USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 946 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 33 SER OG : rot 95:sc= 0.515 USER MOD Set 1.2: A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 26 SER OG : rot -65:sc= 0.258 USER MOD Set 2.2: A 73 ASN : amide:sc= -1.02 X(o=-0.76,f=-1.2) USER MOD Set 3.1: A 18 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 22 HIS : no HE2:sc= -3.46! C(o=-3.5!,f=-7.7!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -38:sc= 0.124 USER MOD Single : A 11 TYR OH : rot 39:sc= -2.85! USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= -4.74! K(o=-4.7!,f=-3.7) USER MOD Single : A 14 ASN : amide:sc= -0.0194 K(o=-0.019,f=-1) USER MOD Single : A 15 LYS NZ :NH3+ 157:sc= -0.446 (180deg=-0.885) USER MOD Single : A 19 ASN : amide:sc= -1.46 K(o=-1.5,f=-3.6!) USER MOD Single : A 20 SER OG : rot 125:sc= 0.113 USER MOD Single : A 21 HIS : no HD1:sc= -0.804 K(o=-0.8,f=-0.15) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 144:sc= 1.3 USER MOD Single : A 32 SER OG : rot 175:sc= 0.981 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.131 USER MOD Single : A 36 HIS : no HE2:sc= -6.12 K(o=-6.1,f=-7.8!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.455 K(o=-0.46,f=-4.1!) USER MOD Single : A 42 TYR OH : rot -140:sc= -0.0243 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0756 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -47:sc= 0.0149 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -1.39 X(o=-1.4,f=-1.5) USER MOD Single : A 69 SER OG : rot 180:sc= -0.0264 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HE2:sc= -5.19 K(o=-5.2,f=-6.3!) USER MOD Single : A 79 TYR OH : rot 30:sc= 0 USER MOD Single : A 85 THR OG1 : rot -130:sc= -0.015 USER MOD Single : A 90 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-1.9!) USER MOD Single : A 92 TYR OH : rot 18:sc= 0.104 USER MOD Single : A 93 LYS NZ :NH3+ 170:sc= -0.699 (180deg=-0.956) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.695 X(o=-0.7,f=-0.68) USER MOD Single : A 110 TYR OH : rot 180:sc= -1.75 USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.302 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.151 K(o=-0.15,f=-0.71) USER MOD Single : A 115 LYS NZ :NH3+ 155:sc=-7.78e-05 (180deg=-0.382) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 SER OG : rot 44:sc= 0.0978 USER MOD Single : A 136 HIS : no HD1:sc= -6.34! C(o=-6.3!,f=-8.9!) USER MOD ----------------------------------------------------------------- ATOM 13 N VAL A 2 0.964 1.683 -2.538 1.00 0.00 N ATOM 14 CA VAL A 2 0.772 2.982 -3.188 1.00 0.00 C ATOM 15 C VAL A 2 1.336 4.084 -2.299 1.00 0.00 C ATOM 16 O VAL A 2 1.165 4.061 -1.077 1.00 0.00 O ATOM 17 CB VAL A 2 -0.714 3.179 -3.556 1.00 0.00 C ATOM 18 CG1 VAL A 2 -1.533 3.608 -2.346 1.00 0.00 C ATOM 19 CG2 VAL A 2 -0.859 4.212 -4.671 1.00 0.00 C ATOM 0 HA VAL A 2 1.322 3.025 -4.128 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.095 2.220 -3.906 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.575 3.738 -2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.467 2.843 -1.572 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.145 4.550 -1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.914 4.337 -4.916 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.448 5.166 -4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -0.319 3.872 -5.555 1.00 0.00 H new ATOM 29 N THR A 3 2.109 4.975 -2.875 1.00 0.00 N ATOM 30 CA THR A 3 2.718 6.036 -2.101 1.00 0.00 C ATOM 31 C THR A 3 1.777 7.219 -2.091 1.00 0.00 C ATOM 32 O THR A 3 1.482 7.806 -3.122 1.00 0.00 O ATOM 33 CB THR A 3 4.074 6.306 -2.692 1.00 0.00 C ATOM 34 OG1 THR A 3 4.967 5.423 -2.067 1.00 0.00 O ATOM 35 CG2 THR A 3 4.544 7.694 -2.402 1.00 0.00 C ATOM 0 H THR A 3 2.331 4.989 -3.870 1.00 0.00 H new ATOM 0 HA THR A 3 2.879 5.776 -1.055 1.00 0.00 H new ATOM 0 HB THR A 3 4.022 6.180 -3.773 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.869 5.563 -2.424 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.527 7.846 -2.847 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.840 8.412 -2.823 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.608 7.839 -1.324 1.00 0.00 H new ATOM 43 N TRP A 4 1.245 7.530 -0.923 1.00 0.00 N ATOM 44 CA TRP A 4 0.372 8.662 -0.773 1.00 0.00 C ATOM 45 C TRP A 4 1.186 9.926 -0.609 1.00 0.00 C ATOM 46 O TRP A 4 2.191 9.926 0.091 1.00 0.00 O ATOM 47 CB TRP A 4 -0.488 8.409 0.440 1.00 0.00 C ATOM 48 CG TRP A 4 -1.395 7.224 0.349 1.00 0.00 C ATOM 49 CD1 TRP A 4 -1.002 5.944 0.258 1.00 0.00 C ATOM 50 CD2 TRP A 4 -2.855 7.192 0.362 1.00 0.00 C ATOM 51 NE1 TRP A 4 -2.128 5.158 0.138 1.00 0.00 N ATOM 52 CE2 TRP A 4 -3.290 5.870 0.180 1.00 0.00 C ATOM 53 CE3 TRP A 4 -3.853 8.166 0.473 1.00 0.00 C ATOM 54 CZ2 TRP A 4 -4.636 5.509 0.121 1.00 0.00 C ATOM 55 CZ3 TRP A 4 -5.213 7.836 0.510 1.00 0.00 C ATOM 56 CH2 TRP A 4 -5.607 6.496 0.363 1.00 0.00 C ATOM 0 H TRP A 4 1.409 7.006 -0.064 1.00 0.00 H new ATOM 0 HA TRP A 4 -0.256 8.792 -1.655 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.163 8.281 1.305 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -1.094 9.296 0.625 1.00 0.00 H new ATOM 0 HD1 TRP A 4 0.019 5.591 0.276 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -2.095 4.144 0.029 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -3.565 9.205 0.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -4.926 4.494 -0.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -5.955 8.608 0.651 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -6.650 6.226 0.435 1.00 0.00 H new ATOM 67 N THR A 5 0.741 11.017 -1.210 1.00 0.00 N ATOM 68 CA THR A 5 1.485 12.273 -1.165 1.00 0.00 C ATOM 69 C THR A 5 0.547 13.375 -0.763 1.00 0.00 C ATOM 70 O THR A 5 -0.588 13.449 -1.229 1.00 0.00 O ATOM 71 CB THR A 5 2.171 12.545 -2.514 1.00 0.00 C ATOM 72 OG1 THR A 5 3.487 12.121 -2.414 1.00 0.00 O ATOM 73 CG2 THR A 5 2.245 14.011 -2.935 1.00 0.00 C ATOM 0 H THR A 5 -0.132 11.062 -1.736 1.00 0.00 H new ATOM 0 HA THR A 5 2.282 12.214 -0.423 1.00 0.00 H new ATOM 0 HB THR A 5 1.565 12.021 -3.254 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.833 12.335 -1.522 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.747 14.088 -3.899 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.237 14.417 -3.018 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.804 14.576 -2.189 1.00 0.00 H new ATOM 81 N CYS A 6 1.032 14.252 0.104 1.00 0.00 N ATOM 82 CA CYS A 6 0.273 15.410 0.526 1.00 0.00 C ATOM 83 C CYS A 6 1.166 16.632 0.463 1.00 0.00 C ATOM 84 O CYS A 6 1.121 17.365 -0.517 1.00 0.00 O ATOM 85 CB CYS A 6 -0.260 15.144 1.921 1.00 0.00 C ATOM 86 SG CYS A 6 -2.043 14.971 1.888 1.00 0.00 S ATOM 0 H CYS A 6 1.956 14.178 0.529 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.578 15.598 -0.129 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.192 14.237 2.323 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.020 15.961 2.586 1.00 0.00 H new ATOM 91 N GLY A 7 2.053 16.813 1.444 1.00 0.00 N ATOM 92 CA GLY A 7 2.950 17.975 1.477 1.00 0.00 C ATOM 93 C GLY A 7 4.111 17.879 0.480 1.00 0.00 C ATOM 94 O GLY A 7 5.230 18.231 0.821 1.00 0.00 O ATOM 0 H GLY A 7 2.171 16.171 2.227 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.373 18.875 1.266 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.354 18.084 2.484 1.00 0.00 H new ATOM 98 N GLY A 8 3.892 17.287 -0.696 1.00 0.00 N ATOM 99 CA GLY A 8 4.968 16.967 -1.642 1.00 0.00 C ATOM 100 C GLY A 8 5.856 15.804 -1.200 1.00 0.00 C ATOM 101 O GLY A 8 6.861 15.511 -1.838 1.00 0.00 O ATOM 0 H GLY A 8 2.964 17.015 -1.021 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.528 16.728 -2.610 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.589 17.852 -1.784 1.00 0.00 H new ATOM 105 N LEU A 9 5.515 15.148 -0.090 1.00 0.00 N ATOM 106 CA LEU A 9 6.315 14.085 0.520 1.00 0.00 C ATOM 107 C LEU A 9 5.592 12.789 0.258 1.00 0.00 C ATOM 108 O LEU A 9 4.361 12.771 0.294 1.00 0.00 O ATOM 109 CB LEU A 9 6.506 14.271 2.031 1.00 0.00 C ATOM 110 CG LEU A 9 6.614 15.744 2.489 1.00 0.00 C ATOM 111 CD1 LEU A 9 5.339 16.203 3.228 1.00 0.00 C ATOM 112 CD2 LEU A 9 7.835 15.973 3.369 1.00 0.00 C ATOM 0 H LEU A 9 4.655 15.346 0.422 1.00 0.00 H new ATOM 0 HA LEU A 9 7.314 14.099 0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.670 13.803 2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.408 13.742 2.338 1.00 0.00 H new ATOM 0 HG LEU A 9 6.725 16.344 1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.451 17.243 3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.480 16.111 2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.184 15.579 4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.875 17.020 3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.768 15.343 4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.737 15.721 2.812 1.00 0.00 H new ATOM 124 N LEU A 10 6.343 11.749 -0.067 1.00 0.00 N ATOM 125 CA LEU A 10 5.799 10.455 -0.467 1.00 0.00 C ATOM 126 C LEU A 10 5.721 9.559 0.761 1.00 0.00 C ATOM 127 O LEU A 10 6.704 9.383 1.466 1.00 0.00 O ATOM 128 CB LEU A 10 6.727 9.846 -1.533 1.00 0.00 C ATOM 129 CG LEU A 10 6.356 10.266 -2.980 1.00 0.00 C ATOM 130 CD1 LEU A 10 6.494 11.764 -3.217 1.00 0.00 C ATOM 131 CD2 LEU A 10 7.236 9.511 -3.991 1.00 0.00 C ATOM 0 H LEU A 10 7.363 11.777 -0.061 1.00 0.00 H new ATOM 0 HA LEU A 10 4.799 10.561 -0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.754 10.148 -1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.693 8.759 -1.457 1.00 0.00 H new ATOM 0 HG LEU A 10 5.306 10.007 -3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.221 11.996 -4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.835 12.302 -2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.526 12.067 -3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.968 9.813 -5.003 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.284 9.746 -3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.080 8.438 -3.879 1.00 0.00 H new ATOM 143 N TYR A 11 4.569 8.956 1.003 1.00 0.00 N ATOM 144 CA TYR A 11 4.245 8.224 2.226 1.00 0.00 C ATOM 145 C TYR A 11 3.809 6.841 1.812 1.00 0.00 C ATOM 146 O TYR A 11 2.686 6.628 1.342 1.00 0.00 O ATOM 147 CB TYR A 11 3.150 8.937 3.026 1.00 0.00 C ATOM 148 CG TYR A 11 3.543 10.319 3.480 1.00 0.00 C ATOM 149 CD1 TYR A 11 4.511 10.450 4.491 1.00 0.00 C ATOM 150 CD2 TYR A 11 2.973 11.455 2.874 1.00 0.00 C ATOM 151 CE1 TYR A 11 4.852 11.732 4.952 1.00 0.00 C ATOM 152 CE2 TYR A 11 3.362 12.735 3.303 1.00 0.00 C ATOM 153 CZ TYR A 11 4.224 12.859 4.408 1.00 0.00 C ATOM 154 OH TYR A 11 4.364 14.052 5.060 1.00 0.00 O ATOM 0 H TYR A 11 3.802 8.960 0.331 1.00 0.00 H new ATOM 0 HA TYR A 11 5.115 8.169 2.881 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.250 9.006 2.415 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.897 8.334 3.898 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.987 9.575 4.908 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.243 11.343 2.086 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.597 11.848 5.725 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.003 13.615 2.790 1.00 0.00 H new ATOM 0 HH TYR A 11 5.278 14.132 5.404 1.00 0.00 H new ATOM 164 N ASN A 12 4.732 5.883 1.881 1.00 0.00 N ATOM 165 CA ASN A 12 4.394 4.513 1.526 1.00 0.00 C ATOM 166 C ASN A 12 3.170 4.098 2.318 1.00 0.00 C ATOM 167 O ASN A 12 3.239 4.092 3.546 1.00 0.00 O ATOM 168 CB ASN A 12 5.577 3.578 1.839 1.00 0.00 C ATOM 169 CG ASN A 12 5.754 2.589 0.724 1.00 0.00 C ATOM 170 OD1 ASN A 12 6.631 2.687 -0.092 1.00 0.00 O ATOM 171 ND2 ASN A 12 4.931 1.582 0.663 1.00 0.00 N ATOM 0 H ASN A 12 5.698 6.028 2.173 1.00 0.00 H new ATOM 0 HA ASN A 12 4.182 4.446 0.459 