.00 C ATOM 453 NZ LYS A 55 -13.941 -0.599 3.816 1.00 0.00 N ATOM 0 H LYS A 55 -12.842 -1.812 -1.107 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.888 -1.768 -1.269 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.282 -3.427 0.782 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.608 -2.914 0.701 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.214 -1.514 2.363 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.781 -0.493 1.056 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.078 -1.340 1.325 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.549 -2.502 2.525 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.843 -0.590 4.017 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.466 0.537 2.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.070 0.115 4.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.655 -0.457 3.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.051 -1.549 4.224 1.00 0.00 H new ATOM 454 N GLU A 56 -11.883 -4.497 -1.557 1.00 0.00 N ATOM 455 CA GLU A 56 -12.126 -5.793 -2.258 1.00 0.00 C ATOM 456 C GLU A 56 -11.097 -6.891 -1.849 1.00 0.00 C ATOM 457 O GLU A 56 -9.919 -6.791 -2.201 1.00 0.00 O ATOM 458 CB GLU A 56 -12.306 -5.703 -3.807 1.00 0.00 C ATOM 459 CG GLU A 56 -13.386 -4.733 -4.344 1.00 0.00 C ATOM 460 CD GLU A 56 -14.824 -5.080 -3.945 1.00 0.00 C ATOM 461 OE1 GLU A 56 -15.480 -5.864 -4.664 1.00 0.00 O ATOM 462 OE2 GLU A 56 -15.300 -4.571 -2.908 1.00 0.00 O ATOM 0 H GLU A 56 -12.582 -4.302 -0.840 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.108 -6.100 -1.897 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.349 -5.415 -4.241 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.536 -6.702 -4.178 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.159 -3.728 -3.989 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.323 -4.709 -5.432 1.00 0.00 H new ATOM 463 N LYS A 57 -11.562 -7.936 -1.126 1.00 0.00 N ATOM 464 CA LYS A 57 -10.747 -9.129 -0.725 1.00 0.00 C ATOM 465 C LYS A 57 -9.811 -8.860 0.488 1.00 0.00 C ATOM 466 O LYS A 57 -9.249 -7.770 0.627 1.00 0.00 O ATOM 467 CB LYS A 57 -9.944 -9.845 -1.856 1.00 0.00 C ATOM 468 CG LYS A 57 -10.752 -10.260 -3.108 1.00 0.00 C ATOM 469 CD LYS A 57 -9.891 -10.990 -4.162 1.00 0.00 C ATOM 470 CE LYS A 57 -10.600 -11.255 -5.502 1.00 0.00 C ATOM 471 NZ LYS A 57 -11.714 -12.220 -5.404 1.00 0.00 N ATOM 0 H LYS A 57 -12.526 -7.984 -0.795 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.532 -9.828 -0.434 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.136 -9.186 -2.173 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.481 -10.738 -1.435 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.574 -10.908 -2.805 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.195 -9.372 -3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.995 -10.399 -4.352 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.562 -11.942 -3.746 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.981 -10.312 -5.894 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.871 -11.627 -6.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.144 -12.350 -6.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.353 -13.133 -5.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.430 -11.858 -4.742 1.00 0.00 H new ATOM 472 N ASP A 58 -9.573 -9.899 1.317 1.00 0.00 N ATOM 473 CA ASP A 58 -8.453 -9.905 2.320 1.00 0.00 C ATOM 474 C ASP A 58 -7.015 -9.965 1.734 1.00 0.00 C ATOM 475 O ASP A 58 -6.101 -9.319 2.258 1.00 0.00 O ATOM 476 CB ASP A 58 -8.567 -11.042 3.372 1.00 0.00 C ATOM 477 CG ASP A 58 -9.876 -11.101 4.168 1.00 0.00 C ATOM 478 OD1 ASP A 58 -10.067 -10.263 5.080 1.00 0.00 O ATOM 479 OD2 ASP A 58 -10.721 -11.979 3.885 1.00 0.00 O ATOM 0 H ASP A 58 -10.134 -10.751 1.322 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.589 -8.930 2.787 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.434 -11.996 2.861 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.742 -10.940 4.077 1.00 0.00 H new ATOM 480 N THR A 59 -6.852 -10.726 0.641 1.00 0.00 N ATOM 481 CA THR A 59 -5.611 -10.744 -0.187 1.00 0.00 C ATOM 482 C THR A 59 -5.126 -9.370 -0.755 1.00 0.00 C ATOM 483 O THR A 59 -3.950 -9.290 -1.105 1.00 0.00 O ATOM 484 CB THR A 59 -5.687 -11.807 -1.324 1.00 0.00 C ATOM 485 OG1 THR A 59 -6.733 -11.496 -2.244 1.00 0.00 O ATOM 486 CG2 THR A 59 -5.852 -13.263 -0.855 1.00 0.00 C ATOM 0 H THR A 59 -7.576 -11.355 0.295 1.00 0.00 H new ATOM 0 HA THR A 59 -4.845 -11.024 0.536 1.00 0.00 H new ATOM 0 HB THR A 59 -4.711 -11.750 -1.805 1.00 0.00 H new ATOM 0 HG1 THR A 59 -6.761 -12.176 -2.950 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.894 -13.922 -1.722 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.005 -13.542 -0.228 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.774 -13.358 -0.282 1.00 0.00 H new ATOM 487 N TYR A 60 -5.961 -8.303 -0.804 1.00 0.00 N ATOM 488 CA TYR A 60 -5.451 -6.910 -0.737 1.00 0.00 C ATOM 489 C TYR A 60 -6.547 -5.962 -0.181 1.00 0.00 C ATOM 490 O TYR A 60 -7.603 -5.788 -0.800 1.00 0.00 O ATOM 491 CB TYR A 60 -4.781 -6.417 -2.065 1.00 0.00 C ATOM 492 CG TYR A 60 -3.251 -6.168 -2.063 1.00 0.00 C ATOM 493 CD1 TYR A 60 -2.380 -6.597 -1.051 1.00 0.00 C ATOM 494 CD2 TYR A 60 -2.714 -5.397 -3.104 1.00 0.00 C ATOM 495 CE1 TYR A 60 -1.039 -6.245 -1.057 1.00 0.00 C ATOM 496 CE2 TYR A 60 -1.358 -5.091 -3.114 1.00 0.00 C ATOM 497 CZ TYR A 60 -0.508 -5.577 -2.136 1.00 0.00 C ATOM 498 OH TYR A 60 0.852 -5.474 -2.250 1.00 0.00 O ATOM 0 H TYR A 60 -6.975 -8.377 -0.888 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.624 -6.893 -0.027 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.998 -7.152 -2.840 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.269 -5.488 -2.360 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.762 -7.214 -0.251 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.354 -5.041 -3.898 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.411 -6.495 -0.215 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.961 -4.463 -3.898 1.00 0.00 H new ATOM 0 HH TYR A 60 1.092 -5.338 -3.190 1.00 0.00 H new ATOM 499 N LYS A 61 -6.274 -5.364 0.999 1.00 0.00 N ATOM 500 CA LYS A 61 -7.253 -4.523 1.740 1.00 0.00 C ATOM 501 C LYS A 61 -6.464 -3.348 2.372 1.00 0.00 C ATOM 502 O LYS A 61 -5.630 -3.562 3.264 1.00 0.00 O ATOM 503 CB LYS A 61 -7.962 -5.375 2.821 1.00 0.00 C ATOM 504 CG LYS A 61 -9.202 -4.696 3.448 1.00 0.00 C ATOM 505 CD LYS A 61 -9.938 -5.536 4.506 1.00 0.00 C ATOM 506 CE LYS A 61 -9.171 -5.715 5.830 1.00 0.00 C ATOM 507 NZ LYS A 61 -9.984 -6.443 6.821 1.00 0.00 N ATOM 0 H LYS A 61 -5.372 -5.447 1.468 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.026 -4.133 1.077 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.266 -6.324 2.379 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.249 -5.606 3.612 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.891 -3.756 3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.903 -4.447 2.651 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.899 -5.068 4.719 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.149 -6.520 4.087 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.244 -6.258 5.646 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.895 -4.739 6.