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.489 4.161 1.968 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.399 3.053 2.778 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.033 0.884 -0.073 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.184 1.491 1.352 1.00 0.00 H new ATOM 178 N GLN A 13 2.096 3.683 1.637 1.00 0.00 N ATOM 179 CA GLN A 13 0.895 3.297 2.372 1.00 0.00 C ATOM 180 C GLN A 13 1.189 2.238 3.411 1.00 0.00 C ATOM 181 O GLN A 13 0.775 2.377 4.539 1.00 0.00 O ATOM 182 CB GLN A 13 -0.172 2.721 1.449 1.00 0.00 C ATOM 183 CG GLN A 13 -1.445 2.194 2.125 1.00 0.00 C ATOM 184 CD GLN A 13 -1.870 3.143 3.224 1.00 0.00 C ATOM 185 OE1 GLN A 13 -2.112 2.789 4.358 1.00 0.00 O ATOM 186 NE2 GLN A 13 -1.831 4.421 2.935 1.00 0.00 N ATOM 0 H GLN A 13 2.035 3.608 0.622 1.00 0.00 H new ATOM 0 HA GLN A 13 0.539 4.212 2.846 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.459 3.493 0.734 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.274 1.907 0.877 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.243 2.093 1.390 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.265 1.202 2.538 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.628 4.722 1.982 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.004 5.114 3.663 1.00 0.00 H new ATOM 195 N ASN A 14 2.015 1.256 3.068 1.00 0.00 N ATOM 196 CA ASN A 14 2.461 0.282 4.062 1.00 0.00 C ATOM 197 C ASN A 14 2.957 0.932 5.349 1.00 0.00 C ATOM 198 O ASN A 14 2.579 0.488 6.403 1.00 0.00 O ATOM 199 CB ASN A 14 3.653 -0.489 3.515 1.00 0.00 C ATOM 200 CG ASN A 14 3.779 -1.851 4.154 1.00 0.00 C ATOM 201 OD1 ASN A 14 2.839 -2.484 4.554 1.00 0.00 O ATOM 202 ND2 ASN A 14 4.969 -2.367 4.228 1.00 0.00 N ATOM 0 H ASN A 14 2.385 1.112 2.128 1.00 0.00 H new ATOM 0 HA ASN A 14 1.597 -0.348 4.272 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.549 -0.602 2.436 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.566 0.081 3.690 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.097 -3.299 4.622 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.775 -1.840 3.892 1.00 0.00 H new ATOM 209 N LYS A 15 3.759 1.997 5.301 1.00 0.00 N ATOM 210 CA LYS A 15 4.054 2.834 6.473 1.00 0.00 C ATOM 211 C LYS A 15 2.876 3.672 6.958 1.00 0.00 C ATOM 212 O LYS A 15 2.696 3.728 8.154 1.00 0.00 O ATOM 213 CB LYS A 15 5.209 3.765 6.115 1.00 0.00 C ATOM 214 CG LYS A 15 6.490 3.271 6.786 1.00 0.00 C ATOM 215 CD LYS A 15 7.690 3.407 5.841 1.00 0.00 C ATOM 216 CE LYS A 15 8.761 2.368 6.199 1.00 0.00 C ATOM 217 NZ LYS A 15 10.039 2.677 5.496 1.00 0.00 N ATOM 0 H LYS A 15 4.225 2.307 4.448 1.00 0.00 H new ATOM 0 HA LYS A 15 4.302 2.158 7.291 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.342 3.798 5.034 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.985 4.781 6.439 1.00 0.00 H new ATOM 0 HG2 LYS A 15 6.672 3.842 7.696 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.372 2.229 7.082 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.368 3.268 4.809 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.108 4.411 5.913 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.924 2.360 7.277 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.417 1.371 5.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.832 2.244 6.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.004 2.295 4.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.173 3.708 5.457 1.00 0.00 H new ATOM 231 N ALA A 16 2.028 4.242 6.132 1.00 0.00 N ATOM 232 CA ALA A 16 0.807 4.868 6.635 1.00 0.00 C ATOM 233 C ALA A 16 -0.047 3.950 7.532 1.00 0.00 C ATOM 234 O ALA A 16 -0.500 4.379 8.579 1.00 0.00 O ATOM 235 CB ALA A 16 0.000 5.317 5.455 1.00 0.00 C ATOM 0 H ALA A 16 2.150 4.290 5.120 1.00 0.00 H new ATOM 0 HA ALA A 16 1.104 5.703 7.269 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.919 5.789 5.801 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.578 6.033 4.870 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.246 4.456 4.834 1.00 0.00 H new ATOM 241 N GLU A 17 -0.210 2.675 7.198 1.00 0.00 N ATOM 242 CA GLU A 17 -0.920 1.714 8.041 1.00 0.00 C ATOM 243 C GLU A 17 0.036 1.118 9.063 1.00 0.00 C ATOM 244 O GLU A 17 -0.348 1.016 10.210 1.00 0.00 O ATOM 245 CB GLU A 17 -1.597 0.628 7.203 1.00 0.00 C ATOM 246 CG GLU A 17 -0.661 0.029 6.161 1.00 0.00 C ATOM 247 CD GLU A 17 -1.157 -1.258 5.567 1.00 0.00 C ATOM 248 OE1 GLU A 17 -2.322 -1.265 5.130 1.00 0.00 O ATOM 249 OE2 GLU A 17 -0.347 -2.206 5.561 1.00 0.00 O ATOM 0 H GLU A 17 0.148 2.275 6.331 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.712 2.239 8.575 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.957 -0.163 7.861 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.470 1.049 6.704 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.512 0.754 5.361 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.313 -0.145 6.619 1.00 0.00 H new ATOM 256 N SER A 18 1.279 0.774 8.704 1.00 0.00 N ATOM 257 CA SER A 18 2.281 0.097 9.545 1.00 0.00 C ATOM 258 C SER A 18 2.806 1.056 10.578 1.00 0.00 C ATOM 259 O SER A 18 2.608 0.790 11.744 1.00 0.00 O ATOM 260 CB SER A 18 3.494 -0.409 8.791 1.00 0.00 C ATOM 261 OG SER A 18 4.442 -1.010 9.642 1.00 0.00 O ATOM 0 H SER A 18 1.635 0.970 7.768 1.00 0.00 H new ATOM 0 HA SER A 18 1.756 -0.757 9.972 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.176 -1.131 8.039 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.961 0.421 8.260 1.00 0.00 H new ATOM 0 HG SER A 18 5.205 -1.322 9.113 1.00 0.00 H new ATOM 267 N ASN A 19 3.402 2.191 10.198 1.00 0.00 N ATOM 268 CA ASN A 19 3.722 3.281 11.128 1.00 0.00 C ATOM 269 C ASN A 19 2.641 3.532 12.178 1.00 0.00 C ATOM 270 O ASN A 19 2.987 3.669 13.350 1.00 0.00 O ATOM 271 CB ASN A 19 4.063 4.582 10.395 1.00 0.00 C ATOM 272 CG ASN A 19 4.942 5.467 11.228 1.00 0.00 C ATOM 273 OD1 ASN A 19 4.692 6.618 11.474 1.00 0.00 O ATOM 274 ND2 ASN A 19 6.081 4.981 11.608 1.00 0.00 N ATOM 0 H ASN A 19 3.677 2.381 9.234 1.00 0.00 H new ATOM 0 HA ASN A 19 4.608 2.939 11.663 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.564 4.351 9.455 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.144 5.112 10.145 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.747 5.572 12.106 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.312 4.008 11.409 1.00 0.00 H new ATOM 281 N SER A 20 1.370 3.450 11.764 1.00 0.00 N ATOM 282 CA SER A 20 0.209 3.514 12.663 1.00 0.00 C ATOM 283 C SER A 20 -0.128 2.234 13.403 1.00 0.00 C ATOM 284 O SER A 20 -0.604 2.304 14.523 1.00 0.00 O ATOM 285 CB SER A 20 -1.037 3.916 11.896 1.00 0.00 C ATOM 286 OG SER A 20 -2.143 3.019 11.908 1.00 0.00 O ATOM 0 H SER A 20 1.115 3.336 10.783 1.00 0.00 H new ATOM 0 HA SER A 20 0.509 4.251 13.408 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.378 4.873 12.290 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.752 4.082 10.857 1.00 0.00 H new ATOM 0 HG SER A 20 -2.941 3.488 12.231 1.00 0.00 H new ATOM 292 N HIS A 21 0.085 1.051 12.810 1.00 0.00 N ATOM 293 CA HIS A 21 -0.152 -0.274 13.400 1.00 0.00 C ATOM 294 C HIS A 21 0.459 -0.345 14.792 1.00 0.00 C ATOM 295 O HIS A 21 -0.101 -1.010 15.655 1.00 0.00 O ATOM 296 CB HIS A 21 0.415 -1.412 12.513 1.00 0.00 C ATOM 297 CG HIS A 21 -0.522 -1.979 11.472 1.00 0.00 C ATOM 298 ND1 HIS A 21 -0.358 -3.204 10.858 1.00 0.00 N ATOM 299 CD2 HIS A 21 -1.648 -1.383 10.967 1.00 0.00 C ATOM 300 CE1 HIS A 21 -1.381 -3.355 9.988 1.00 0.00 C ATOM 301 NE2 HIS A 21 -2.177 -2.259 10.026 1.00 0.00 N ATOM 0 H HIS A 21 0.445 0.989 11.858 1.00 0.00 H new ATOM 0 HA HIS A 21 -1.231 -0.414 13.468 1.00 0.00 H new ATOM 0 HB2 HIS A 21 1.305 -1.039 12.006 1.00 0.00 H new ATOM 0 HB3 HIS A 21 0.736 -2.225 13.164 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.047 -0.419 11.246 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -1.540 -4.218 9.358 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -3.014 -2.104 9.465 1.00 0.00 H new ATOM 310 N HIS A 22 1.615 0.297 14.980 1.00 0.00 N ATOM 311 CA HIS A 22 2.306 0.413 16.245 1.00 0.00 C ATOM 312 C HIS A 22 1.608 1.386 17.179 1.00 0.00 C ATOM 313 O HIS A 22 1.415 1.030 18.334 1.00 0.00 O ATOM 314 CB HIS A 22 3.756 0.849 16.040 1.00 0.00 C ATOM 315 CG HIS A 22 4.374 0.676 14.674 1.00 0.00 C ATOM 316 ND1 HIS A 22 5.241 1.582 14.125 1.00 0.00 N ATOM 317 CD2 HIS A 22 4.192 -0.367 13.804 1.00 0.00 C ATOM 318 CE1 HIS A 22 5.590 1.081 12.921 1.00 0.00 C ATOM 319 NE2 HIS A 22 4.974 -0.107 12.688 1.00 0.00 N ATOM 0 H HIS A 22 2.106 0.765 14.218 1.00 0.00 H new ATOM 0 HA HIS A 22 2.293 -0.575 16.705 1.00 0.00 H new ATOM 0 HB2 HIS A 22 3.825 1.904 16.304 1.00 0.00 H new ATOM 0 HB3 HIS A 22 4.371 0.301 16.754 1.00 0.00 H new ATOM 0 HD1 HIS A 22 5.559 2.457 14.541 1.00 0.00 H new ATOM 0 HD2 HIS A 22 3.559 -1.229 13.958 1.00 0.00 H new ATOM 0 HE1 HIS A 22 6.270 1.562 12.233 1.00 0.00 H new ATOM 328 N ALA A 23 1.223 2.559 16.652 1.00 0.00 N ATOM 329 CA ALA A 23 0.435 3.566 17.337 1.00 0.00 C ATOM 330 C ALA A 23 -0.669 2.937 18.206 1.00 0.00 C ATOM 331 O ALA A 23 -1.424 2.080 17.736 1.00 0.00 O ATOM 332 CB ALA A 23 -0.165 4.555 16.341 1.00 0.00 C ATOM 0 H ALA A 23 1.467 2.831 15.700 1.00 0.00 H new ATOM 0 HA ALA A 23 1.108 4.106 18.002 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.752 5.301 16.877 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.636 5.050 15.792 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.809 4.022 15.641 1.00 0.00 H new ATOM 338 N PRO A 24 -0.776 3.341 19.475 1.00 0.00 N ATOM 339 CA PRO A 24 -1.727 2.748 20.393 1.00 0.00 C ATOM 340 C PRO A 24 -3.112 3.233 19.986 1.00 0.00 C ATOM 341 O PRO A 24 -3.336 4.431 19.797 1.00 0.00 O ATOM 342 CB PRO A 24 -1.325 3.247 21.783 1.00 0.00 C ATOM 343 CG PRO A 24 -0.421 4.434 21.540 1.00 0.00 C ATOM 344 CD PRO A 24 -0.036 4.420 20.079 1.00 0.00 C ATOM 0 HA PRO A 24 -1.737 1.658 20.386 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.201 3.533 22.366 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.809 2.469 22.345 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.932 5.363 21.793 1.00 0.00 H new ATOM 0 HG3 PRO A 24 0.466 4.376 22.171 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -0.278 5.371 19.604 1.00 0.00 H new ATOM 0 HD3 PRO A 24 1.037 4.269 19.961 1.00 0.00 H new ATOM 352 N LEU A 25 -4.035 2.281 19.843 1.00 0.00 N ATOM 353 CA LEU A 25 -5.429 2.508 19.489 1.00 0.00 C ATOM 354 C LEU A 25 -6.153 3.322 20.550 1.00 0.00 C ATOM 355 O LEU A 25 -6.741 2.756 21.468 1.00 0.00 O ATOM 356 CB LEU A 25 -6.129 1.149 19.208 1.00 0.00 C ATOM 357 CG LEU A 25 -7.006 1.119 17.964 1.00 0.00 C ATOM 358 CD1 LEU A 25 -6.295 1.732 16.794 1.00 0.00 C ATOM 359 CD2 LEU A 25 -7.432 -0.296 17.619 1.00 0.00 C ATOM 0 H LEU A 25 -3.819 1.293 19.977 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.466 3.102 18.576 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.365 0.377 19.114 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.741 0.888 20.071 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.899 1.704 18.185 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.942 1.699 15.917 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.046 2.768 17.022 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.380 1.175 16.591 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.057 -0.280 16.726 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.549 -0.907 17.433 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.997 -0.719 18.450 1.00 0.00 H new ATOM 371 N SER A 26 -6.024 4.642 20.474 1.00 0.00 N ATOM 372 CA SER A 26 -6.522 5.575 21.489 1.00 0.00 C ATOM 373 C SER A 26 -6.178 7.000 21.080 1.00 0.00 C ATOM 374 O SER A 26 -5.109 7.260 20.526 1.00 0.00 O ATOM 375 CB SER A 26 -5.844 5.380 22.847 1.00 0.00 C ATOM 376 OG SER A 26 -6.558 4.578 23.761 1.00 0.00 O ATOM 0 H SER A 26 -5.562 5.106 19.692 1.00 0.00 H new ATOM 0 HA SER A 26 -7.594 5.392 21.567 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.863 4.934 22.685 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.679 6.359 23.298 1.00 0.00 H new ATOM 0 HG SER A 26 -7.395 5.025 24.004 1.00 0.00 H new ATOM 382 N ASP A 27 -7.075 7.927 21.399 1.00 0.00 N ATOM 383 CA ASP A 27 -6.912 9.356 21.107 1.00 0.00 C ATOM 384 C ASP A 27 -6.149 10.034 22.228 1.00 0.00 C ATOM 385 O ASP A 27 -6.605 9.999 23.365 1.00 0.00 O ATOM 386 CB ASP A 27 -8.276 10.010 20.908 1.00 0.00 C ATOM 387 CG ASP A 27 -8.353 11.543 21.184 1.00 0.00 C ATOM 388 OD1 ASP A 27 -7.370 12.217 20.794 1.00 0.00 O ATOM 389 OD2 ASP A 27 -9.418 12.064 21.594 1.00 0.00 O ATOM 0 H ASP A 27 -7.950 7.709 21.875 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.340 9.468 20.186 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.595 9.831 19.881 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.994 9.509 21.557 1.00 0.00 H new ATOM 394 N GLY A 28 -4.983 10.601 21.910 1.00 0.00 N ATOM 395 CA GLY A 28 -4.205 11.362 22.877 1.00 0.00 C ATOM 396 C GLY A 28 -3.948 10.526 24.127 1.00 0.00 C ATOM 397 O GLY A 28 -4.377 10.858 25.224 1.00 0.00 O ATOM 0 H GLY A 28 -4.559 10.544 20.984 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.257 11.665 22.433 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.738 12.274 23.145 1.00 0.00 H new ATOM 401 N LYS A 29 -3.213 9.424 23.969 1.00 0.00 N ATOM 402 CA LYS A 29 -2.811 8.537 25.080 1.00 0.00 C ATOM 403 C LYS A 29 -1.308 8.273 25.102 1.00 0.00 C ATOM 404 O LYS A 29 -0.783 7.406 25.798 1.00 0.00 O ATOM 405 CB LYS A 29 -3.744 7.324 25.057 1.00 0.00 C ATOM 406 CG LYS A 29 -3.281 6.198 25.984 1.00 0.00 C ATOM 407 CD LYS A 29 -4.393 5.278 26.460 1.00 0.00 C ATOM 408 CE LYS A 29 -4.239 5.080 27.971 1.00 0.00 C ATOM 409 NZ LYS A 29 -5.536 4.654 28.537 1.00 0.00 N ATOM 0 H LYS A 29 -2.873 9.112 23.059 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.944 9.009 26.053 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.747 7.638 25.348 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.812 6.944 24.038 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.531 5.602 25.465 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.793 6.638 26.854 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.367 5.710 26.231 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.340 4.319 25.944 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.475 4.330 28.176 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.910 6.007 28.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.439 4.518 29.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.253 5.384 28.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.831 3.760 28.095 1.00 0.00 H new ATOM 423 N THR A 30 -0.583 9.028 24.316 1.00 0.00 N ATOM 424 CA THR A 30 0.819 8.736 24.118 1.00 0.00 C ATOM 425 C THR A 30 1.569 9.934 24.622 1.00 0.00 C ATOM 426 O THR A 30 1.032 11.047 24.608 1.00 0.00 O ATOM 427 CB THR A 30 1.042 8.488 22.653 1.00 0.00 C ATOM 428 OG1 THR A 30 1.064 9.729 22.028 1.00 0.00 O ATOM 429 CG2 THR A 30 -0.022 7.646 21.958 1.00 0.00 C ATOM 0 H THR A 30 -0.932 9.840 23.807 1.00 0.00 H new ATOM 0 HA THR A 30 1.160 7.849 24.651 1.00 0.00 H new ATOM 0 HB THR A 30 1.971 7.923 22.575 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.719 9.717 21.299 1.00 0.00 H new ATOM 0 HG21 THR A 30 0.237 7.529 20.906 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.075 6.665 22.430 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.989 8.141 22.041 1.00 0.00 H new ATOM 437 N GLY A 31 2.793 9.713 25.100 1.00 0.00 N ATOM 438 CA GLY A 31 3.613 10.791 25.637 1.00 0.00 C ATOM 439 C GLY A 31 3.568 12.020 24.767 1.00 0.00 C ATOM 440 O GLY A 31 3.193 13.085 25.254 1.00 0.00 O ATOM 0 H GLY A 31 3.236 8.795 25.125 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.269 11.044 26.640 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.644 10.450 25.731 1.00 0.00 H new ATOM 444 N SER A 32 4.020 11.879 23.521 1.00 0.00 N ATOM 445 CA SER A 32 3.946 12.956 22.546 1.00 0.00 C ATOM 446 C SER A 32 2.569 13.510 22.431 1.00 0.00 C ATOM 447 O SER A 32 2.434 14.699 22.715 1.00 0.00 O ATOM 448 CB SER A 32 4.393 12.519 21.163 1.00 0.00 C ATOM 449 OG SER A 32 5.756 12.331 21.367 1.00 0.00 O ATOM 0 H SER A 32 4.443 11.022 23.166 1.00 0.00 H new ATOM 0 HA SER A 32 4.624 13.724 22.918 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.895 11.605 20.839 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.191 13.277 20.406 1.00 0.00 H new ATOM 0 HG SER A 32 6.160 11.959 20.555 1.00 0.00 H new ATOM 455 N SER A 33 1.636 12.699 21.918 1.00 0.00 N ATOM 456 CA SER A 33 0.225 13.022 21.713 1.00 0.00 C ATOM 457 C SER A 33 -0.418 12.027 20.780 1.00 0.00 C ATOM 458 O SER A 33 -1.347 11.319 21.138 1.00 0.00 O ATOM 459 CB SER A 33 0.042 14.449 21.160 1.00 0.00 C ATOM 460 OG SER A 33 0.990 14.834 20.137 1.00 0.00 O ATOM 0 H SER A 33 1.861 11.750 21.620 1.00 0.00 H new ATOM 0 HA SER A 33 -0.263 12.970 22.686 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.965 14.539 20.753 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.116 15.155 21.987 1.00 0.00 H new ATOM 0 HG SER A 33 0.602 14.669 19.252 1.00 0.00 H new ATOM 466 N TYR A 34 0.069 12.038 19.548 1.00 0.00 N ATOM 467 CA TYR A 34 -0.429 11.204 18.491 1.00 0.00 C ATOM 468 C TYR A 34 -0.320 9.696 18.802 1.00 0.00 C ATOM 469 O TYR A 34 0.664 9.269 19.372 1.00 0.00 O ATOM 470 CB TYR A 34 0.355 11.505 17.239 1.00 0.00 C ATOM 471 CG TYR A 34 0.133 12.917 16.745 1.00 0.00 C ATOM 472 CD1 TYR A 34 -0.975 13.227 15.936 1.00 0.00 C ATOM 473 CD2 TYR A 34 1.092 13.908 17.054 1.00 0.00 C ATOM 474 CE1 TYR A 34 -1.095 14.545 15.472 1.00 0.00 C ATOM 475 CE2 TYR A 34 0.947 15.221 16.567 1.00 0.00 C ATOM 476 CZ TYR A 34 -0.167 15.547 15.787 1.00 0.00 C ATOM 477 OH TYR A 34 -0.329 16.829 15.332 1.00 0.00 O ATOM 0 H TYR A 34 0.838 12.644 19.260 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.489 11.426 18.370 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.417 11.354 17.433 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.071 10.801 16.457 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.708 12.476 15.681 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.943 13.656 17.669 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.938 14.798 14.846 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.690 15.971 16.794 1.00 0.00 H new ATOM 0 HH TYR A 34 0.412 17.386 15.651 1.00 0.00 H new ATOM 487 N PRO A 35 -1.228 8.878 18.289 1.00 0.00 N ATOM 488 CA PRO A 35 -2.331 9.350 17.502 1.00 0.00 C ATOM 489 C PRO A 35 -3.399 10.026 18.368 1.00 0.00 C ATOM 490 O PRO A 35 -3.367 10.003 19.591 1.00 0.00 O ATOM 491 CB PRO A 35 -2.854 8.119 16.844 1.00 0.00 C ATOM 492 CG PRO A 35 -2.399 6.912 17.628 1.00 0.00 C ATOM 493 CD PRO A 35 -1.274 7.443 18.509 1.00 0.00 C ATOM 0 HA PRO A 35 -2.032 10.113 16.783 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -3.943 8.150 16.798 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.494 8.059 15.817 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.210 6.496 18.225 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.048 6.118 16.969 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -1.462 7.216 19.558 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.323 6.979 18.248 1.00 0.00 H new ATOM 501 N HIS A 36 -4.306 10.735 17.723 1.00 0.00 N ATOM 502 CA HIS A 36 -5.361 11.474 18.427 1.00 0.00 C ATOM 503 C HIS A 36 -6.673 11.382 17.685 1.00 0.00 C ATOM 504 O HIS A 36 -6.669 10.888 16.576 1.00 0.00 O ATOM 505 CB HIS A 36 -4.919 12.900 18.745 1.00 0.00 C ATOM 506 CG HIS A 36 -4.541 13.766 17.573 1.00 0.00 C ATOM 507 ND1 HIS A 36 -4.248 15.109 17.640 1.00 0.00 N ATOM 508 CD2 HIS A 36 -4.477 13.365 16.276 1.00 0.00 C ATOM 509 CE1 HIS A 36 -4.029 15.536 16.379 1.00 0.00 C ATOM 510 NE2 HIS A 36 -4.188 14.493 15.533 1.00 0.00 N ATOM 0 H HIS A 36 -4.341 10.821 16.707 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.538 11.005 19.395 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -5.725 13.394 19.287 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.065 12.849 19.421 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -4.204 15.677 18.486 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -4.623 12.363 15.901 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -3.770 16.544 16.092 1.00 0.00 H new ATOM 519 N TRP A 37 -7.785 11.818 18.229 1.00 0.00 N ATOM 520 CA TRP A 37 -9.033 11.861 17.490 1.00 0.00 C ATOM 521 C TRP A 37 -8.926 12.890 16.366 1.00 0.00 C ATOM 522 O TRP A 37 -8.300 13.948 16.494 1.00 0.00 O ATOM 523 CB TRP A 37 -10.139 12.289 18.428 1.00 0.00 C ATOM 524 CG TRP A 37 -11.444 12.627 17.790 1.00 0.00 C ATOM 525 CD1 TRP A 37 -12.092 11.920 16.843 1.00 0.00 C ATOM 526 CD2 TRP A 37 -12.286 13.770 18.076 1.00 0.00 C ATOM 527 NE1 TRP A 37 -13.249 12.574 16.500 1.00 0.00 N ATOM 528 CE2 TRP A 37 -13.429 13.703 17.250 1.00 0.00 C ATOM 529 CE3 TRP A 37 -12.166 14.854 18.959 1.00 0.00 C ATOM 530 CZ2 TRP A 37 -14.413 14.682 17.266 1.00 0.00 C ATOM 531 CZ3 TRP A 37 -13.140 15.862 19.006 1.00 0.00 C ATOM 532 CH2 TRP A 37 -14.233 15.769 18.134 1.00 0.00 C ATOM 0 H TRP A 37 -7.854 12.152 19.190 1.00 0.00 H new ATOM 0 HA TRP A 37 -9.244 10.877 17.072 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -10.306 11.489 19.149 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -9.796 13.158 18.990 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -11.754 10.985 16.420 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -13.894 12.257 15.776 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -11.309 14.913 19.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -15.285 14.609 16.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -13.050 16.688 19.696 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -14.964 16.564 18.130 1.00 0.00 H new ATOM 543 N PHE A 38 -9.645 12.596 15.293 1.00 0.00 N ATOM 544 CA PHE A 38 -9.684 13.307 14.048 1.00 0.00 C ATOM 545 C PHE A 38 -11.133 13.708 13.899 1.00 0.00 C ATOM 546 O PHE A 38 -11.939 13.018 13.263 1.00 0.00 O ATOM 547 CB PHE A 38 -9.277 12.399 12.880 1.00 0.00 C ATOM 548 CG PHE A 38 -9.415 13.035 11.526 1.00 0.00 C ATOM 549 CD1 PHE A 38 -9.033 14.368 11.313 1.00 0.00 C ATOM 550 CD2 PHE A 38 -10.007 12.286 10.504 1.00 0.00 C ATOM 551 CE1 PHE A 38 -9.285 14.942 10.060 1.00 0.00 C ATOM 552 CE2 PHE A 38 -10.191 12.844 9.235 1.00 0.00 C ATOM 553 CZ PHE A 38 -9.845 14.175 9.026 1.00 0.00 C ATOM 0 H PHE A 38 -10.263 11.785 15.282 1.00 0.00 H new ATOM 0 HA PHE A 38 -8.997 14.154 14.040 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.241 12.090 13.019 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.886 11.495 12.908 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -8.556 14.938 12.096 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -10.324 11.271 10.696 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -9.047 15.981 9.888 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -10.596 12.250 8.429 1.00 0.00 H new ATOM 0 HZ PHE A 38 -10.009 14.623 8.057 1.00 0.00 H new ATOM 563 N THR A 39 -11.446 14.862 14.487 1.00 0.00 N ATOM 564 CA THR A 39 -12.733 15.531 14.324 1.00 0.00 C ATOM 565 C THR A 39 -13.178 15.463 12.885 1.00 0.00 C ATOM 566 O THR A 39 -14.351 15.265 12.643 1.00 0.00 O ATOM 567 CB THR A 39 -12.637 17.002 14.759 1.00 0.00 C ATOM 568 OG1 THR A 39 -11.702 17.633 13.920 1.00 0.00 O ATOM 569 CG2 THR A 39 -12.153 17.138 16.203 1.00 0.00 C ATOM 0 H THR A 39 -10.802 15.364 15.098 1.00 0.00 H new ATOM 0 HA THR A 39 -13.463 15.021 14.953 1.00 0.00 H new ATOM 0 HB THR A 39 -13.627 17.453 14.689 1.00 0.00 H new ATOM 0 HG1 THR A 39 -11.620 18.576 14.173 