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.443 -6.549 7.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.857 -5.911 7.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.226 -7.383 6.448 1.00 0.00 H new ATOM 508 N LEU A 62 -6.708 -2.115 1.892 1.00 0.00 N ATOM 509 CA LEU A 62 -5.776 -0.979 2.141 1.00 0.00 C ATOM 510 C LEU A 62 -6.116 -0.338 3.528 1.00 0.00 C ATOM 511 O LEU A 62 -7.289 -0.106 3.825 1.00 0.00 O ATOM 512 CB LEU A 62 -5.584 0.021 0.941 1.00 0.00 C ATOM 513 CG LEU A 62 -5.768 -0.383 -0.571 1.00 0.00 C ATOM 514 CD1 LEU A 62 -4.951 0.483 -1.548 1.00 0.00 C ATOM 515 CD2 LEU A 62 -5.404 -1.825 -0.958 1.00 0.00 C ATOM 0 H LEU A 62 -7.528 -1.873 1.336 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.763 -1.376 2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.268 0.850 1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.572 0.417 1.031 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.845 -0.237 -0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.129 0.146 -2.569 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.255 1.525 -1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.890 0.392 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.577 -1.970 -2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.353 -2.008 -0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.023 -2.521 -0.392 1.00 0.00 H new ATOM 516 N PHE A 63 -5.125 -0.104 4.421 1.00 0.00 N ATOM 517 CA PHE A 63 -5.379 0.495 5.763 1.00 0.00 C ATOM 518 C PHE A 63 -5.681 2.024 5.697 1.00 0.00 C ATOM 519 O PHE A 63 -5.276 2.732 4.765 1.00 0.00 O ATOM 520 CB PHE A 63 -4.145 0.185 6.647 1.00 0.00 C ATOM 521 CG PHE A 63 -4.311 0.377 8.160 1.00 0.00 C ATOM 522 CD1 PHE A 63 -5.041 -0.556 8.907 1.00 0.00 C ATOM 523 CD2 PHE A 63 -3.717 1.462 8.812 1.00 0.00 C ATOM 524 CE1 PHE A 63 -5.138 -0.428 10.290 1.00 0.00 C ATOM 525 CE2 PHE A 63 -3.824 1.592 10.196 1.00 0.00 C ATOM 526 CZ PHE A 63 -4.527 0.645 10.933 1.00 0.00 C ATOM 0 H PHE A 63 -4.144 -0.318 4.242 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.278 0.055 6.195 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.849 -0.848 6.466 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.321 0.816 6.313 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.531 -1.379 8.408 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.174 2.201 8.242 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.687 -1.160 10.863 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.360 2.429 10.696 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.599 0.742 12.006 1.00 0.00 H new ATOM 527 N LYS A 64 -6.396 2.508 6.726 1.00 0.00 N ATOM 528 CA LYS A 64 -6.883 3.909 6.802 1.00 0.00 C ATOM 529 C LYS A 64 -5.795 5.002 6.998 1.00 0.00 C ATOM 530 O LYS A 64 -5.787 5.967 6.225 1.00 0.00 O ATOM 531 CB LYS A 64 -8.021 3.970 7.861 1.00 0.00 C ATOM 532 CG LYS A 64 -8.906 5.237 7.819 1.00 0.00 C ATOM 533 CD LYS A 64 -9.919 5.273 8.979 1.00 0.00 C ATOM 534 CE LYS A 64 -10.870 6.482 8.925 1.00 0.00 C ATOM 535 NZ LYS A 64 -11.752 6.511 10.103 1.00 0.00 N ATOM 0 H LYS A 64 -6.657 1.943 7.534 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.269 4.171 5.817 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.661 3.097 7.731 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.575 3.893 8.852 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.273 6.123 7.863 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.441 5.274 6.870 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.508 4.356 8.965 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.377 5.289 9.924 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.290 7.404 8.877 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.471 6.436 8.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.384 7.335 10.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.320 5.641 10.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.176 6.578 10.966 1.00 0.00 H new ATOM 536 N ASN A 65 -4.866 4.855 7.973 1.00 0.00 N ATOM 537 CA ASN A 65 -3.712 5.753 8.174 1.00 0.00 C ATOM 538 C ASN A 65 -2.840 6.006 6.898 1.00 0.00 C ATOM 539 O ASN A 65 -2.479 7.149 6.609 1.00 0.00 O ATOM 540 CB ASN A 65 -2.867 5.254 9.382 1.00 0.00 C ATOM 541 CG ASN A 65 -1.832 6.266 9.916 1.00 0.00 C ATOM 542 OD1 ASN A 65 -2.181 7.305 10.481 1.00 0.00 O ATOM 543 ND2 ASN A 65 -0.547 5.994 9.743 1.00 0.00 N ATOM 0 H ASN A 65 -4.902 4.094 8.652 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.120 6.738 8.398 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.544 4.987 10.194 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.345 4.343 9.089 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.162 6.646 10.078 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.267 5.132 9.275 1.00 0.00 H new ATOM 544 N GLY A 66 -2.556 4.918 6.166 1.00 0.00 N ATOM 545 CA GLY A 66 -1.939 4.991 4.824 1.00 0.00 C ATOM 546 C GLY A 66 -1.065 3.769 4.537 1.00 0.00 C ATOM 547 O GLY A 66 0.162 3.891 4.493 1.00 0.00 O ATOM 0 H GLY A 66 -2.744 3.966 6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.720 5.066 4.068 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.336 5.896 4.749 1.00 0.00 H new ATOM 548 N THR A 67 -1.696 2.588 4.391 1.00 0.00 N ATOM 549 CA THR A 67 -0.986 1.282 4.448 1.00 0.00 C ATOM 550 C THR A 67 -1.800 0.213 3.636 1.00 0.00 C ATOM 551 O THR A 67 -2.748 0.525 2.911 1.00 0.00 O ATOM 552 CB THR A 67 -0.594 1.011 5.958 1.00 0.00 C ATOM 553 OG1 THR A 67 0.674 1.606 6.208 1.00 0.00 O ATOM 554 CG2 THR A 67 -0.504 -0.430 6.471 1.00 0.00 C ATOM 0 H THR A 67 -2.700 2.505 4.232 1.00 0.00 H new ATOM 0 HA THR A 67 -0.024 1.249 3.936 1.00 0.00 H new ATOM 0 HB THR A 67 -1.443 1.435 6.494 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.785 2.393 5.634 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.224 -0.424 7.524 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.471 -0.919 6.355 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.248 -0.974 5.899 1.00 0.00 H new ATOM 555 N LEU A 68 -1.353 -1.056 3.685 1.00 0.00 N ATOM 556 CA LEU A 68 -1.985 -2.206 3.015 1.00 0.00 C ATOM 557 C LEU A 68 -1.632 -3.530 3.756 1.00 0.00 C ATOM 558 O LEU A 68 -0.547 -3.656 4.325 1.00 0.00 O ATOM 559 CB LEU A 68 -1.484 -2.205 1.543 1.00 0.00 C ATOM 560 CG LEU A 68 -2.504 -2.572 0.469 1.00 0.00 C ATOM 561 CD1 LEU A 68 -1.894 -2.433 -0.930 1.00 0.00 C ATOM 562 CD2 LEU A 68 -3.134 -3.950 0.651 1.00 0.00 C ATOM 0 H LEU A 68 -0.517 -1.316 4.208 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.072 -2.130 3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.095 -1.212 1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.647 -2.900 1.468 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.320 -1.858 0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.639 -2.700 -1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.574 -1.403 -1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.035 -3.098 -1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.847 -4.133 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.355 -4.712 0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.651 -3.990 1.610 1.00 0.00 H new ATOM 563 N LYS A 69 -2.543 -4.526 3.725 1.00 0.00 N ATOM 564 CA LYS A 69 -2.234 -5.941 4.080 1.00 0.00 C ATOM 565 C LYS A 69 -2.519 -6.863 2.843 1.00 0.00 C ATOM 566 O LYS A 69 -3.620 -6.863 2.275 1.00 0.00 O ATOM 567 CB LYS A 69 -3.077 -6.426 5.292 1.00 0.00 C ATOM 568 CG LYS A 69 -2.636 -6.046 6.723 1.00 0.00 C ATOM 569 CD LYS A 69 -2.778 -4.557 7.104 1.00 0.00 C ATOM 570 CE LYS A 69 -2.299 -4.261 8.536 1.00 0.00 C ATOM 571 NZ LYS A 69 -2.395 -2.822 8.839 1.00 0.00 N ATOM 0 H LYS A 69 -3.515 -4.379 3.454 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.182 -5.996 4.359 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.093 -6.055 5.153 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.125 -7.514 5.243 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.217 -6.638 7.430 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.592 -6.334 6.848 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.206 -3.951 6.402 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.822 -4.259 7.006 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.899 -4.827 9.248 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.268 -4.593 8.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.066 -2.649 9.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.803 -2.287 8.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.384 -2.513 8.748 1.00 0.00 H new ATOM 572 N ILE A 70 -1.502 -7.684 2.505 1.00 0.00 N ATOM 573 CA ILE A 70 -1.618 -8.937 1.694 1.00 0.00 C ATOM 574 C ILE A 70 -1.807 -10.055 2.771 1.00 0.00 C ATOM 575 O ILE A 70 -0.953 -10.220 3.651 1.00 0.00 O ATOM 576 CB ILE A 70 -0.354 -9.093 0.735 1.00 0.00 C ATOM 577 CG1 ILE A 70 -0.597 -9.565 -0.734 1.00 0.00 C ATOM 578 CG2 ILE A 70 0.820 -9.886 1.290 1.00 0.00 C ATOM 579 CD1 ILE A 70 0.521 -9.198 -1.756 1.00 0.00 C ATOM 0 H ILE A 70 -0.542 -7.496 2.794 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.453 -8.964 0.994 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.096 -8.035 0.697 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.721 -10.648 -0.732 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.537 -9.137 -1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.617 -9.923 0.548 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.189 -9.404 2.195 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.496 -10.900 1.525 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.250 -9.574 -2.743 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.634 -8.115 -1.798 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.463 -9.649 -1.443 1.00 0.00 H new ATOM 580 N LYS A 71 -2.936 -10.780 2.738 1.00 0.00 N ATOM 581 CA LYS A 71 -3.264 -11.779 3.794 1.00 0.00 C ATOM 582 C LYS A 71 -3.402 -13.160 3.116 1.00 0.00 C ATOM 583 O LYS A 71 -4.377 -13.421 2.401 1.00 0.00 O ATOM 584 CB LYS A 71 -4.557 -11.396 4.564 1.00 0.00 C ATOM 585 CG LYS A 71 -4.478 -10.087 5.386 1.00 0.00 C ATOM 586 CD LYS A 71 -5.761 -9.711 6.155 1.00 0.00 C ATOM 587 CE LYS A 71 -6.124 -10.681 7.297 1.00 0.00 C ATOM 588 NZ LYS A 71 -7.314 -10.230 8.036 1.00 0.00 N ATOM 0 H LYS A 71 -3.638 -10.702 2.003 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.465 -11.805 4.535 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.373 -11.306 3.847 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.814 -12.213 5.238 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.659 -10.175 6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.226 -9.269 4.711 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.642 -8.710 6.569 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.593 -9.669 5.452 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.305 -11.675 6.887 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.281 -10.768 7.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.528 -10.907 8.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.132 -9.293 8.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.124 -10.171 7.387 1.00 0.00 H new ATOM 589 N HIS A 72 -2.397 -14.029 3.345 1.00 0.00 N ATOM 590 CA HIS A 72 -2.289 -15.383 2.730 1.00 0.00 C ATOM 591 C HIS A 72 -1.981 -15.242 1.213 1.00 0.00 C ATOM 592 O HIS A 72 -2.896 -15.084 0.396 1.00 0.00 O ATOM 593 CB HIS A 72 -3.461 -16.371 3.020 1.00 0.00 C ATOM 594 CG HIS A 72 -3.802 -16.576 4.500 1.00 0.00 C ATOM 595 ND1 HIS A 72 -3.159 -17.467 5.346 1.00 0.00 N ATOM 596 CD2 HIS A 72 -4.818 -15.892 5.198 1.00 0.00 C ATOM 597 CE1 HIS A 72 -3.862 -17.246 6.502 1.00 0.00 C ATOM 598 NE2 HIS A 72 -4.867 -16.316 6.515 1.00 0.00 N ATOM 0 H HIS A 72 -1.621 -13.814 3.971 1.00 0.00 H new ATOM 0 HA HIS A 72 -1.454 -15.871 3.234 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.352 -16.010 2.507 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -3.213 -17.339 2.585 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -5.466 -15.144 4.767 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -3.625 -17.802 7.397 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -5.477 -16.020 7.277 1.00 0.00 H new ATOM 599 N LEU A 73 -0.682 -15.235 0.868 1.00 0.00 N ATOM 600 CA LEU A 73 -0.202 -15.008 -0.505 1.00 0.00 C ATOM 601 C LEU A 73 0.248 -16.351 -1.142 1.00 0.00 C ATOM 602 O LEU A 73 0.165 -17.450 -0.592 1.00 0.00 O ATOM 603 CB LEU A 73 0.722 -13.741 -0.561 1.00 0.00 C ATOM 604 CG LEU A 73 2.226 -13.856 -0.169 1.00 0.00 C ATOM 605 CD1 LEU A 73 3.113 -14.356 -1.322 1.00 0.00 C ATOM 606 CD2 LEU A 73 2.780 -12.516 0.348 1.00 0.00 C ATOM 0 H LEU A 73 0.070 -15.388 1.540 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.988 -14.707 -1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.681 -13.355 -1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.275 -12.985 0.085 1.00 0.00 H new ATOM 0 HG LEU A 73 2.260 -14.598 0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.148 -14.414 -0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.778 -15.344 -1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.043 -13.664 -2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.831 -12.634 0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.684 -11.758 -0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.218 -12.205 1.229 1.00 0.00 H new ATOM 607 N LYS A 74 0.620 -16.168 -2.395 1.00 0.00 N ATOM 608 CA LYS A 74 0.952 -17.213 -3.397 1.00 0.00 C ATOM 609 C LYS A 74 1.651 -16.478 -4.589 1.00 0.00 C ATOM 610 O LYS A 74 1.901 -15.264 -4.571 1.00 0.00 O ATOM 611 CB LYS A 74 -0.301 -18.022 -3.897 1.00 0.00 C ATOM 612 CG LYS A 74 -1.127 -18.835 -2.873 1.00 0.00 C ATOM 613 CD LYS A 74 -2.135 -19.822 -3.497 1.00 0.00 C ATOM 614 CE LYS A 74 -2.926 -20.586 -2.417 1.00 0.00 C ATOM 615 NZ LYS A 74 -3.866 -21.549 -3.009 1.00 0.00 N ATOM 0 H LYS A 74 0.710 -15.230 -2.785 1.00 0.00 H new ATOM 0 HA LYS A 74 1.601 -17.959 -2.939 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.977 -17.316 -4.379 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.040 -18.713 -4.668 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.442 -19.392 -2.234 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.669 -18.141 -2.231 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.828 -19.278 -4.139 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.604 -20.533 -4.131 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.232 -21.112 -1.761 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.474 -19.876 -1.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.380 -22.043 -2.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.544 -21.045 -3.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.340 -22.241 -3.580 1.00 0.00 H new ATOM 616 N THR A 75 1.930 -17.209 -5.687 1.00 0.00 N ATOM 617 CA THR A 75 2.330 -16.607 -6.980 1.00 0.00 C ATOM 618 C THR A 75 1.244 -15.679 -7.608 1.00 0.00 C ATOM 619 O THR A 75 1.471 -14.489 -7.835 1.00 0.00 O ATOM 620 CB THR A 75 2.878 -17.657 -8.005 1.00 0.00 C ATOM 621 OG1 THR A 75 3.678 -18.654 -7.385 1.00 0.00 O ATOM 622 CG2 THR A 75 3.710 -17.015 -9.130 1.00 0.00 C ATOM 0 H THR A 75 1.886 -18.228 -5.705 1.00 0.00 H new ATOM 0 HA THR A 75 3.166 -15.953 -6.730 1.00 0.00 H new ATOM 0 HB THR A 75 1.985 -18.114 -8.432 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.996 -19.287 -8.063 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.063 -17.791 -9.809 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.092 -16.305 -9.680 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.565 -16.494 -8.699 1.00 0.00 H new ATOM 623 N ASP A 76 0.068 -16.274 -7.830 1.00 0.00 N ATOM 624 CA ASP A 76 -1.177 -15.552 -8.194 1.00 0.00 C ATOM 625 C ASP A 76 -1.797 -14.604 -7.120 1.00 0.00 C ATOM 626 O ASP A 76 -2.475 -13.647 -7.506 1.00 0.00 O ATOM 627 CB ASP A 76 -2.216 -16.566 -8.755 1.00 0.00 C ATOM 628 CG ASP A 76 -2.715 -17.664 -7.791 1.00 0.00 C ATOM 629 OD1 ASP A 76 -3.654 -17.405 -7.006 1.00 0.00 O ATOM 630 OD2 ASP A 76 -2.159 -18.786 -7.812 1.00 0.00 O ATOM 0 H ASP A 76 -0.058 -17.284 -7.764 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.874 -14.841 -8.962 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.082 -16.005 -9.106 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.778 -17.053 -9.626 1.00 0.00 H new ATOM 631 N ASP A 77 -1.567 -14.843 -5.811 1.00 0.00 N ATOM 632 CA ASP A 77 -1.949 -13.883 -4.739 1.00 0.00 C ATOM 633 C ASP A 77 -0.869 -12.798 -4.403 1.00 0.00 C ATOM 634 O ASP A 77 -1.083 -12.074 -3.425 1.00 0.00 O ATOM 635 CB ASP A 77 -2.445 -14.675 -3.488 1.00 0.00 C ATOM 636 CG ASP A 77 -3.795 -15.389 -3.643 1.00 0.00 C ATOM 637 OD1 ASP A 77 -4.791 -14.740 -4.040 1.00 0.00 O ATOM 638 OD2 ASP A 77 -3.867 -16.609 -3.364 1.00 0.00 O ATOM 0 H ASP A 77 -1.119 -15.692 -5.465 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.771 -13.281 -5.126 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.690 -15.417 -3.228 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.515 -13.984 -2.648 1.00 0.00 H new ATOM 639 N GLN A 78 0.204 -12.572 -5.221 1.00 0.00 N ATOM 640 CA GLN A 78 0.924 -11.260 -5.195 1.00 0.00 C ATOM 641 C GLN A 78 1.359 -10.729 -6.595 1.00 0.00 C ATOM 642 O GLN A 78 1.513 -11.490 -7.555 1.00 0.00 O ATOM 643 CB GLN A 78 2.023 -11.188 -4.110 1.00 0.00 C ATOM 644 CG GLN A 78 3.347 -11.962 -4.316 1.00 0.00 C ATOM 645 CD GLN A 78 4.366 -11.719 -3.182 1.00 0.00 C ATOM 646 OE1 GLN A 78 4.057 -11.216 -2.105 1.00 0.00 O ATOM 647 NE2 GLN A 78 5.618 -12.057 -3.384 1.00 0.00 N ATOM 0 H GLN A 78 0.578 -13.253 -5.882 1.00 0.00 H new ATOM 0 HA GLN A 78 0.172 -10.537 -4.880 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.277 -10.137 -3.971 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.583 -11.536 -3.175 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.132 -13.029 -4.383 1.00 0.00 H new ATOM 0 HG3 GLN A 78 3.791 -11.666 -5.267 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.896 -12.476 -4.271 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.313 -11.900 -2.654 1.00 0.00 H new ATOM 648 N ASP A 79 1.500 -9.386 -6.689 1.00 0.00 N ATOM 649 CA ASP A 79 1.540 -8.660 -7.987 1.00 0.00 C ATOM 650 C ASP A 79 2.397 -7.351 -7.922 1.00 0.00 C ATOM 651 O ASP A 79 2.843 -6.916 -6.858 1.00 0.00 O ATOM 652 CB ASP A 79 0.069 -8.313 -8.377 1.00 0.00 C ATOM 653 CG ASP A 79 -0.221 -8.427 -9.877 1.00 0.00 C ATOM 654 OD1 ASP A 79 -0.523 -9.545 -10.353 1.00 0.00 O ATOM 655 OD2 ASP A 79 -0.137 -7.403 -10.586 1.00 0.00 O ATOM 0 H ASP A 79 1.589 -8.776 -5.876 1.00 0.00 H new ATOM 0 HA ASP A 79 2.013 -9.300 -8.732 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.606 -8.976 -7.835 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.153 -7.297 -8.051 1.00 0.00 H new ATOM 656 N ILE A 80 2.554 -6.684 -9.085 1.00 0.00 N ATOM 657 CA ILE A 80 3.314 -5.413 -9.229 1.00 0.00 C ATOM 658 C ILE A 80 2.399 -4.176 -8.877 1.00 0.00 C ATOM 659 O ILE A 80 1.218 -4.162 -9.234 1.00 0.00 O ATOM 660 CB ILE A 80 3.984 -5.356 -10.654 1.00 0.00 C ATOM 661 CG1 ILE A 80 4.975 -6.525 -10.992 1.00 0.00 C ATOM 662 CG2 ILE A 80 4.760 -4.037 -10.848 1.00 0.00 C ATOM 663 CD1 ILE A 80 4.344 -7.822 -11.527 1.00 0.00 C ATOM 0 H ILE A 80 2.154 -7.013 -9.964 1.00 0.00 H new ATOM 0 HA ILE A 80 4.132 -5.371 -8.510 1.00 0.00 H new ATOM 0 HB ILE A 80 3.133 -5.445 -11.330 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.691 -6.163 -11.730 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.540 -6.766 -10.091 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.213 -4.024 -11.840 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.076 -3.194 -10.750 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.541 -3.960 -10.092 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.128 -8.554 -11.724 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.651 -8.222 -10.787 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.805 -7.610 -12.451 1.00 0.00 H new ATOM 664 N TYR A 81 2.959 -3.156 -8.178 1.00 0.00 N ATOM 665 CA TYR A 81 2.199 -1.941 -7.731 1.00 0.00 C ATOM 666 C TYR A 81 2.969 -0.612 -7.998 1.00 0.00 C ATOM 667 O TYR A 81 4.188 -0.578 -8.162 1.00 0.00 O ATOM 668 CB TYR A 81 1.785 -2.042 -6.218 1.00 0.00 C ATOM 669 CG TYR A 81 0.633 -3.030 -5.981 1.00 0.00 C ATOM 670 CD1 TYR A 81 -0.692 -2.720 -6.326 1.00 0.00 C ATOM 671 CD2 TYR A 81 0.976 -4.358 -5.722 1.00 0.00 C ATOM 672 CE1 TYR A 81 -1.585 -3.747 -6.611 1.00 0.00 C ATOM 673 CE2 TYR A 81 0.090 -5.384 -6.026 1.00 0.00 C ATOM 674 CZ TYR A 81 -1.186 -5.079 -6.500 1.00 0.00 C ATOM 675 OH TYR A 81 -2.082 -6.084 -6.762 1.00 0.00 O ATOM 0 H TYR A 81 3.942 -3.144 -7.906 1.00 0.00 H new ATOM 0 HA TYR A 81 1.294 -1.915 -8.337 1.00 0.00 H new ATOM 0 HB2 TYR A 81 2.649 -2.350 -5.629 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.491 -1.055 -5.860 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.016 -1.691 -6.370 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.935 -4.589 -5.283 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.593 -3.512 -6.920 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.388 -6.414 -5.896 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.073 -6.730 -6.026 1.00 0.00 H new ATOM 676 N LYS A 82 2.240 0.516 -8.003 1.00 0.00 N ATOM 677 CA LYS A 82 2.804 1.846 -7.658 1.00 0.00 C ATOM 678 C LYS A 82 1.747 2.604 -6.804 1.00 0.00 C ATOM 679 O LYS A 82 0.543 2.569 -7.093 1.00 0.00 O ATOM 680 CB LYS A 82 3.332 2.675 -8.874 1.00 0.00 C ATOM 681 CG LYS A 82 2.376 3.593 -9.686 1.00 0.00 C ATOM 682 CD LYS A 82 1.499 2.911 -10.753 1.00 0.00 C ATOM 683 CE LYS A 82 2.004 3.159 -12.189 1.00 0.00 C ATOM 684 NZ LYS A 82 1.187 2.459 -13.189 1.00 0.00 N ATOM 0 H LYS A 82 1.249 0.540 -8.244 1.00 0.00 H new ATOM 0 HA LYS A 82 3.713 1.692 -7.077 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.143 3.303 -8.505 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.771 1.968 -9.577 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.719 4.106 -8.983 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.976 4.358 -10.178 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.471 1.838 -10.563 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.476 3.277 -10.664 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.994 4.229 -12.397 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.039 2.828 -12.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.796 2.124 -13.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.714 1.647 -12.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.471 3.110 -13.570 1.00 0.00 H new ATOM 685 N VAL A 83 2.221 3.350 -5.797 1.00 0.00 N ATOM 686 CA VAL A 83 1.370 4.280 -5.009 1.00 0.00 C ATOM 687 C VAL A 83 1.222 5.646 -5.732 1.00 0.00 C ATOM 688 O VAL A 83 2.180 6.167 -6.313 1.00 0.00 O ATOM 689 CB VAL A 83 1.907 4.405 -3.548 1.00 0.00 C ATOM 690 CG1 VAL A 83 3.190 5.246 -3.354 1.00 0.00 C ATOM 691 CG2 VAL A 83 0.844 4.850 -2.529 1.00 0.00 C ATOM 0 H VAL A 83 3.197 3.333 -5.500 1.00 0.00 H new ATOM 0 HA VAL A 83 0.363 3.870 -4.935 1.00 0.00 H new ATOM 0 HB VAL A 83 2.189 3.372 -3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.462 5.257 -2.298 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.003 4.808 -3.933 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.011 6.266 -3.693 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.294 4.913 -1.538 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.454 5.827 -2.814 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.030 4.125 -2.512 1.00 0.00 H new ATOM 692 N SER A 84 0.027 6.230 -5.610 1.00 0.00 N ATOM 693 CA SER A 84 -0.188 7.678 -5.817 1.00 0.00 C ATOM 694 C SER A 84 -1.050 8.177 -4.628 1.00 0.00 C ATOM 695 O SER A 84 -2.078 7.587 -4.284 1.00 0.00 O ATOM 696 CB SER A 84 -0.899 7.997 -7.144 1.00 0.00 C ATOM 697 OG SER A 84 -0.320 7.325 -8.257 1.00 0.00 O ATOM 0 H SER A 84 -0.822 5.720 -5.366 1.00 0.00 H new ATOM 0 HA SER A 84 0.780 8.178 -5.866 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.950 7.718 -7.064 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.867 9.072 -7.318 1.00 0.00 H new ATOM 0 HG SER A 84 0.206 7.961 -8.785 1.00 0.00 H new ATOM 698 N ILE A 85 -0.627 9.291 -4.027 1.00 0.00 N ATOM 699 CA ILE A 85 -1.351 9.929 -2.889 1.00 0.00 C ATOM 700 C ILE A 85 -1.941 11.257 -3.440 1.00 0.00 C ATOM 701 O ILE A 85 -1.202 12.167 -3.830 1.00 0.00 O ATOM 702 CB ILE A 85 -0.457 10.072 -1.603 1.00 0.00 C ATOM 703 CG1 ILE A 85 -0.026 8.698 -0.992 1.00 0.00 C ATOM 704 CG2 ILE A 85 -1.171 10.887 -0.492 1.00 0.00 C ATOM 705 CD1 ILE A 85 1.347 8.194 -1.443 1.00 0.00 C ATOM 0 H ILE A 85 0.221 9.786 -4.302 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.166 9.303 -2.527 1.00 0.00 H new ATOM 0 HB ILE A 85 0.434 10.598 -1.945 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.026 8.784 0.095 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.775 7.950 -1.253 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.520 10.963 0.379 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.398 11.886 -0.863 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.097 10.385 -0.211 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.557 7.236 -0.967 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.351 8.070 -2.526 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.112 8.917 -1.158 1.00 0.00 H new ATOM 706 N TYR A 86 -3.282 11.348 -3.442 1.00 0.00 N ATOM 707 CA TYR A 86 -4.022 12.556 -3.901 1.00 0.00 C ATOM 708 C TYR A 86 -4.593 13.283 -2.653 1.00 0.00 C ATOM 709 O TYR A 86 -5.056 12.657 -1.696 1.00 0.00 O ATOM 710 CB TYR A 86 -5.141 12.226 -4.933 1.00 0.00 C ATOM 711 CG TYR A 86 -4.887 11.275 -6.129 1.00 0.00 C ATOM 712 CD1 TYR A 86 -3.651 11.197 -6.776 1.00 0.00 C ATOM 713 CD2 TYR A 86 -5.956 10.514 -6.623 1.00 0.00 C ATOM 714 CE1 TYR A 86 -3.476 10.371 -7.883 1.00 0.00 C ATOM 715 CE2 TYR A 86 -5.781 9.684 -7.726 1.00 0.00 C ATOM 716 CZ TYR A 86 -4.539 9.609 -8.354 1.00 0.00 C ATOM 717 OH TYR A 86 -4.366 8.782 -9.433 1.00 0.00 O ATOM 0 H TYR A 86 -3.891 10.592 -3.128 1.00 0.00 H new ATOM 0 HA TYR A 86 -3.328 13.209 -4.430 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.977 11.811 -4.371 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.477 13.175 -5.350 