1.00 0.00 H new ATOM 0 HG21 THR A 39 -12.099 18.193 16.471 1.00 0.00 H new ATOM 0 HG22 THR A 39 -12.850 16.630 16.870 1.00 0.00 H new ATOM 0 HG23 THR A 39 -11.165 16.688 16.299 1.00 0.00 H new ATOM 577 N ASN A 40 -12.279 15.541 11.894 1.00 0.00 N ATOM 578 CA ASN A 40 -12.634 15.447 10.464 1.00 0.00 C ATOM 579 C ASN A 40 -13.685 16.494 10.064 1.00 0.00 C ATOM 580 O ASN A 40 -14.458 16.341 9.122 1.00 0.00 O ATOM 581 CB ASN A 40 -13.046 13.992 10.133 1.00 0.00 C ATOM 582 CG ASN A 40 -13.319 13.778 8.650 1.00 0.00 C ATOM 583 OD1 ASN A 40 -12.704 14.344 7.761 1.00 0.00 O ATOM 584 ND2 ASN A 40 -14.265 12.939 8.318 1.00 0.00 N ATOM 0 H ASN A 40 -11.281 15.671 12.058 1.00 0.00 H new ATOM 0 HA ASN A 40 -11.761 15.687 9.856 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -12.255 13.314 10.454 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -13.938 13.733 10.703 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -14.475 12.770 7.334 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -14.793 12.453 9.043 1.00 0.00 H new ATOM 591 N GLY A 41 -13.784 17.536 10.883 1.00 0.00 N ATOM 592 CA GLY A 41 -14.875 18.456 10.791 1.00 0.00 C ATOM 593 C GLY A 41 -15.929 18.330 11.878 1.00 0.00 C ATOM 594 O GLY A 41 -16.361 19.387 12.315 1.00 0.00 O ATOM 0 H GLY A 41 -13.109 17.752 11.617 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -14.475 19.470 10.812 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -15.358 18.324 9.823 1.00 0.00 H new ATOM 598 N TYR A 42 -16.333 17.118 12.290 1.00 0.00 N ATOM 599 CA TYR A 42 -17.257 16.847 13.399 1.00 0.00 C ATOM 600 C TYR A 42 -16.948 17.682 14.634 1.00 0.00 C ATOM 601 O TYR A 42 -15.808 18.066 14.877 1.00 0.00 O ATOM 602 CB TYR A 42 -17.211 15.354 13.772 1.00 0.00 C ATOM 603 CG TYR A 42 -17.673 14.466 12.634 1.00 0.00 C ATOM 604 CD1 TYR A 42 -19.039 14.459 12.354 1.00 0.00 C ATOM 605 CD2 TYR A 42 -16.801 13.626 11.910 1.00 0.00 C ATOM 606 CE1 TYR A 42 -19.557 13.620 11.358 1.00 0.00 C ATOM 607 CE2 TYR A 42 -17.304 12.794 10.896 1.00 0.00 C ATOM 608 CZ TYR A 42 -18.676 12.838 10.620 1.00 0.00 C ATOM 609 OH TYR A 42 -19.228 11.990 9.735 1.00 0.00 O ATOM 0 H TYR A 42 -16.009 16.263 11.838 1.00 0.00 H new ATOM 0 HA TYR A 42 -18.254 17.121 13.054 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -16.193 15.082 14.053 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -17.840 15.180 14.645 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -19.703 15.105 12.909 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -15.745 13.623 12.136 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -20.619 13.582 11.168 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -16.649 12.137 10.343 1.00 0.00 H new ATOM 0 HH TYR A 42 -18.743 11.139 9.751 1.00 0.00 H new ATOM 619 N ASP A 43 -17.970 17.919 15.442 1.00 0.00 N ATOM 620 CA ASP A 43 -17.768 18.658 16.696 1.00 0.00 C ATOM 621 C ASP A 43 -17.308 17.762 17.840 1.00 0.00 C ATOM 622 O ASP A 43 -16.509 18.165 18.679 1.00 0.00 O ATOM 623 CB ASP A 43 -19.093 19.289 17.119 1.00 0.00 C ATOM 624 CG ASP A 43 -19.079 20.803 17.109 1.00 0.00 C ATOM 625 OD1 ASP A 43 -17.995 21.420 17.214 1.00 0.00 O ATOM 626 OD2 ASP A 43 -20.203 21.335 17.021 1.00 0.00 O ATOM 0 H ASP A 43 -18.930 17.622 15.266 1.00 0.00 H new ATOM 0 HA ASP A 43 -16.995 19.403 16.505 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -19.881 18.938 16.453 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -19.346 18.944 18.122 1.00 0.00 H new ATOM 631 N GLY A 44 -17.845 16.542 17.888 1.00 0.00 N ATOM 632 CA GLY A 44 -17.557 15.551 18.921 1.00 0.00 C ATOM 633 C GLY A 44 -18.113 14.187 18.550 1.00 0.00 C ATOM 634 O GLY A 44 -17.366 13.292 18.169 1.00 0.00 O ATOM 0 H GLY A 44 -18.510 16.209 17.190 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.479 15.479 19.068 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.987 15.875 19.869 1.00 0.00 H new ATOM 638 N ASP A 45 -19.435 14.048 18.620 1.00 0.00 N ATOM 639 CA ASP A 45 -20.155 12.794 18.322 1.00 0.00 C ATOM 640 C ASP A 45 -21.017 12.952 17.076 1.00 0.00 C ATOM 641 O ASP A 45 -20.850 12.258 16.074 1.00 0.00 O ATOM 642 CB ASP A 45 -21.105 12.419 19.488 1.00 0.00 C ATOM 643 CG ASP A 45 -20.726 11.137 20.213 1.00 0.00 C ATOM 644 OD1 ASP A 45 -19.541 11.054 20.557 1.00 0.00 O ATOM 645 OD2 ASP A 45 -21.584 10.233 20.417 1.00 0.00 O ATOM 0 H ASP A 45 -20.055 14.812 18.889 1.00 0.00 H new ATOM 0 HA ASP A 45 -19.402 12.020 18.174 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -21.121 13.238 20.207 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -22.118 12.317 19.098 1.00 0.00 H new ATOM 650 N GLY A 46 -22.010 13.846 17.161 1.00 0.00 N ATOM 651 CA GLY A 46 -22.895 14.139 16.047 1.00 0.00 C ATOM 652 C GLY A 46 -22.123 14.654 14.837 1.00 0.00 C ATOM 653 O GLY A 46 -20.898 14.689 14.808 1.00 0.00 O ATOM 0 H GLY A 46 -22.215 14.381 18.005 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -23.445 13.239 15.772 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -23.632 14.882 16.352 1.00 0.00 H new ATOM 657 N LYS A 47 -22.866 15.078 13.819 1.00 0.00 N ATOM 658 CA LYS A 47 -22.285 15.693 12.630 1.00 0.00 C ATOM 659 C LYS A 47 -21.456 16.950 12.967 1.00 0.00 C ATOM 660 O LYS A 47 -21.118 17.278 14.101 1.00 0.00 O ATOM 661 CB LYS A 47 -23.357 15.942 11.568 1.00 0.00 C ATOM 662 CG LYS A 47 -24.158 14.667 11.262 1.00 0.00 C ATOM 663 CD LYS A 47 -25.319 15.008 10.337 1.00 0.00 C ATOM 664 CE LYS A 47 -26.199 13.770 10.125 1.00 0.00 C ATOM 665 NZ LYS A 47 -27.640 14.126 10.201 1.00 0.00 N ATOM 0 H LYS A 47 -23.883 15.006 13.795 1.00 0.00 H new ATOM 0 HA LYS A 47 -21.573 14.988 12.201 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -24.034 16.724 11.911 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -22.887 16.305 10.654 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -23.513 13.923 10.795 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -24.532 14.229 12.187 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -25.911 15.817 10.765 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -24.940 15.364 9.379 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -25.981 13.325 9.154 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -25.965 13.019 10.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -28.217 13.273 10.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -27.849 14.529 11.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -27.864 14.826 9.465 1.00 0.00 H new ATOM 679 N LEU A 48 -21.053 17.648 11.933 1.00 0.00 N ATOM 680 CA LEU A 48 -20.245 18.834 12.128 1.00 0.00 C ATOM 681 C LEU A 48 -21.132 20.024 12.489 1.00 0.00 C ATOM 682 O LEU A 48 -22.330 20.006 12.187 1.00 0.00 O ATOM 683 CB LEU A 48 -19.395 19.074 10.891 1.00 0.00 C ATOM 684 CG LEU A 48 -19.144 17.831 10.013 1.00 0.00 C ATOM 685 CD1 LEU A 48 -20.260 17.751 8.958 1.00 0.00 C ATOM 686 CD2 LEU A 48 -17.765 17.889 9.395 1.00 0.00 C ATOM 0 H LEU A 48 -21.265 17.423 10.961 1.00 0.00 H new ATOM 0 HA LEU A 48 -19.563 18.695 12.967 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -19.878 19.838 10.281 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -18.432 19.478 11.204 1.00 0.00 H new ATOM 0 HG LEU A 48 -19.171 16.923 10.615 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -20.101 16.878 8.326 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -21.226 17.668 9.456 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -20.245 18.651 8.344 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -17.605 17.004 8.779 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -17.681 18.782 8.776 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.014 17.922 10.184 1.00 0.00 H new ATOM 698 N PRO A 49 -20.554 21.061 13.104 1.00 0.00 N ATOM 699 CA PRO A 49 -21.307 22.254 13.441 1.00 0.00 C ATOM 700 C PRO A 49 -21.655 23.010 12.169 1.00 0.00 C ATOM 701 O PRO A 49 -21.050 22.812 11.107 1.00 0.00 O ATOM 702 CB PRO A 49 -20.376 23.085 14.332 1.00 0.00 C ATOM 703 CG PRO A 49 -18.968 22.524 14.115 1.00 0.00 C ATOM 704 CD PRO A 49 -19.140 21.198 13.392 1.00 0.00 C ATOM 0 HA PRO A 49 -22.244 22.028 13.950 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -20.420 24.141 14.064 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -20.669 23.009 15.379 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -18.363 23.212 13.525 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -18.455 22.384 15.067 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -18.554 21.180 12.473 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -18.789 20.372 14.010 1.00 0.00 H new ATOM 712 N LYS A 50 -22.643 23.902 12.280 1.00 0.00 N ATOM 713 CA LYS A 50 -23.075 24.785 11.194 1.00 0.00 C ATOM 714 C LYS A 50 -21.874 25.515 10.573 1.00 0.00 C ATOM 715 O LYS A 50 -21.405 26.520 11.099 1.00 0.00 O ATOM 716 CB LYS A 50 -24.200 25.720 11.673 1.00 0.00 C ATOM 717 CG LYS A 50 -24.264 27.028 10.865 1.00 0.00 C ATOM 718 CD LYS A 50 -25.668 27.600 10.713 1.00 0.00 C ATOM 719 CE LYS A 50 -25.882 28.014 9.249 1.00 0.00 C ATOM 720 NZ LYS A 50 -26.298 29.431 9.165 1.00 0.00 N ATOM 0 H LYS A 50 -23.174 24.033 13.141 1.00 0.00 H new ATOM 0 HA LYS A 50 -23.504 24.189 10.389 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -25.156 25.202 11.596 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -24.049 25.955 12.727 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -23.631 27.772 11.349 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -23.847 26.850 9.874 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -26.411 26.859 11.007 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -25.798 28.460 11.370 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -24.961 27.866 8.685 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -26.641 27.379 8.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -26.438 29.693 8.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -27.188 29.563 9.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -25.561 30.035 9.581 1.00 0.00 H new ATOM 734 N GLY A 51 -21.411 25.012 9.431 1.00 0.00 N ATOM 735 CA GLY A 51 -20.200 25.527 8.794 1.00 0.00 C ATOM 736 C GLY A 51 -19.011 24.613 9.005 1.00 0.00 C ATOM 737 O GLY A 51 -18.174 24.883 9.863 1.00 0.00 O ATOM 0 H GLY A 51 -21.857 24.246 8.926 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.377 25.649 7.725 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -19.973 26.515 9.195 1.00 0.00 H new ATOM 741 N ARG A 52 -18.893 23.576 8.172 1.00 0.00 N ATOM 742 CA ARG A 52 -17.746 22.669 8.134 1.00 0.00 C ATOM 743 C ARG A 52 -17.753 21.837 6.866 1.00 0.00 C ATOM 744 O ARG A 52 -18.792 21.735 6.221 1.00 0.00 O ATOM 745 CB ARG A 52 -17.824 21.742 9.352 1.00 0.00 C ATOM 746 CG ARG A 52 -16.731 22.046 10.375 1.00 0.00 C ATOM 747 CD ARG A 52 -15.336 21.765 9.821 1.00 0.00 C ATOM 748 NE ARG A 52 -14.305 22.130 10.801 1.00 0.00 N ATOM 749 CZ ARG A 52 -13.845 23.352 11.009 1.00 0.00 C ATOM 750 NH1 ARG A 52 -14.247 24.372 10.304 1.00 0.00 N ATOM 751 NH2 ARG A 52 -12.954 23.581 11.924 1.00 0.00 N ATOM 0 H ARG A 52 -19.612 23.339 7.488 1.00 0.00 H new ATOM 0 HA ARG A 52 -16.826 23.253 8.151 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -18.801 21.846 9.824 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -17.736 20.706 9.025 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -16.798 23.091 10.677 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -16.894 21.445 11.269 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -15.246 20.709 9.567 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -15.185 22.328 8.900 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.911 21.379 11.368 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -14.938 24.241 9.565 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.871 25.301 10.491 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.599 22.813 12.494 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.608 24.529 12.073 1.00 0.00 H new ATOM 765 N THR A 53 -16.613 21.207 6.581 1.00 0.00 N ATOM 766 CA THR A 53 -16.438 20.420 5.358 1.00 0.00 C ATOM 767 C THR A 53 -15.635 19.157 5.673 1.00 0.00 C ATOM 768 O THR A 53 -14.412 19.244 5.812 1.00 0.00 O ATOM 769 CB THR A 53 -15.848 21.277 4.244 1.00 0.00 C ATOM 770 OG1 THR A 53 -16.752 22.345 4.072 1.00 0.00 O ATOM 771 CG2 THR A 53 -15.700 20.510 2.923 1.00 0.00 C ATOM 0 H THR A 53 -15.791 21.226 7.185 1.00 0.00 H new ATOM 0 HA THR A 53 -17.404 20.086 4.980 1.00 0.00 H new ATOM 0 HB THR A 53 -14.844 21.605 4.515 1.00 0.00 H new ATOM 0 HG1 THR A 53 -16.426 22.939 3.364 1.00 0.00 H new ATOM 0 HG21 THR A 53 -15.275 21.169 2.165 1.00 0.00 H new ATOM 0 HG22 THR A 53 -15.041 19.655 3.071 1.00 0.00 H new ATOM 0 HG23 THR A 53 -16.679 20.161 2.593 1.00 0.00 H new ATOM 779 N PRO A 54 -16.314 18.016 5.898 1.00 0.00 N ATOM 780 CA PRO A 54 -15.652 16.759 6.204 1.00 0.00 C ATOM 781 C PRO A 54 -14.979 16.199 4.957 1.00 0.00 C ATOM 782 O PRO A 54 -15.442 16.343 3.819 1.00 0.00 O ATOM 783 CB PRO A 54 -16.753 15.815 6.710 1.00 0.00 C ATOM 784 CG PRO A 54 -18.079 16.408 6.229 1.00 0.00 C ATOM 785 CD PRO A 54 -17.754 17.841 5.786 1.00 0.00 C ATOM 0 HA PRO A 54 -14.870 16.884 6.953 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -16.612 14.808 6.318 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -16.732 15.740 7.797 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -18.492 15.827 5.404 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -18.823 16.403 7.026 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -18.082 18.009 4.760 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -18.278 18.564 6.411 1.00 0.00 H new ATOM 793 N ILE A 55 -13.843 15.556 5.177 1.00 0.00 N ATOM 794 CA ILE A 55 -13.067 14.969 4.101 1.00 0.00 C ATOM 795 C ILE A 55 -13.853 13.773 3.576 1.00 0.00 C ATOM 796 O ILE A 55 -14.205 12.859 4.317 1.00 0.00 O ATOM 797 CB ILE A 55 -11.659 14.608 4.589 1.00 0.00 C ATOM 798 CG1 ILE A 55 -11.026 15.790 5.356 1.00 0.00 C ATOM 799 CG2 ILE A 55 -10.798 14.252 3.376 1.00 0.00 C ATOM 800 CD1 ILE A 55 -9.531 15.613 5.602 1.00 0.00 C ATOM 0 H ILE A 55 -13.436 15.428 6.103 1.00 0.00 H new ATOM 0 HA ILE A 55 -12.916 15.673 3.283 1.00 0.00 H new ATOM 0 HB ILE A 55 -11.719 13.758 5.269 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -11.189 16.709 4.793 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -11.534 15.908 6.313 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.792 13.993 3.707 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.238 13.403 2.854 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.749 15.107 2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.147 16.477 6.145 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -9.363 14.711 6.190 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -9.013 15.525 4.647 1.00 0.00 H new ATOM 812 N LYS A 56 -14.201 13.801 2.296 1.00 0.00 N ATOM 813 CA LYS A 56 -14.889 12.672 1.678 1.00 0.00 C ATOM 814 C LYS A 56 -13.847 11.635 1.301 1.00 0.00 C ATOM 815 O LYS A 56 -12.846 11.953 0.661 1.00 0.00 O ATOM 816 CB LYS A 56 -15.737 13.186 0.505 1.00 0.00 C ATOM 817 CG LYS A 56 -16.085 12.103 -0.528 1.00 0.00 C ATOM 818 CD LYS A 56 -14.929 11.885 -1.522 1.00 0.00 C ATOM 819 CE LYS A 56 -15.430 11.552 -2.911 1.00 0.00 C ATOM 820 NZ LYS A 56 -14.282 11.178 -3.778 1.00 0.00 N ATOM 0 H LYS A 56 -14.021 14.585 1.669 1.00 0.00 H new ATOM 0 HA LYS A 56 -15.587 12.182 2.357 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -16.661 13.613 0.896 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -15.200 13.992 0.006 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -16.308 11.167 -0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -16.985 12.391 -1.071 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -14.313 12.783 -1.565 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -14.290 11.078 -1.164 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -16.146 10.731 -2.863 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -15.955 12.408 -3.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.627 10.949 -4.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.615 11.974 -3.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.800 10.349 -3.377 1.00 0.00 H new ATOM 834 N PHE A 57 -14.153 10.378 1.581 1.00 0.00 N ATOM 835 CA PHE A 57 -13.291 9.240 1.262 1.00 0.00 C ATOM 836 C PHE A 57 -14.007 8.279 0.330 1.00 0.00 C ATOM 837 O PHE A 57 -13.467 7.908 -0.707 1.00 0.00 O ATOM 838 CB PHE A 57 -12.897 8.554 2.564 1.00 0.00 C ATOM 839 CG PHE A 57 -12.521 9.498 3.691 1.00 0.00 C ATOM 840 CD1 PHE A 57 -11.196 9.945 3.814 1.00 0.00 C ATOM 841 CD2 PHE A 57 -13.496 9.880 4.636 1.00 0.00 C ATOM 842 CE1 PHE A 57 -10.844 10.781 4.891 1.00 0.00 C ATOM 843 CE2 PHE A 57 -13.137 10.703 5.711 1.00 0.00 C ATOM 844 CZ PHE A 57 -11.822 11.173 5.816 1.00 0.00 C ATOM 0 H PHE A 57 -15.021 10.110 2.044 1.00 0.00 H new ATOM 0 HA PHE A 57 -12.393 9.582 0.748 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -13.726 7.928 2.894 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -12.055 7.890 2.368 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -10.452 9.650 3.088 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -14.515 9.539 4.531 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -9.825 11.119 5.004 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -13.871 10.974 6.456 1.00 0.00 H new ATOM 0 HZ PHE A 57 -11.558 11.845 6.619 1.00 0.00 H new ATOM 854 N GLY A 58 -15.248 7.930 0.683 1.00 0.00 N ATOM 855 CA GLY A 58 -16.073 6.944 -0.013 1.00 0.00 C ATOM 856 C GLY A 58 -16.497 5.780 0.875 1.00 0.00 C ATOM 857 O GLY A 58 -17.198 4.888 0.410 1.00 0.00 O ATOM 0 H GLY A 58 -15.720 8.341 1.489 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -16.963 7.436 -0.405 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -15.520 6.557 -0.869 1.00 0.00 H new ATOM 861 N LYS A 59 -16.044 5.740 2.133 1.00 0.00 N ATOM 862 CA LYS A 59 -16.444 4.730 3.111 1.00 0.00 C ATOM 863 C LYS A 59 -17.555 5.264 3.971 1.00 0.00 C ATOM 864 O LYS A 59 -17.426 6.364 4.489 1.00 0.00 O ATOM 865 CB LYS A 59 -15.211 4.323 3.936 1.00 0.00 C ATOM 866 CG LYS A 59 -14.502 3.171 3.218 1.00 0.00 C ATOM 867 CD LYS A 59 -15.225 1.835 3.486 1.00 0.00 C ATOM 868 CE LYS A 59 -15.807 1.238 2.195 1.00 0.00 C ATOM 869 NZ LYS A 59 -15.058 0.022 1.780 1.00 0.00 N ATOM 0 H LYS A 59 -15.379 6.420 2.503 1.00 0.00 H new ATOM 0 HA LYS A 59 -16.826 3.840 2.611 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.535 5.171 4.050 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -15.511 4.017 4.938 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -14.474 3.366 2.146 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.468 3.105 3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.528 1.127 3.933 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -16.026 1.993 4.208 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -16.857 0.987 2.348 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -15.770 1.981 1.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.473 -0.360 0.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.062 0.268 1.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.115 -0.694 2.532 1.00 0.00 H new ATOM 883 N SER A 60 -18.574 4.431 4.172 1.00 0.00 N ATOM 884 CA SER A 60 -19.694 4.755 5.061 1.00 0.00 C ATOM 885 C SER A 60 -19.300 4.676 6.537 1.00 0.00 C ATOM 886 O SER A 60 -20.128 4.908 7.406 1.00 0.00 O ATOM 887 CB SER A 60 -20.864 3.808 4.794 1.00 0.00 C ATOM 888 OG SER A 60 -22.084 4.419 5.136 1.00 0.00 O ATOM 0 H SER A 60 -18.649 3.516 3.727 1.00 0.00 H new ATOM 0 HA SER A 60 -19.989 5.783 4.849 1.00 0.00 H new ATOM 0 HB2 SER A 60 -20.876 3.524 3.742 1.00 0.00 H new ATOM 0 HB3 SER A 60 -20.736 2.892 5.370 1.00 0.00 H new ATOM 0 HG SER A 60 -22.006 4.832 6.021 1.00 0.00 H new ATOM 894 N ASP A 61 -18.053 4.297 6.843 1.00 0.00 N ATOM 895 CA ASP A 61 -17.527 4.169 8.199 1.00 0.00 C ATOM 896 C ASP A 61 -16.937 5.489 8.632 1.00 0.00 C ATOM 897 O ASP A 61 -17.295 5.985 9.694 1.00 0.00 O ATOM 898 CB ASP A 61 -16.424 3.114 8.269 1.00 0.00 C ATOM 899 CG ASP A 61 -16.862 1.758 7.704 1.00 0.00 C ATOM 900 OD1 ASP A 61 -18.063 1.422 7.799 1.00 0.00 O ATOM 901 OD2 ASP A 61 -16.002 1.079 7.110 1.00 0.00 O ATOM 0 H ASP A 61 -17.364 4.065 6.128 1.00 0.00 H new ATOM 0 HA ASP A 61 -18.349 3.872 8.850 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.553 3.468 7.717 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -16.114 2.987 9.306 1.00 0.00 H new ATOM 906 N CYS A 62 -16.057 6.047 7.794 1.00 0.00 N ATOM 907 CA CYS A 62 -15.442 7.335 8.054 1.00 0.00 C ATOM 908 C CYS A 62 -16.413 8.481 7.809 1.00 0.00 C ATOM 909 O CYS A 62 -16.344 9.493 8.498 1.00 0.00 O ATOM 910 CB CYS A 62 -14.209 7.555 7.173 1.00 0.00 C ATOM 911 SG CYS A 62 -13.281 6.063 6.726 1.00 0.00 S ATOM 0 H CYS A 62 -15.757 5.613 6.921 1.00 0.00 H new ATOM 0 HA CYS A 62 -15.148 7.325 9.103 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -14.525 8.051 6.256 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -13.535 8.238 7.689 1.00 0.00 H new ATOM 916 N ASP A 63 -17.278 8.318 6.798 1.00 0.00 N ATOM 917 CA ASP A 63 -18.377 9.251 6.515 1.00 0.00 C ATOM 918 C ASP A 63 -19.397 9.292 7.641 1.00 0.00 C ATOM 919 O ASP A 63 -20.031 10.325 7.855 1.00 0.00 O ATOM 920 CB ASP A 63 -19.143 8.812 5.269 1.00 0.00 C ATOM 921 CG ASP A 63 -20.316 9.748 4.942 1.00 0.00 C ATOM 922 OD1 ASP A 63 -21.439 9.505 5.441 1.00 0.00 O ATOM 923 OD2 ASP A 63 -20.086 10.663 4.121 1.00 0.00 O ATOM 0 H ASP A 63 -17.234 7.531 6.151 1.00 0.00 H new ATOM 0 HA ASP A 63 -17.913 10.229 6.387 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -18.461 8.779 4.420 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -19.520 7.800 5.415 1.00 0.00 H new ATOM 928 N ARG A 64 -19.575 8.180 8.362 1.00 0.00 N ATOM 929 CA ARG A 64 -20.465 8.137 9.505 1.00 0.00 C ATOM 930 C ARG A 64 -20.037 9.126 10.596 1.00 0.00 C ATOM 931 O ARG A 64 -18.851 9.385 10.807 1.00 0.00 O ATOM 932 CB ARG A 64 -20.531 6.702 10.051 1.00 0.00 C ATOM 933 CG ARG A 64 -19.914 6.507 11.436 1.00 0.00 C ATOM 934 CD ARG A 64 -19.799 5.071 11.848 1.00 0.00 C ATOM 935 NE ARG A 64 -21.087 4.368 11.730 1.00 0.00 N ATOM 936 CZ ARG A 64 -21.219 3.065 11.602 1.00 0.00 C ATOM 937 NH1 ARG A 64 -20.185 2.281 11.743 1.00 0.00 N ATOM 938 NH2 ARG A 64 -22.387 2.540 11.362 1.00 0.00 N ATOM 0 H ARG A 64 -19.106 7.296 8.164 1.00 0.00 H new ATOM 0 HA ARG A 64 -21.460 8.440 9.180 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -21.575 6.392 10.088 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -20.026 6.039 9.349 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -18.923 6.960 11.449 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -20.518 7.039 12.171 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -19.054 4.573 11.228 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -19.446 5.015 12.878 1.00 0.00 H new ATOM 0 HE ARG A 64 -21.937 4.931 11.749 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -19.269 2.678 11.953 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -20.293 1.272 11.643 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -23.207 3.140 11.272 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -22.481 1.529 11.264 1.00 0.00 H new ATOM 952 N PRO A 65 -20.982 9.487 11.477 1.00 0.00 N ATOM 953 CA PRO A 65 -20.647 10.327 12.612 1.00 0.00 C ATOM 954 C PRO A 65 -19.788 9.602 13.674 1.00 0.00 C ATOM 955 O PRO A 65 -20.090 8.452 14.013 1.00 0.00 O ATOM 956 CB PRO A 65 -21.993 10.743 13.195 