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -2.821 11.785 -6.413 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -6.922 10.572 -6.144 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -2.516 10.322 -8.375 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -6.609 9.097 -8.096 1.00 0.00 H new ATOM 0 HH TYR A 86 -5.208 8.321 -9.630 1.00 0.00 H new ATOM 718 N ASP A 87 -4.580 14.622 -2.683 1.00 0.00 N ATOM 719 CA ASP A 87 -5.086 15.466 -1.562 1.00 0.00 C ATOM 720 C ASP A 87 -6.653 15.535 -1.548 1.00 0.00 C ATOM 721 O ASP A 87 -7.335 14.802 -2.274 1.00 0.00 O ATOM 722 CB ASP A 87 -4.375 16.856 -1.643 1.00 0.00 C ATOM 723 CG ASP A 87 -2.850 16.852 -1.435 1.00 0.00 C ATOM 724 OD1 ASP A 87 -2.380 16.387 -0.373 1.00 0.00 O ATOM 725 OD2 ASP A 87 -2.122 17.313 -2.341 1.00 0.00 O ATOM 0 H ASP A 87 -4.224 15.160 -3.473 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.837 15.021 -0.599 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.587 17.293 -2.619 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.821 17.513 -0.896 1.00 0.00 H new ATOM 726 N THR A 88 -7.234 16.402 -0.694 1.00 0.00 N ATOM 727 CA THR A 88 -8.711 16.619 -0.612 1.00 0.00 C ATOM 728 C THR A 88 -9.447 17.037 -1.928 1.00 0.00 C ATOM 729 O THR A 88 -10.550 16.537 -2.173 1.00 0.00 O ATOM 730 CB THR A 88 -9.133 17.464 0.635 1.00 0.00 C ATOM 731 OG1 THR A 88 -9.104 18.860 0.354 1.00 0.00 O ATOM 732 CG2 THR A 88 -8.400 17.201 1.966 1.00 0.00 C ATOM 0 H THR A 88 -6.702 16.975 -0.039 1.00 0.00 H new ATOM 0 HA THR A 88 -9.089 15.608 -0.461 1.00 0.00 H new ATOM 0 HB THR A 88 -10.148 17.107 0.809 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.374 19.360 1.152 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.799 17.860 2.737 1.00 0.00 H new ATOM 0 HG22 THR A 88 -8.547 16.163 2.263 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.335 17.394 1.839 1.00 0.00 H new ATOM 733 N LYS A 89 -8.833 17.890 -2.772 1.00 0.00 N ATOM 734 CA LYS A 89 -9.325 18.148 -4.160 1.00 0.00 C ATOM 735 C LYS A 89 -9.015 17.041 -5.224 1.00 0.00 C ATOM 736 O LYS A 89 -9.752 16.986 -6.216 1.00 0.00 O ATOM 737 CB LYS A 89 -8.807 19.523 -4.666 1.00 0.00 C ATOM 738 CG LYS A 89 -9.448 20.749 -3.968 1.00 0.00 C ATOM 739 CD LYS A 89 -8.997 22.090 -4.585 1.00 0.00 C ATOM 740 CE LYS A 89 -9.614 23.346 -3.939 1.00 0.00 C ATOM 741 NZ LYS A 89 -11.048 23.512 -4.237 1.00 0.00 N ATOM 0 H LYS A 89 -7.995 18.417 -2.526 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.411 18.141 -4.063 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.727 19.564 -4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.991 19.594 -5.738 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.533 20.672 -4.032 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.189 20.736 -2.909 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.912 22.159 -4.513 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.246 22.086 -5.646 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.478 23.294 -2.859 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.074 24.227 -4.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -11.401 24.374 -3.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.182 23.592 -5.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.574 22.688 -3.882 1.00 0.00 H new ATOM 742 N GLY A 90 -7.964 16.209 -5.074 1.00 0.00 N ATOM 743 CA GLY A 90 -7.543 15.246 -6.123 1.00 0.00 C ATOM 744 C GLY A 90 -6.338 15.776 -6.922 1.00 0.00 C ATOM 745 O GLY A 90 -6.485 16.129 -8.096 1.00 0.00 O ATOM 0 H GLY A 90 -7.386 16.182 -4.234 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -7.285 14.293 -5.661 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -8.376 15.057 -6.800 1.00 0.00 H new ATOM 746 N LYS A 91 -5.175 15.867 -6.255 1.00 0.00 N ATOM 747 CA LYS A 91 -3.970 16.544 -6.793 1.00 0.00 C ATOM 748 C LYS A 91 -2.760 15.711 -6.294 1.00 0.00 C ATOM 749 O LYS A 91 -2.489 15.664 -5.087 1.00 0.00 O ATOM 750 CB LYS A 91 -3.859 18.016 -6.296 1.00 0.00 C ATOM 751 CG LYS A 91 -4.919 18.998 -6.846 1.00 0.00 C ATOM 752 CD LYS A 91 -4.765 20.423 -6.275 1.00 0.00 C ATOM 753 CE LYS A 91 -5.787 21.416 -6.857 1.00 0.00 C ATOM 754 NZ LYS A 91 -5.622 22.755 -6.268 1.00 0.00 N ATOM 0 H LYS A 91 -5.038 15.474 -5.324 1.00 0.00 H new ATOM 0 HA LYS A 91 -4.012 16.596 -7.881 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.921 18.017 -5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -2.871 18.394 -6.559 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.843 19.036 -7.933 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -5.914 18.622 -6.609 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.876 20.389 -5.191 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.757 20.784 -6.481 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.666 21.474 -7.939 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.798 21.055 -6.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.324 23.404 -6.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.761 22.701 -5.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.665 23.108 -6.470 1.00 0.00 H new ATOM 755 N ASN A 92 -2.038 15.052 -7.222 1.00 0.00 N ATOM 756 CA ASN A 92 -0.981 14.072 -6.862 1.00 0.00 C ATOM 757 C ASN A 92 0.302 14.762 -6.312 1.00 0.00 C ATOM 758 O ASN A 92 0.993 15.506 -7.014 1.00 0.00 O ATOM 759 CB ASN A 92 -0.711 13.106 -8.053 1.00 0.00 C ATOM 760 CG ASN A 92 0.385 12.026 -7.883 1.00 0.00 C ATOM 761 OD1 ASN A 92 1.222 11.836 -8.760 1.00 0.00 O ATOM 762 ND2 ASN A 92 0.416 11.306 -6.770 1.00 0.00 N ATOM 0 H ASN A 92 -2.164 15.177 -8.227 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.343 13.462 -6.035 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.646 12.598 -8.288 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -0.450 13.712 -8.921 1.00 0.00 H new ATOM 0 HD21 ASN A 92 1.136 10.594 -6.643 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -0.280 11.464 -6.041 1.00 0.00 H new ATOM 763 N VAL A 93 0.592 14.440 -5.039 1.00 0.00 N ATOM 764 CA VAL A 93 1.813 14.884 -4.318 1.00 0.00 C ATOM 765 C VAL A 93 2.911 13.791 -4.477 1.00 0.00 C ATOM 766 O VAL A 93 3.787 13.908 -5.341 1.00 0.00 O ATOM 767 CB VAL A 93 1.499 15.385 -2.855 1.00 0.00 C ATOM 768 CG1 VAL A 93 1.175 16.894 -2.833 1.00 0.00 C ATOM 769 CG2 VAL A 93 0.435 14.598 -2.040 1.00 0.00 C ATOM 0 H VAL A 93 -0.019 13.856 -4.468 1.00 0.00 H new ATOM 0 HA VAL A 93 2.230 15.786 -4.767 1.00 0.00 H new ATOM 0 HB VAL A 93 2.433 15.178 -2.333 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.964 17.206 -1.810 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.028 17.455 -3.214 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.304 17.088 -3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.321 