1.00 0.00 C ATOM 957 CG PRO A 65 -23.030 9.755 12.657 1.00 0.00 C ATOM 958 CD PRO A 65 -22.347 8.995 11.533 1.00 0.00 C ATOM 0 HA PRO A 65 -20.037 11.174 12.298 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -21.966 10.721 14.284 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -22.243 11.763 12.903 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -23.363 9.075 13.441 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -23.914 10.278 12.292 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -22.366 7.922 11.722 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -22.859 9.160 10.585 1.00 0.00 H new ATOM 966 N PRO A 66 -18.775 10.258 14.268 1.00 0.00 N ATOM 967 CA PRO A 66 -17.918 9.705 15.304 1.00 0.00 C ATOM 968 C PRO A 66 -18.661 9.564 16.638 1.00 0.00 C ATOM 969 O PRO A 66 -19.864 9.794 16.761 1.00 0.00 O ATOM 970 CB PRO A 66 -16.734 10.680 15.410 1.00 0.00 C ATOM 971 CG PRO A 66 -17.175 11.981 14.785 1.00 0.00 C ATOM 972 CD PRO A 66 -18.444 11.638 14.020 1.00 0.00 C ATOM 0 HA PRO A 66 -17.586 8.697 15.057 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -16.450 10.830 16.452 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -15.860 10.282 14.895 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.364 12.740 15.544 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -16.409 12.380 14.120 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -19.262 12.285 14.336 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -18.299 11.806 12.953 1.00 0.00 H new ATOM 980 N LYS A 67 -17.996 8.939 17.607 1.00 0.00 N ATOM 981 CA LYS A 67 -18.594 8.689 18.924 1.00 0.00 C ATOM 982 C LYS A 67 -17.612 9.031 20.045 1.00 0.00 C ATOM 983 O LYS A 67 -17.427 8.240 20.983 1.00 0.00 O ATOM 984 CB LYS A 67 -19.219 7.298 19.033 1.00 0.00 C ATOM 985 CG LYS A 67 -19.898 7.066 20.389 1.00 0.00 C ATOM 986 CD LYS A 67 -21.398 6.873 20.246 1.00 0.00 C ATOM 987 CE LYS A 67 -21.969 6.381 21.574 1.00 0.00 C ATOM 988 NZ LYS A 67 -22.945 7.360 22.116 1.00 0.00 N ATOM 0 H LYS A 67 -17.041 8.594 17.508 1.00 0.00 H new ATOM 0 HA LYS A 67 -19.438 9.368 19.046 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -19.951 7.168 18.236 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -18.447 6.543 18.882 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -19.463 6.188 20.867 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -19.702 7.916 21.043 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -21.872 7.811 19.958 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -21.611 6.153 19.456 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -22.454 5.415 21.432 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -21.161 6.230 22.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -23.323 7.009 23.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -22.472 8.273 22.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -23.725 7.484 21.439 1.00 0.00 H new ATOM 1002 N HIS A 68 -16.999 10.212 19.943 1.00 0.00 N ATOM 1003 CA HIS A 68 -16.095 10.703 20.976 1.00 0.00 C ATOM 1004 C HIS A 68 -16.745 10.989 22.335 1.00 0.00 C ATOM 1005 O HIS A 68 -17.691 11.758 22.474 1.00 0.00 O ATOM 1006 CB HIS A 68 -15.298 11.867 20.410 1.00 0.00 C ATOM 1007 CG HIS A 68 -14.310 12.439 21.377 1.00 0.00 C ATOM 1008 ND1 HIS A 68 -14.546 13.529 22.182 1.00 0.00 N ATOM 1009 CD2 HIS A 68 -13.033 11.997 21.569 1.00 0.00 C ATOM 1010 CE1 HIS A 68 -13.397 13.771 22.844 1.00 0.00 C ATOM 1011 NE2 HIS A 68 -12.457 12.863 22.477 1.00 0.00 N ATOM 0 H HIS A 68 -17.115 10.845 19.152 1.00 0.00 H new ATOM 0 HA HIS A 68 -15.412 9.893 21.232 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -14.770 11.535 19.516 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -15.987 12.652 20.099 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -12.567 11.141 21.104 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -13.247 14.567 23.558 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -11.495 12.827 22.813 1.00 0.00 H new ATOM 1020 N SER A 69 -16.165 10.468 23.417 1.00 0.00 N ATOM 1021 CA SER A 69 -16.679 10.723 24.788 1.00 0.00 C ATOM 1022 C SER A 69 -15.703 11.573 25.566 1.00 0.00 C ATOM 1023 O SER A 69 -15.805 12.801 25.555 1.00 0.00 O ATOM 1024 CB SER A 69 -17.079 9.387 25.431 1.00 0.00 C ATOM 1025 OG SER A 69 -17.162 9.306 26.855 1.00 0.00 O ATOM 0 H SER A 69 -15.341 9.867 23.384 1.00 0.00 H new ATOM 0 HA SER A 69 -17.591 11.320 24.774 1.00 0.00 H new ATOM 0 HB2 SER A 69 -18.051 9.104 25.027 1.00 0.00 H new ATOM 0 HB3 SER A 69 -16.365 8.634 25.099 1.00 0.00 H new ATOM 0 HG SER A 69 -17.428 8.400 27.116 1.00 0.00 H new ATOM 1031 N LYS A 70 -14.830 10.893 26.313 1.00 0.00 N ATOM 1032 CA LYS A 70 -13.807 11.497 27.161 1.00 0.00 C ATOM 1033 C LYS A 70 -12.741 12.161 26.319 1.00 0.00 C ATOM 1034 O LYS A 70 -12.873 12.199 25.108 1.00 0.00 O ATOM 1035 CB LYS A 70 -13.232 10.441 28.120 1.00 0.00 C ATOM 1036 CG LYS A 70 -13.590 10.824 29.561 1.00 0.00 C ATOM 1037 CD LYS A 70 -14.924 10.197 29.972 1.00 0.00 C ATOM 1038 CE LYS A 70 -15.113 10.326 31.484 1.00 0.00 C ATOM 1039 NZ LYS A 70 -16.273 9.521 31.940 1.00 0.00 N ATOM 0 H LYS A 70 -14.818 9.874 26.343 1.00 0.00 H new ATOM 0 HA LYS A 70 -14.255 12.281 27.771 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.635 9.457 27.881 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.150 10.378 28.005 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.803 10.491 30.237 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.650 11.909 29.650 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -15.744 10.690 29.450 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.947 9.147 29.682 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.210 9.995 31.998 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.264 11.373 31.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.383 9.623 32.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -17.136 9.855 31.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.114 8.520 31.706 1.00 0.00 H new ATOM 1053 N ASP A 71 -11.688 12.671 26.917 1.00 0.00 N ATOM 1054 CA ASP A 71 -10.542 13.199 26.152 1.00 0.00 C ATOM 1055 C ASP A 71 -9.719 12.114 25.407 1.00 0.00 C ATOM 1056 O ASP A 71 -8.499 12.129 25.378 1.00 0.00 O ATOM 1057 CB ASP A 71 -9.692 14.035 27.109 1.00 0.00 C ATOM 1058 CG ASP A 71 -9.010 13.171 28.190 1.00 0.00 C ATOM 1059 OD1 ASP A 71 -9.781 12.619 29.021 1.00 0.00 O ATOM 1060 OD2 ASP A 71 -7.766 13.103 28.226 1.00 0.00 O ATOM 0 H ASP A 71 -11.586 12.739 27.930 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.920 13.821 25.341 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.931 14.572 26.542 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.320 14.785 27.589 1.00 0.00 H new ATOM 1065 N GLY A 72 -10.379 11.115 24.839 1.00 0.00 N ATOM 1066 CA GLY A 72 -9.676 10.045 24.165 1.00 0.00 C ATOM 1067 C GLY A 72 -10.689 9.256 23.378 1.00 0.00 C ATOM 1068 O GLY A 72 -11.229 9.748 22.405 1.00 0.00 O ATOM 0 H GLY A 72 -11.395 11.027 24.834 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.908 10.448 23.504 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.170 9.405 24.888 1.00 0.00 H new ATOM 1072 N ASN A 73 -11.018 8.072 23.868 1.00 0.00 N ATOM 1073 CA ASN A 73 -11.906 7.127 23.199 1.00 0.00 C ATOM 1074 C ASN A 73 -13.204 7.090 24.035 1.00 0.00 C ATOM 1075 O ASN A 73 -14.173 7.848 23.905 1.00 0.00 O ATOM 1076 CB ASN A 73 -11.193 5.752 23.020 1.00 0.00 C ATOM 1077 CG ASN A 73 -10.221 5.389 24.145 1.00 0.00 C ATOM 1078 OD1 ASN A 73 -9.223 6.014 24.453 1.00 0.00 O ATOM 1079 ND2 ASN A 73 -10.563 4.417 24.947 1.00 0.00 N ATOM 0 H ASN A 73 -10.668 7.730 24.763 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.165 7.424 22.183 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.950 4.972 22.946 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -10.649 5.760 22.075 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.003 4.219 25.776 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -11.390 3.855 24.744 1.00 0.00 H new ATOM 1086 N GLY A 74 -13.216 6.182 25.000 1.00 0.00 N ATOM 1087 CA GLY A 74 -14.376 5.916 25.824 1.00 0.00 C ATOM 1088 C GLY A 74 -14.813 4.480 25.665 1.00 0.00 C ATOM 1089 O GLY A 74 -13.986 3.581 25.732 1.00 0.00 O ATOM 0 H GLY A 74 -12.408 5.604 25.232 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -14.142 6.119 26.869 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -15.190 6.584 25.544 1.00 0.00 H new ATOM 1093 N LYS A 75 -16.125 4.275 25.515 1.00 0.00 N ATOM 1094 CA LYS A 75 -16.749 2.944 25.413 1.00 0.00 C ATOM 1095 C LYS A 75 -16.309 2.259 24.125 1.00 0.00 C ATOM 1096 O LYS A 75 -15.394 1.453 24.123 1.00 0.00 O ATOM 1097 CB LYS A 75 -18.279 3.073 25.519 1.00 0.00 C ATOM 1098 CG LYS A 75 -18.686 3.619 26.897 1.00 0.00 C ATOM 1099 CD LYS A 75 -20.096 4.200 26.846 1.00 0.00 C ATOM 1100 CE LYS A 75 -20.443 4.861 28.184 1.00 0.00 C ATOM 1101 NZ LYS A 75 -21.902 5.142 28.272 1.00 0.00 N ATOM 0 H LYS A 75 -16.798 5.039 25.460 1.00 0.00 H new ATOM 0 HA LYS A 75 -16.419 2.315 26.240 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -18.648 3.736 24.737 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -18.743 2.100 25.357 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -18.642 2.821 27.638 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.981 4.388 27.213 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -20.167 4.932 26.041 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -20.815 3.411 26.624 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -20.143 4.210 29.005 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -19.882 5.789 28.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -22.115 5.590 29.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -22.179 5.782 27.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -22.433 4.251 28.191 1.00 0.00 H new ATOM 1115 N THR A 76 -16.917 2.648 23.013 1.00 0.00 N ATOM 1116 CA THR A 76 -16.584 2.102 21.693 1.00 0.00 C ATOM 1117 C THR A 76 -16.301 3.198 20.692 1.00 0.00 C ATOM 1118 O THR A 76 -16.646 3.031 19.535 1.00 0.00 O ATOM 1119 CB THR A 76 -17.675 1.117 21.233 1.00 0.00 C ATOM 1120 OG1 THR A 76 -17.027 0.151 20.439 1.00 0.00 O ATOM 1121 CG2 THR A 76 -18.882 1.722 20.475 1.00 0.00 C ATOM 0 H THR A 76 -17.656 3.351 22.994 1.00 0.00 H new ATOM 0 HA THR A 76 -15.657 1.534 21.769 1.00 0.00 H new ATOM 0 HB THR A 76 -18.138 0.707 22.131 1.00 0.00 H new ATOM 0 HG1 THR A 76 -17.683 -0.504 20.121 1.00 0.00 H new ATOM 0 HG21 THR A 76 -19.578 0.927 20.206 1.00 0.00 H new ATOM 0 HG22 THR A 76 -19.387 2.446 21.114 1.00 0.00 H new ATOM 0 HG23 THR A 76 -18.532 2.219 19.570 1.00 0.00 H new ATOM 1129 N ASP A 77 -15.760 4.333 21.139 1.00 0.00 N ATOM 1130 CA ASP A 77 -15.485 5.504 20.307 1.00 0.00 C ATOM 1131 C ASP A 77 -15.155 5.191 18.848 1.00 0.00 C ATOM 1132 O ASP A 77 -14.024 4.919 18.478 1.00 0.00 O ATOM 1133 CB ASP A 77 -14.315 6.284 20.914 1.00 0.00 C ATOM 1134 CG ASP A 77 -14.367 7.701 20.398 1.00 0.00 C ATOM 1135 OD1 ASP A 77 -15.092 7.880 19.384 1.00 0.00 O ATOM 1136 OD2 ASP A 77 -13.786 8.572 21.074 1.00 0.00 O ATOM 0 H ASP A 77 -15.495 4.466 22.115 1.00 0.00 H new ATOM 0 HA ASP A 77 -16.409 6.083 20.295 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -14.377 6.274 22.002 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -13.368 5.817 20.645 1.00 0.00 H new ATOM 1141 N HIS A 78 -16.165 5.124 17.984 1.00 0.00 N ATOM 1142 CA HIS A 78 -15.944 4.612 16.621 1.00 0.00 C ATOM 1143 C HIS A 78 -15.462 5.749 15.727 1.00 0.00 C ATOM 1144 O HIS A 78 -15.566 5.669 14.507 1.00 0.00 O ATOM 1145 CB HIS A 78 -17.205 3.925 16.089 1.00 0.00 C ATOM 1146 CG HIS A 78 -18.387 4.833 15.853 1.00 0.00 C ATOM 1147 ND1 HIS A 78 -19.569 4.469 15.256 1.00 0.00 N ATOM 1148 CD2 HIS A 78 -18.476 6.144 16.215 1.00 0.00 C ATOM 1149 CE1 HIS A 78 -20.368 5.566 15.259 1.00 0.00 C ATOM 1150 NE2 HIS A 78 -19.738 6.586 15.873 1.00 0.00 N ATOM 0 H HIS A 78 -17.123 5.408 18.189 1.00 0.00 H new ATOM 0 HA HIS A 78 -15.166 3.849 16.631 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -16.959 3.427 15.151 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -17.500 3.149 16.795 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -19.802 3.549 14.882 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -17.700 6.730 16.684 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -21.359 5.614 14.833 1.00 0.00 H new ATOM 1159 N TYR A 79 -15.102 6.865 16.366 1.00 0.00 N ATOM 1160 CA TYR A 79 -14.492 8.017 15.759 1.00 0.00 C ATOM 1161 C TYR A 79 -13.297 7.647 14.885 1.00 0.00 C ATOM 1162 O TYR A 79 -12.814 6.509 14.836 1.00 0.00 O ATOM 1163 CB TYR A 79 -14.109 9.006 16.867 1.00 0.00 C ATOM 1164 CG TYR A 79 -12.910 8.557 17.726 1.00 0.00 C ATOM 1165 CD1 TYR A 79 -12.446 7.217 17.768 1.00 0.00 C ATOM 1166 CD2 TYR A 79 -12.291 9.472 18.587 1.00 0.00 C ATOM 1167 CE1 TYR A 79 -11.388 6.801 18.568 1.00 0.00 C ATOM 1168 CE2 TYR A 79 -11.200 9.057 19.379 1.00 0.00 C ATOM 1169 CZ TYR A 79 -10.757 7.720 19.388 1.00 0.00 C ATOM 1170 OH TYR A 79 -9.707 7.268 20.127 1.00 0.00 O ATOM 0 H TYR A 79 -15.241 6.980 17.370 1.00 0.00 H new ATOM 0 HA TYR A 79 -15.209 8.487 15.085 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -13.877 9.970 16.414 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -14.971 9.158 17.517 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -12.939 6.484 17.148 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.647 10.490 18.644 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.062 5.772 18.550 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -10.691 9.784 19.995 1.00 0.00 H new ATOM 0 HH TYR A 79 -9.262 6.536 19.650 1.00 0.00 H new ATOM 1180 N LEU A 80 -12.848 8.645 14.156 1.00 0.00 N ATOM 1181 CA LEU A 80 -11.618 8.494 13.406 1.00 0.00 C ATOM 1182 C LEU A 80 -10.459 9.037 14.202 1.00 0.00 C ATOM 1183 O LEU A 80 -10.605 10.070 14.835 1.00 0.00 O ATOM 1184 CB LEU A 80 -11.807 9.209 12.076 1.00 0.00 C ATOM 1185 CG LEU A 80 -12.539 8.266 11.110 1.00 0.00 C ATOM 1186 CD1 LEU A 80 -13.965 8.715 10.809 1.00 0.00 C ATOM 1187 CD2 LEU A 80 -11.745 8.159 9.815 1.00 0.00 C ATOM 0 H LEU A 80 -13.304 9.553 14.066 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.389 7.446 13.213 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.381 10.125 12.218 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -10.841 9.499 11.662 1.00 0.00 H new ATOM 0 HG LEU A 80 -12.612 7.293 11.596 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -14.431 8.009 10.121 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -14.538 8.751 11.735 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -13.946 9.706 10.355 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -12.261 7.490 9.126 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.653 9.146 9.362 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.752 7.764 10.029 1.00 0.00 H new ATOM 1199 N LEU A 81 -9.314 8.382 14.146 1.00 0.00 N ATOM 1200 CA LEU A 81 -8.097 8.863 14.770 1.00 0.00 C ATOM 1201 C LEU A 81 -7.047 8.938 13.667 1.00 0.00 C ATOM 1202 O LEU A 81 -6.865 8.009 12.870 1.00 0.00 O ATOM 1203 CB LEU A 81 -7.813 7.974 15.995 1.00 0.00 C ATOM 1204 CG LEU A 81 -6.334 7.872 16.370 1.00 0.00 C ATOM 1205 CD1 LEU A 81 -6.245 7.320 17.775 1.00 0.00 C ATOM 1206 CD2 LEU A 81 -5.505 7.038 15.427 1.00 0.00 C ATOM 0 H LEU A 81 -9.203 7.492 13.661 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.136 9.868 15.189 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.366 8.365 16.849 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.196 6.972 15.799 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.912 8.875 16.301 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.198 7.237 18.068 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.762 7.990 18.462 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.710 6.335 17.809 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.470 7.021 15.770 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.896 6.021 15.402 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.549 7.468 14.427 1.00 0.00 H new ATOM 1218 N GLU A 82 -6.391 10.087 13.584 1.00 0.00 N ATOM 1219 CA GLU A 82 -5.258 10.267 12.703 1.00 0.00 C ATOM 1220 C GLU A 82 -3.917 9.957 13.372 1.00 0.00 C ATOM 1221 O GLU A 82 -3.739 10.061 14.592 1.00 0.00 O ATOM 1222 CB GLU A 82 -5.243 11.691 12.153 1.00 0.00 C ATOM 1223 CG GLU A 82 -4.851 12.792 13.085 1.00 0.00 C ATOM 1224 CD GLU A 82 -6.083 13.389 13.696 1.00 0.00 C ATOM 1225 OE1 GLU A 82 -6.676 12.671 14.492 1.00 0.00 O ATOM 1226 OE2 GLU A 82 -6.195 14.625 13.537 1.00 0.00 O ATOM 0 H GLU A 82 -6.633 10.916 14.127 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.380 9.550 11.891 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.563 11.714 11.301 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.239 11.914 11.771 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.195 12.407 13.865 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.291 13.557 12.547 1.00 0.00 H new ATOM 1233 N PHE A 83 -2.881 9.785 12.554 1.00 0.00 N ATOM 1234 CA PHE A 83 -1.554 9.501 13.087 1.00 0.00 C ATOM 1235 C PHE A 83 -0.427 9.991 12.170 1.00 0.00 C ATOM 1236 O PHE A 83 -0.517 9.786 10.967 1.00 0.00 O ATOM 1237 CB PHE A 83 -1.433 8.003 13.233 1.00 0.00 C ATOM 1238 CG PHE A 83 -0.114 7.564 13.782 1.00 0.00 C ATOM 1239 CD1 PHE A 83 0.194 7.783 15.135 1.00 0.00 C ATOM 1240 CD2 PHE A 83 0.818 6.987 12.908 1.00 0.00 C ATOM 1241 CE1 PHE A 83 1.418 7.379 15.664 1.00 0.00 C ATOM 1242 CE2 PHE A 83 2.039 6.595 13.440 1.00 0.00 C ATOM 1243 CZ PHE A 83 2.318 6.763 14.790 1.00 0.00 C ATOM 0 H PHE A 83 -2.933 9.836 11.537 1.00 0.00 H new ATOM 0 HA PHE A 83 -1.450 10.025 14.037 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.228 7.644 13.887 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.586 7.537 12.260 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -0.527 8.271 15.774 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.595 6.852 11.860 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.661 7.535 16.705 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.783 6.153 12.794 1.00 0.00 H new ATOM 0 HZ PHE A 83 3.261 6.406 15.177 1.00 0.00 H new ATOM 1253 N PRO A 84 0.602 10.692 12.672 1.00 0.00 N ATOM 1254 CA PRO A 84 1.692 11.265 11.897 1.00 0.00 C ATOM 1255 C PRO A 84 2.624 10.170 11.448 1.00 0.00 C ATOM 1256 O PRO A 84 3.367 9.618 12.257 1.00 0.00 O ATOM 1257 CB PRO A 84 2.394 12.289 12.789 1.00 0.00 C ATOM 1258 CG PRO A 84 1.943 11.947 14.183 1.00 0.00 C ATOM 1259 CD PRO A 84 0.778 10.990 14.057 1.00 0.00 C ATOM 0 HA PRO A 84 1.330 11.761 10.997 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.478 12.221 12.695 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.114 13.308 12.520 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.755 11.491 14.749 1.00 0.00 H new ATOM 0 HG3 PRO A 84 1.645 12.846 14.722 1.00 0.00 H new ATOM 0 HD2 PRO A 84 0.971 10.078 14.622 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -0.128 11.435 14.469 1.00 0.00 H new ATOM 1267 N THR A 85 2.568 9.904 10.147 1.00 0.00 N ATOM 1268 CA THR A 85 3.352 8.869 9.483 1.00 0.00 C ATOM 1269 C THR A 85 4.413 9.510 8.623 1.00 0.00 C ATOM 1270 O THR A 85 4.125 10.197 7.646 1.00 0.00 O ATOM 1271 CB THR A 85 2.473 7.873 8.697 1.00 0.00 C ATOM 1272 OG1 THR A 85 3.171 7.078 7.750 1.00 0.00 O ATOM 1273 CG2 THR A 85 1.326 8.576 7.978 1.00 0.00 C ATOM 0 H THR A 85 1.960 10.416 9.508 1.00 0.00 H new ATOM 0 HA THR A 85 3.847 8.270 10.247 1.00 0.00 H new ATOM 0 HB THR A 85 2.094 7.203 9.469 1.00 0.00 H new ATOM 0 HG1 THR A 85 2.709 7.117 6.886 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.731 7.841 7.436 1.00 0.00 H new ATOM 0 HG22 THR A 85 0.697 9.086 8.708 1.00 0.00 H new ATOM 0 HG23 THR A 85 1.729 9.305 7.275 1.00 0.00 H new ATOM 1281 N PHE A 86 5.662 9.367 9.045 1.00 0.00 N ATOM 1282 CA PHE A 86 6.800 9.902 8.308 1.00 0.00 C ATOM 1283 C PHE A 86 7.225 8.984 7.157 1.00 0.00 C ATOM 1284 O PHE A 86 6.983 7.770 7.192 1.00 0.00 O ATOM 1285 CB PHE A 86 7.963 10.092 9.282 1.00 0.00 C ATOM 1286 CG PHE A 86 7.695 11.136 10.337 1.00 0.00 C ATOM 1287 CD1 PHE A 86 6.873 10.797 11.423 1.00 0.00 C ATOM 1288 CD2 PHE A 86 8.238 12.432 10.214 1.00 0.00 C ATOM 1289 CE1 PHE A 86 6.601 11.754 12.399 1.00 0.00 C ATOM 1290 CE2 PHE A 86 7.984 13.382 11.216 1.00 0.00 C ATOM 1291 CZ PHE A 86 7.187 13.014 12.311 1.00 0.00 C ATOM 0 H PHE A 86 5.915 8.879 9.904 1.00 0.00 H new ATOM 0 HA PHE A 86 6.509 10.854 7.865 1.00 0.00 H new ATOM 0 HB2 PHE A 86 8.179 9.141 9.769 1.00 0.00 H new ATOM 0 HB3 PHE A 86 8.855 10.373 8.722 1.00 0.00 H new ATOM 0 HD1 PHE A 86 6.455 9.804 11.502 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.843 12.691 9.358 1.00 0.00 H new ATOM 0 HE1 PHE A 86 5.939 11.519 13.219 1.00 0.00 H new ATOM 0 HE2 PHE A 86 8.395 14.378 11.145 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.024 13.727 13.106 1.00 0.00 H new ATOM 1301 N PRO A 87 7.926 9.535 6.150 1.00 0.00 N ATOM 1302 CA PRO A 87 8.394 8.755 5.014 1.00 0.00 C ATOM 1303 C PRO A 87 9.585 7.899 5.362 1.00 0.00 C ATOM 1304 O PRO A 87 9.609 6.750 4.921 1.00 0.00 O ATOM 1305 CB PRO A 87 8.861 9.770 3.982 1.00 0.00 C ATOM 1306 CG PRO A 87 9.018 11.102 4.692 1.00 0.00 C ATOM 1307 CD PRO A 87 8.375 10.918 6.056 1.00 0.00 C ATOM 0 HA PRO A 87 7.594 8.099 4.670 1.00 0.00 H new ATOM 0 HB2 PRO A 87 9.806 9.458 3.538 1.00 0.00 H new ATOM 0 HB3 PRO A 87 8.139 9.851 3.170 1.00 0.00 H new ATOM 0 HG2 PRO A 87 10.069 11.373 4.788 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.532 11.903 4.135 1.00 0.00 H new ATOM 0 HD2 PRO A 87 9.088 11.143 6.849 1.00 0.00 H new ATOM 0 HD3 PRO A 87 7.535 11.602 6.179 1.00 0.00 H new ATOM 1315 N ASP A 88 10.516 8.413 6.195 1.00 0.00 N ATOM 1316 CA ASP A 88 11.710 7.689 6.675 1.00 0.00 C ATOM 1317 C ASP A 88 11.334 6.276 7.132 1.00 0.00 C ATOM 1318 O ASP A 88 12.074 5.294 7.018 1.00 0.00 O ATOM 1319 CB ASP A 88 12.350 8.395 7.874 1.00 0.00 C ATOM 1320 CG ASP A 88 12.327 9.915 7.801 1.00 0.00 C ATOM 1321 OD1 ASP A 88 13.263 10.475 7.213 1.00 0.00 O ATOM 1322 OD2 ASP A 88 11.369 10.469 8.381 1.00 0.00 O ATOM 0 H ASP A 88 10.456 9.364 6.559 1.00 0.00 H new ATOM 0 HA ASP A 88 12.411 7.657 5.841 1.00 0.00 H new ATOM 0 HB2 ASP A 88 11.835 8.080 8.782 1.00 0.00 H new ATOM 0 HB3 ASP A 88 13.385 8.064 7.964 1.00 0.00 H new ATOM 1327 N GLY A 89 10.102 6.160 7.631 1.00 0.00 N ATOM 1328 CA GLY A 89 9.529 4.931 8.102 1.00 0.00 C ATOM 1329 C GLY A 89 9.891 4.627 9.520 1.00 0.00 C ATOM 1330 O GLY A 89 9.474 3.585 10.025 1.00 0.00 O ATOM 0 H GLY A 89 9.468 6.954 7.714 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.444 4.984 8.013 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.862 4.113 7.464 1.00 0.00 H new ATOM 1334 N HIS A 90 10.681 5.518 10.117 1.00 0.00 N ATOM 1335 CA HIS A 90 11.059 5.431 11.506 1.00 0.00 C ATOM 1336 C HIS A 90 9.762 5.548 12.305 1.00 0.00 C ATOM 1337 O HIS A 90 8.899 6.380 11.999 1.00 0.00 O ATOM 1338 CB HIS A 90 12.162 6.467 11.816 1.00 0.00 C ATOM 1339 CG HIS A 90 11.763 7.942 11.859 1.00 0.00 C ATOM 1340 ND1 HIS A 90 12.264 8.936 11.037 1.00 0.00 N ATOM 1341 CD2 HIS A 90 10.861 8.531 12.713 1.00 0.00 C ATOM 1342 CE1 HIS A 90 11.631 10.086 11.335 1.00 0.00 C ATOM 1343 NE2 HIS A 90 10.766 9.875 12.344 1.00 0.00 N ATOM 0 H HIS A 90 11.075 6.326 9.635 1.00 0.00 H new ATOM 0 HA HIS A 90 11.524 4.486 11.786 1.00 0.00 H new ATOM 0 HB2 HIS A 90 12.601 6.211 12.780 1.00 0.00 H new ATOM 0 HB3 HIS A 90 12.947 6.354 