15.052 -1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.520 14.626 -2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.756 13.563 -1.927 1.00 0.00 H new ATOM 770 N LEU A 94 2.840 12.741 -3.653 1.00 0.00 N ATOM 771 CA LEU A 94 3.895 11.693 -3.546 1.00 0.00 C ATOM 772 C LEU A 94 3.511 10.472 -4.436 1.00 0.00 C ATOM 773 O LEU A 94 2.425 9.895 -4.289 1.00 0.00 O ATOM 774 CB LEU A 94 4.049 11.363 -2.027 1.00 0.00 C ATOM 775 CG LEU A 94 5.268 10.549 -1.508 1.00 0.00 C ATOM 776 CD1 LEU A 94 5.305 9.076 -1.953 1.00 0.00 C ATOM 777 CD2 LEU A 94 6.622 11.237 -1.765 1.00 0.00 C ATOM 0 H LEU A 94 2.048 12.581 -3.031 1.00 0.00 H new ATOM 0 HA LEU A 94 4.864 12.023 -3.920 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.047 12.312 -1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.152 10.824 -1.724 1.00 0.00 H new ATOM 0 HG LEU A 94 5.105 10.531 -0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.191 8.594 -1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.413 8.564 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.337 9.025 -3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.427 10.613 -1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.759 11.381 -2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.639 12.205 -1.264 1.00 0.00 H new ATOM 778 N GLU A 95 4.419 10.100 -5.363 1.00 0.00 N ATOM 779 CA GLU A 95 4.233 8.947 -6.291 1.00 0.00 C ATOM 780 C GLU A 95 5.542 8.094 -6.306 1.00 0.00 C ATOM 781 O GLU A 95 6.635 8.610 -6.561 1.00 0.00 O ATOM 782 CB GLU A 95 3.825 9.477 -7.695 1.00 0.00 C ATOM 783 CG GLU A 95 3.256 8.409 -8.653 1.00 0.00 C ATOM 784 CD GLU A 95 2.690 8.999 -9.950 1.00 0.00 C ATOM 785 OE1 GLU A 95 3.485 9.425 -10.819 1.00 0.00 O ATOM 786 OE2 GLU A 95 1.450 9.040 -10.104 1.00 0.00 O ATOM 0 H GLU A 95 5.306 10.587 -5.495 1.00 0.00 H new ATOM 0 HA GLU A 95 3.427 8.293 -5.957 1.00 0.00 H new ATOM 0 HB2 GLU A 95 3.081 10.264 -7.568 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.697 9.935 -8.162 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.042 7.696 -8.899 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.470 7.853 -8.141 1.00 0.00 H new ATOM 787 N LYS A 96 5.412 6.785 -6.007 1.00 0.00 N ATOM 788 CA LYS A 96 6.559 5.842 -5.806 1.00 0.00 C ATOM 789 C LYS A 96 6.180 4.433 -6.366 1.00 0.00 C ATOM 790 O LYS A 96 5.007 4.052 -6.390 1.00 0.00 O ATOM 791 CB LYS A 96 6.926 5.744 -4.294 1.00 0.00 C ATOM 792 CG LYS A 96 7.832 6.856 -3.720 1.00 0.00 C ATOM 793 CD LYS A 96 9.356 6.632 -3.865 1.00 0.00 C ATOM 794 CE LYS A 96 10.008 5.748 -2.776 1.00 0.00 C ATOM 795 NZ LYS A 96 9.808 4.302 -2.966 1.00 0.00 N ATOM 0 H LYS A 96 4.503 6.337 -5.895 1.00 0.00 H new ATOM 0 HA LYS A 96 7.429 6.219 -6.344 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.999 5.732 -3.720 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.417 4.786 -4.126 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.575 7.795 -4.209 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.601 6.975 -2.661 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.548 6.179 -4.838 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.850 7.604 -3.863 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.078 5.954 -2.751 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.605 6.034 -1.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.482 3.777 -2.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.837 4.047 -2.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.963 4.058 -3.965 1.00 0.00 H new ATOM 796 N ILE A 97 7.184 3.648 -6.810 1.00 0.00 N ATOM 797 CA ILE A 97 6.973 2.395 -7.606 1.00 0.00 C ATOM 798 C ILE A 97 7.473 1.157 -6.778 1.00 0.00 C ATOM 799 O ILE A 97 8.389 1.244 -5.950 1.00 0.00 O ATOM 800 CB ILE A 97 7.605 2.522 -9.041 1.00 0.00 C ATOM 801 CG1 ILE A 97 7.179 3.816 -9.818 1.00 0.00 C ATOM 802 CG2 ILE A 97 7.321 1.268 -9.912 1.00 0.00 C ATOM 803 CD1 ILE A 97 7.856 4.078 -11.176 1.00 0.00 C ATOM 0 H ILE A 97 8.167 3.855 -6.633 1.00 0.00 H new ATOM 0 HA ILE A 97 5.910 2.236 -7.786 1.00 0.00 H new ATOM 0 HB ILE A 97 8.677 2.601 -8.861 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.102 3.773 -9.980 1.00 0.00 H new ATOM 0 HG13 ILE A 97 7.370 4.675 -9.174 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.775 1.397 -10.895 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.744 0.387 -9.430 1.00 0.00 H new ATOM 0 HG23 ILE A 97 6.244 1.139 -10.024 1.00 0.00 H new ATOM 0 HD11 ILE A 97 7.469 5.003 -11.603 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.933 4.166 -11.035 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.645 3.250 -11.853 1.00 0.00 H new ATOM 804 N PHE A 98 6.779 0.015 -6.962 1.00 0.00 N ATOM 805 CA PHE A 98 6.880 -1.192 -6.083 1.00 0.00 C ATOM 806 C PHE A 98 6.632 -2.498 -6.909 1.00 0.00 C ATOM 807 O PHE A 98 6.114 -2.444 -8.031 1.00 0.00 O ATOM 808 CB PHE A 98 5.833 -1.102 -4.923 1.00 0.00 C ATOM 809 CG PHE A 98 6.069 0.024 -3.903 1.00 0.00 C ATOM 810 CD1 PHE A 98 5.593 1.315 -4.171 1.00 0.00 C ATOM 811 CD2 PHE A 98 6.825 -0.198 -2.748 1.00 0.00 C ATOM 812 CE1 PHE A 98 5.909 2.370 -3.330 1.00 0.00 C ATOM 813 CE2 PHE A 98 7.115 0.859 -1.893 1.00 0.00 C ATOM 814 CZ PHE A 98 6.678 2.143 -2.194 1.00 0.00 C ATOM 0 H PHE A 98 6.121 -0.107 -7.732 1.00 0.00 H new ATOM 0 HA PHE A 98 7.885 -1.225 -5.663 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.843 -0.971 -5.360 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.823 -2.054 -4.391 1.00 0.00 H new ATOM 0 HD1 PHE A 98 4.975 1.489 -5.040 1.00 0.00 H new ATOM 0 HD2 PHE A 98 7.184 -1.191 -2.520 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.559 3.366 -3.556 1.00 0.00 H new ATOM 0 HE2 PHE A 98 7.682 0.681 -0.991 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.936 2.966 -1.544 1.00 0.00 H new ATOM 815 N ASP A 99 7.005 -3.687 -6.382 1.00 0.00 N ATOM 816 CA ASP A 99 6.850 -4.971 -7.136 1.00 0.00 C ATOM 817 C ASP A 99 6.721 -6.160 -6.143 1.00 0.00 C ATOM 818 O ASP A 99 7.788 -6.617 -5.714 1.00 0.00 O ATOM 819 CB ASP A 99 8.058 -5.244 -8.102 1.00 0.00 C ATOM 820 CG ASP A 99 8.280 -4.318 -9.305 1.00 0.00 C ATOM 821 OD1 ASP A 99 8.851 -3.220 -9.127 1.00 0.00 O ATOM 822 OD2 ASP A 99 7.921 -4.700 -10.440 1.00 0.00 O ATOM 0 H ASP A 99 7.410 -3.793 -5.452 1.00 0.00 H new ATOM 0 HA ASP A 99 5.947 -4.878 -7.739 1.00 0.00 H new ATOM 0 HB2 ASP A 99 8.968 -5.226 -7.502 1.00 0.00 H new ATOM 0 HB3 ASP A 99 7.949 -6.259 -8.485 1.00 0.00 H new ATOM 823 N LEU A 100 5.531 -6.755 -5.796 1.00 0.00 N ATOM 824 CA LEU A 100 5.565 -8.017 -4.992 1.00 0.00 C ATOM 825 C LEU A 100 5.705 -9.254 -5.930 1.00 0.00 C ATOM 826 O LEU A 100 4.792 -9.587 -6.691 1.00 0.00 O ATOM 827 CB LEU A 100 4.391 -8.107 -3.981 1.00 0.00 C ATOM 828 CG LEU A 100 4.587 -7.477 -2.576 1.00 0.00 C ATOM 829 CD1 LEU A 100 5.661 -8.160 -1.699 1.00 0.00 C ATOM 830 CD2 LEU A 100 4.860 -5.973 -2.651 1.00 0.00 C ATOM 0 H LEU A 100 4.603 -6.409 -6.041 1.00 0.00 H new ATOM 0 HA LEU A 100 6.455 -8.006 -4.363 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.520 -7.638 -4.438 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.149 -9.161 -3.843 1.00 0.00 H new ATOM 0 HG LEU A 100 3.631 -7.650 -2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.725 -7.649 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.390 -9.203 -1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.627 -8.109 -2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.990 -5.576 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.766 -5.796 -3.231 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.018 -5.474 -3.131 1.00 0.00 H new ATOM 831 N LYS A 101 6.884 -9.900 -5.843 1.00 0.00 N ATOM 832 CA LYS A 101 7.236 -11.121 -6.623 1.00 0.00 C ATOM 833 C LYS A 101 7.889 -12.166 -5.671 1.00 0.00 C ATOM 834 O LYS A 101 8.662 -11.817 -4.774 1.00 0.00 O ATOM 835 CB LYS A 101 8.237 -10.807 -7.762 1.00 0.00 C ATOM 836 CG LYS A 101 7.665 -9.973 -8.929 1.00 0.00 C ATOM 837 CD LYS A 101 8.685 -9.812 -10.069 1.00 0.00 C ATOM 838 CE LYS A 101 8.113 -9.053 -11.275 1.00 0.00 C ATOM 839 NZ LYS A 101 9.136 -8.796 -12.303 1.00 0.00 N ATOM 0 H LYS A 101 7.634 -9.591 -5.224 1.00 0.00 H new ATOM 0 HA LYS A 101 6.318 -11.509 -7.064 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.089 -10.274 -7.339 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.616 -11.748 -8.161 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.765 -10.453 -9.312 1.00 0.00 H new ATOM 0 HG3 LYS A 101 7.371 -8.989 -8.563 1.00 0.00 H new ATOM 0 HD2 LYS A 101 9.561 -9.283 -9.695 1.00 0.00 H new ATOM 0 HD3 LYS A 101 9.021 -10.797 -10.392 1.00 0.00 H new ATOM 0 HE2 LYS A 101 7.297 -9.629 -11.712 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.690 -8.106 -10.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 8.707 -8.282 -13.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 9.903 -8.224 -11.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 9.522 -9.700 -12.643 1.00 0.00 H new ATOM 840 N ILE A 102 7.572 -13.460 -5.885 1.00 0.00 N ATOM 841 CA ILE A 102 8.056 -14.568 -5.005 1.00 0.00 C ATOM 842 C ILE A 102 9.436 -15.117 -5.486 1.00 0.00 C ATOM 843 O ILE A 102 9.740 -15.134 -6.683 1.00 0.00 O ATOM 844 CB ILE A 102 7.013 -15.731 -4.814 1.00 0.00 C ATOM 845 CG1 ILE A 102 6.685 -16.561 -6.092 1.00 0.00 C ATOM 846 CG2 ILE A 102 5.720 -15.299 -4.088 1.00 0.00 C ATOM 847 CD1 ILE A 102 6.197 -17.985 -5.793 1.00 0.00 C ATOM 0 H ILE A 102 6.984 -13.773 -6.657 1.00 0.00 H new ATOM 0 HA ILE A 102 8.186 -14.123 -4.019 1.00 0.00 H new ATOM 0 HB ILE A 102 7.552 -16.411 -4.155 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.922 -16.038 -6.668 1.00 0.00 H new ATOM 0 HG13 ILE A 102 7.576 -16.615 -6.718 1.00 0.00 H new ATOM 0 HG21 ILE A 102 5.052 -16.155 -3.995 1.00 0.00 H new ATOM 0 HG22 ILE A 102 5.968 -14.923 -3.096 1.00 0.00 H new ATOM 0 HG23 ILE A 102 5.226 -14.514 -4.661 1.00 0.00 H new ATOM 0 HD11 ILE A 102 5.988 -18.502 -6.729 1.00 0.00 H new ATOM 0 HD12 ILE A 102 6.968 -18.526 -5.244 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.288 -17.940 -5.193 1.00 0.00 H new ATOM 848 N GLN A 103 10.209 -15.675 -4.537 1.00 0.00 N ATOM 849 CA GLN A 103 11.402 -16.517 -4.839 1.00 0.00 C ATOM 850 C GLN A 103 11.013 -17.865 -5.536 1.00 0.00 C ATOM 851 O GLN A 103 9.900 -18.379 -5.364 1.00 0.00 O ATOM 852 CB GLN A 103 12.180 -16.792 -3.522 1.00 0.00 C ATOM 853 CG GLN A 103 12.870 -15.560 -2.888 1.00 0.00 C ATOM 854 CD GLN A 103 13.632 -15.907 -1.598 1.00 0.00 C ATOM 855 OE1 GLN A 103 14.749 -16.420 -1.633 1.00 0.00 O ATOM 856 NE2 GLN A 103 13.048 -15.638 -0.439 1.00 0.00 N ATOM 0 H GLN A 103 10.033 -15.561 -3.539 1.00 0.00 H new ATOM 0 HA GLN A 103 12.035 -15.971 -5.538 1.00 0.00 H new ATOM 0 HB2 GLN A 103 11.489 -17.215 -2.793 1.00 0.00 H new ATOM 0 HB3 GLN A 103 12.938 -17.550 -3.719 1.00 0.00 H new ATOM 0 HG2 GLN A 103 13.563 -15.125 -3.609 1.00 0.00 H new ATOM 0 HG3 GLN A 103 12.119 -14.801 -2.669 1.00 0.00 H new ATOM 0 HE21 GLN A 103 12.121 -15.212 -0.422 1.00 0.00 H new ATOM 0 HE22 GLN A 103 13.525 -15.857 0.435 1.00 0.00 H new ATOM 857 N GLU A 104 11.946 -18.420 -6.333 1.00 0.00 N ATOM 858 CA GLU A 104 11.702 -19.652 -7.147 1.00 0.00 C ATOM 859 C GLU A 104 12.158 -20.934 -6.381 1.00 0.00 C ATOM 860 O GLU A 104 13.150 -21.599 -6.700 1.00 0.00 O ATOM 861 CB GLU A 104 12.417 -19.535 -8.514 1.00 0.00 C ATOM 862 CG GLU A 104 11.923 -18.421 -9.463 1.00 0.00 C ATOM 863 CD GLU A 104 12.736 -18.356 -10.758 1.00 0.00 C ATOM 864 OE1 GLU A 104 12.382 -19.052 -11.734 1.00 0.00 O ATOM 865 OE2 GLU A 104 13.739 -17.609 -10.801 1.00 0.00 O ATOM 0 H GLU A 104 12.886 -18.040 -6.439 1.00 0.00 H new ATOM 0 HA GLU A 104 10.630 -19.743 -7.323 1.00 0.00 H new ATOM 0 HB2 GLU A 104 13.480 -19.378 -8.330 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.321 -20.490 -9.031 1.00 0.00 H new ATOM 0 HG2 GLU A 104 10.874 -18.591 -9.704 1.00 0.00 H new ATOM 0 HG3 GLU A 104 11.981 -17.460 -8.952 1.00 0.00 H new ATOM 866 N ARG A 105 11.358 -21.247 -5.361 1.00 0.00 N ATOM 867 CA ARG A 105 11.535 -22.437 -4.491 1.00 0.00 C ATOM 868 C ARG A 105 10.179 -23.172 -4.433 1.00 0.00 C ATOM 869 O ARG A 105 10.061 -24.254 -5.055 1.00 0.00 O ATOM 870 CB ARG A 105 12.097 -22.002 -3.106 1.00 0.00 C ATOM 871 CG ARG A 105 12.282 -23.103 -2.030 1.00 0.00 C ATOM 872 CD ARG A 105 13.110 -24.352 -2.407 1.00 0.00 C ATOM 873 NE ARG A 105 14.529 -24.042 -2.722 1.00 0.00 N ATOM 874 CZ ARG A 105 15.474 -24.969 -2.962 1.00 0.00 C ATOM 875 NH1 ARG A 105 15.262 -26.285 -2.906 1.00 0.00 N ATOM 876 NH2 ARG A 105 16.690 -24.552 -3.265 1.00 0.00 N ATOM 877 OXT ARG A 105 9.234 -22.688 -3.768 1.00 0.00 O ATOM 0 H ARG A 105 10.552 -20.679 -5.102 1.00 0.00 H new ATOM 0 HA ARG A 105 12.272 -23.137 -4.886 1.00 0.00 H new ATOM 0 HB2 ARG A 105 13.064 -21.526 -3.270 1.00 0.00 H new ATOM 0 HB3 ARG A 105 11.432 -21.241 -2.697 1.00 0.00 H new ATOM 0 HG2 ARG A 105 12.748 -22.644 -1.158 1.00 0.00 H new ATOM 0 HG3 ARG A 105 11.292 -23.439 -1.722 1.00 0.00 H new ATOM 0 HD2 ARG A 105 13.075 -25.065 -1.583 1.00 0.00 H new ATOM 0 HD3 ARG A 105 12.651 -24.837 -3.268 1.00 0.00 H new ATOM 0 HE ARG A 105 14.805 -23.061 -2.759 1.00 0.00 H new ATOM 0 HH11 ARG A 105 14.337 -26.643 -2.669 1.00 0.00 H new ATOM 0 HH12 ARG A 105 16.025 -26.933 -3.100 1.00 0.00 H new ATOM 0 HH21 ARG A 105 16.890 -23.553 -3.311 1.00 0.00 H new ATOM 0 HH22 ARG A 105 17.429 -25.229 -3.453 1.00 0.00 H new