11.068 1.00 0.00 H new ATOM 0 HD2 HIS A 90 10.327 8.046 13.517 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.793 11.032 10.840 1.00 0.00 H new ATOM 0 HE2 HIS A 90 10.151 10.572 12.764 1.00 0.00 H new ATOM 1352 N ASP A 91 9.578 4.631 13.249 1.00 0.00 N ATOM 1353 CA ASP A 91 8.499 4.696 14.241 1.00 0.00 C ATOM 1354 C ASP A 91 8.650 6.027 14.976 1.00 0.00 C ATOM 1355 O ASP A 91 9.603 6.208 15.740 1.00 0.00 O ATOM 1356 CB ASP A 91 8.614 3.499 15.190 1.00 0.00 C ATOM 1357 CG ASP A 91 7.548 3.521 16.276 1.00 0.00 C ATOM 1358 OD1 ASP A 91 7.759 4.158 17.322 1.00 0.00 O ATOM 1359 OD2 ASP A 91 6.501 2.916 15.953 1.00 0.00 O ATOM 0 H ASP A 91 10.177 3.812 13.352 1.00 0.00 H new ATOM 0 HA ASP A 91 7.512 4.647 13.780 1.00 0.00 H new ATOM 0 HB2 ASP A 91 8.529 2.575 14.618 1.00 0.00 H new ATOM 0 HB3 ASP A 91 9.601 3.498 15.652 1.00 0.00 H new ATOM 1364 N TYR A 92 7.889 7.035 14.525 1.00 0.00 N ATOM 1365 CA TYR A 92 7.880 8.359 15.115 1.00 0.00 C ATOM 1366 C TYR A 92 7.901 8.240 16.634 1.00 0.00 C ATOM 1367 O TYR A 92 7.295 7.357 17.212 1.00 0.00 O ATOM 1368 CB TYR A 92 6.654 9.088 14.579 1.00 0.00 C ATOM 1369 CG TYR A 92 6.285 10.346 15.336 1.00 0.00 C ATOM 1370 CD1 TYR A 92 7.267 11.283 15.692 1.00 0.00 C ATOM 1371 CD2 TYR A 92 4.948 10.583 15.667 1.00 0.00 C ATOM 1372 CE1 TYR A 92 6.913 12.412 16.449 1.00 0.00 C ATOM 1373 CE2 TYR A 92 4.596 11.719 16.426 1.00 0.00 C ATOM 1374 CZ TYR A 92 5.567 12.651 16.809 1.00 0.00 C ATOM 1375 OH TYR A 92 5.187 13.825 17.402 1.00 0.00 O ATOM 0 H TYR A 92 7.258 6.940 13.729 1.00 0.00 H new ATOM 0 HA TYR A 92 8.764 8.937 14.847 1.00 0.00 H new ATOM 0 HB2 TYR A 92 6.830 9.347 13.535 1.00 0.00 H new ATOM 0 HB3 TYR A 92 5.804 8.405 14.600 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.292 11.137 15.385 1.00 0.00 H new ATOM 0 HD2 TYR A 92 4.182 9.895 15.341 1.00 0.00 H new ATOM 0 HE1 TYR A 92 7.679 13.107 16.760 1.00 0.00 H new ATOM 0 HE2 TYR A 92 3.566 11.871 16.714 1.00 0.00 H new ATOM 0 HH TYR A 92 5.877 14.505 17.254 1.00 0.00 H new ATOM 1385 N LYS A 93 8.579 9.128 17.329 1.00 0.00 N ATOM 1386 CA LYS A 93 8.501 9.122 18.778 1.00 0.00 C ATOM 1387 C LYS A 93 7.161 9.703 19.207 1.00 0.00 C ATOM 1388 O LYS A 93 7.088 10.748 19.846 1.00 0.00 O ATOM 1389 CB LYS A 93 9.699 9.870 19.316 1.00 0.00 C ATOM 1390 CG LYS A 93 9.900 11.220 18.604 1.00 0.00 C ATOM 1391 CD LYS A 93 10.767 12.111 19.464 1.00 0.00 C ATOM 1392 CE LYS A 93 12.143 11.511 19.675 1.00 0.00 C ATOM 1393 NZ LYS A 93 13.120 12.585 19.956 1.00 0.00 N ATOM 0 H LYS A 93 9.178 9.849 16.928 1.00 0.00 H new ATOM 0 HA LYS A 93 8.540 8.114 19.191 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.571 10.039 20.385 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.593 9.259 19.194 1.00 0.00 H new ATOM 0 HG2 LYS A 93 10.368 11.066 17.632 1.00 0.00 H new ATOM 0 HG3 LYS A 93 8.936 11.696 18.422 1.00 0.00 H new ATOM 0 HD2 LYS A 93 10.864 13.090 18.994 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.285 12.267 20.429 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.118 10.803 20.504 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.446 10.953 18.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.019 12.164 20.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.278 13.145 19.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.751 13.203 20.707 1.00 0.00 H new ATOM 1407 N PHE A 94 6.068 9.077 18.817 1.00 0.00 N ATOM 1408 CA PHE A 94 4.743 9.437 19.252 1.00 0.00 C ATOM 1409 C PHE A 94 4.466 8.980 20.664 1.00 0.00 C ATOM 1410 O PHE A 94 3.436 9.387 21.163 1.00 0.00 O ATOM 1411 CB PHE A 94 3.718 8.835 18.317 1.00 0.00 C ATOM 1412 CG PHE A 94 3.847 7.355 18.086 1.00 0.00 C ATOM 1413 CD1 PHE A 94 3.256 6.419 18.944 1.00 0.00 C ATOM 1414 CD2 PHE A 94 4.607 6.938 16.998 1.00 0.00 C ATOM 1415 CE1 PHE A 94 3.468 5.052 18.689 1.00 0.00 C ATOM 1416 CE2 PHE A 94 4.852 5.584 16.764 1.00 0.00 C ATOM 1417 CZ PHE A 94 4.265 4.638 17.605 1.00 0.00 C ATOM 0 H PHE A 94 6.083 8.286 18.173 1.00 0.00 H new ATOM 0 HA PHE A 94 4.676 10.525 19.235 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.724 9.038 18.715 1.00 0.00 H new ATOM 0 HB3 PHE A 94 3.786 9.343 17.355 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.653 6.739 19.781 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.015 7.675 16.322 1.00 0.00 H new ATOM 0 HE1 PHE A 94 3.014 4.312 19.332 1.00 0.00 H new ATOM 0 HE2 PHE A 94 5.485 5.274 15.946 1.00 0.00 H new ATOM 0 HZ PHE A 94 4.423 3.585 17.424 1.00 0.00 H new ATOM 1427 N ASP A 95 5.363 8.257 21.325 1.00 0.00 N ATOM 1428 CA ASP A 95 5.200 7.754 22.698 1.00 0.00 C ATOM 1429 C ASP A 95 6.054 8.551 23.682 1.00 0.00 C ATOM 1430 O ASP A 95 5.725 8.717 24.851 1.00 0.00 O ATOM 1431 CB ASP A 95 5.649 6.287 22.733 1.00 0.00 C ATOM 1432 CG ASP A 95 4.681 5.402 23.528 1.00 0.00 C ATOM 1433 OD1 ASP A 95 3.858 5.959 24.299 1.00 0.00 O ATOM 1434 OD2 ASP A 95 4.758 4.174 23.326 1.00 0.00 O ATOM 0 H ASP A 95 6.257 7.992 20.912 1.00 0.00 H new ATOM 0 HA ASP A 95 4.154 7.854 22.987 1.00 0.00 H new ATOM 0 HB2 ASP A 95 5.730 5.909 21.714 1.00 0.00 H new ATOM 0 HB3 ASP A 95 6.643 6.224 23.176 1.00 0.00 H new ATOM 1439 N SER A 96 7.145 9.140 23.195 1.00 0.00 N ATOM 1440 CA SER A 96 8.068 9.932 24.001 1.00 0.00 C ATOM 1441 C SER A 96 7.801 11.390 23.751 1.00 0.00 C ATOM 1442 O SER A 96 8.191 11.909 22.711 1.00 0.00 O ATOM 1443 CB SER A 96 9.517 9.620 23.661 1.00 0.00 C ATOM 1444 OG SER A 96 9.855 8.429 24.322 1.00 0.00 O ATOM 0 H SER A 96 7.415 9.078 22.213 1.00 0.00 H new ATOM 0 HA SER A 96 7.909 9.685 25.051 1.00 0.00 H new ATOM 0 HB2 SER A 96 9.644 9.511 22.584 1.00 0.00 H new ATOM 0 HB3 SER A 96 10.170 10.434 23.978 1.00 0.00 H new ATOM 0 HG SER A 96 10.786 8.197 24.122 1.00 0.00 H new ATOM 1450 N LYS A 97 7.186 12.063 24.728 1.00 0.00 N ATOM 1451 CA LYS A 97 6.965 13.513 24.645 1.00 0.00 C ATOM 1452 C LYS A 97 8.262 14.306 24.789 1.00 0.00 C ATOM 1453 O LYS A 97 8.369 15.449 24.342 1.00 0.00 O ATOM 1454 CB LYS A 97 5.974 13.967 25.713 1.00 0.00 C ATOM 1455 CG LYS A 97 6.594 14.468 27.015 1.00 0.00 C ATOM 1456 CD LYS A 97 5.576 14.539 28.139 1.00 0.00 C ATOM 1457 CE LYS A 97 5.426 13.159 28.797 1.00 0.00 C ATOM 1458 NZ LYS A 97 4.157 13.088 29.561 1.00 0.00 N ATOM 0 H LYS A 97 6.833 11.631 25.582 1.00 0.00 H new ATOM 0 HA LYS A 97 6.557 13.711 23.654 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.356 14.762 25.296 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.309 13.135 25.944 1.00 0.00 H new ATOM 0 HG2 LYS A 97 7.410 13.807 27.306 1.00 0.00 H new ATOM 0 HG3 LYS A 97 7.026 15.456 26.854 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.891 15.273 28.881 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.614 14.872 27.750 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.443 12.381 28.034 1.00 0.00 H new ATOM 0 HE3 LYS A 97 6.269 12.972 29.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.068 12.150 30.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.156 13.819 30.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.355 13.246 28.918 1.00 0.00 H new ATOM 1472 N LYS A 98 9.197 13.781 25.586 1.00 0.00 N ATOM 1473 CA LYS A 98 10.460 14.469 25.822 1.00 0.00 C ATOM 1474 C LYS A 98 11.608 13.476 25.574 1.00 0.00 C ATOM 1475 O LYS A 98 11.716 12.507 26.314 1.00 0.00 O ATOM 1476 CB LYS A 98 10.497 15.179 27.173 1.00 0.00 C ATOM 1477 CG LYS A 98 11.464 16.376 27.074 1.00 0.00 C ATOM 1478 CD LYS A 98 12.021 16.697 28.455 1.00 0.00 C ATOM 1479 CE LYS A 98 13.050 17.829 28.382 1.00 0.00 C ATOM 1480 NZ LYS A 98 13.785 17.951 29.670 1.00 0.00 N ATOM 0 H LYS A 98 9.101 12.890 26.073 1.00 0.00 H new ATOM 0 HA LYS A 98 10.581 15.290 25.115 1.00 0.00 H new ATOM 0 HB2 LYS A 98 9.499 15.521 27.448 1.00 0.00 H new ATOM 0 HB3 LYS A 98 10.825 14.491 27.953 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.278 16.143 26.387 1.00 0.00 H new ATOM 0 HG3 LYS A 98 10.944 17.244 26.669 1.00 0.00 H new ATOM 0 HD2 LYS A 98 11.207 16.983 29.122 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.484 15.807 28.880 1.00 0.00 H new ATOM 0 HE2 LYS A 98 13.754 17.637 27.572 1.00 0.00 H new ATOM 0 HE3 LYS A 98 12.549 18.769 28.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 14.478 18.723 29.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 13.112 18.156 30.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 14.279 17.059 29.873 1.00 0.00 H new ATOM 1494 N PRO A 99 12.429 13.710 24.536 1.00 0.00 N ATOM 1495 CA PRO A 99 12.246 14.809 23.582 1.00 0.00 C ATOM 1496 C PRO A 99 11.046 14.550 22.668 1.00 0.00 C ATOM 1497 O PRO A 99 10.501 13.457 22.678 1.00 0.00 O ATOM 1498 CB PRO A 99 13.540 14.918 22.795 1.00 0.00 C ATOM 1499 CG PRO A 99 14.251 13.585 23.013 1.00 0.00 C ATOM 1500 CD PRO A 99 13.521 12.837 24.132 1.00 0.00 C ATOM 0 HA PRO A 99 12.033 15.746 24.097 1.00 0.00 H new ATOM 0 HB2 PRO A 99 13.344 15.092 21.737 1.00 0.00 H new ATOM 0 HB3 PRO A 99 14.147 15.751 23.148 1.00 0.00 H new ATOM 0 HG2 PRO A 99 14.247 12.996 22.096 1.00 0.00 H new ATOM 0 HG3 PRO A 99 15.294 13.749 23.282 1.00 0.00 H new ATOM 0 HD2 PRO A 99 13.146 11.876 23.781 1.00 0.00 H new ATOM 0 HD3 PRO A 99 14.190 12.632 24.968 1.00 0.00 H new ATOM 1508 N LYS A 100 10.686 15.515 21.833 1.00 0.00 N ATOM 1509 CA LYS A 100 9.563 15.427 20.892 1.00 0.00 C ATOM 1510 C LYS A 100 9.996 15.917 19.540 1.00 0.00 C ATOM 1511 O LYS A 100 10.628 16.958 19.450 1.00 0.00 O ATOM 1512 CB LYS A 100 8.374 16.253 21.417 1.00 0.00 C ATOM 1513 CG LYS A 100 7.180 15.321 21.678 1.00 0.00 C ATOM 1514 CD LYS A 100 6.185 15.369 20.525 1.00 0.00 C ATOM 1515 CE LYS A 100 4.869 15.953 21.056 1.00 0.00 C ATOM 1516 NZ LYS A 100 4.085 16.497 19.940 1.00 0.00 N ATOM 0 H LYS A 100 11.177 16.408 21.785 1.00 0.00 H new ATOM 0 HA LYS A 100 9.246 14.388 20.800 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.653 16.770 22.335 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.100 17.018 20.691 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.535 14.299 21.814 1.00 0.00 H new ATOM 0 HG3 LYS A 100 6.683 15.612 22.604 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.573 15.983 19.712 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.022 14.370 20.120 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.299 15.180 21.572 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.075 16.737 21.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.194 16.892 20.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 4.629 17.246 19.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 3.876 15.738 19.260 1.00 0.00 H new ATOM 1530 N GLU A 101 9.751 15.114 18.520 1.00 0.00 N ATOM 1531 CA GLU A 101 10.142 15.435 17.149 1.00 0.00 C ATOM 1532 C GLU A 101 8.907 15.985 16.460 1.00 0.00 C ATOM 1533 O GLU A 101 7.796 15.464 16.662 1.00 0.00 O ATOM 1534 CB GLU A 101 10.733 14.203 16.455 1.00 0.00 C ATOM 1535 CG GLU A 101 11.118 14.532 15.007 1.00 0.00 C ATOM 1536 CD GLU A 101 12.031 13.438 14.436 1.00 0.00 C ATOM 1537 OE1 GLU A 101 13.045 13.164 15.114 1.00 0.00 O ATOM 1538 OE2 GLU A 101 11.640 12.780 13.443 1.00 0.00 O ATOM 0 H GLU A 101 9.274 14.217 18.614 1.00 0.00 H new ATOM 0 HA GLU A 101 10.932 16.185 17.114 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.611 13.858 17.001 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.008 13.389 16.468 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.220 14.621 14.396 1.00 0.00 H new ATOM 0 HG3 GLU A 101 11.626 15.496 14.969 1.00 0.00 H new ATOM 1545 N ASN A 102 9.098 17.095 15.740 1.00 0.00 N ATOM 1546 CA ASN A 102 8.043 17.732 14.963 1.00 0.00 C ATOM 1547 C ASN A 102 7.225 16.682 14.200 1.00 0.00 C ATOM 1548 O ASN A 102 7.826 15.815 13.581 1.00 0.00 O ATOM 1549 CB ASN A 102 8.646 18.732 13.975 1.00 0.00 C ATOM 1550 CG ASN A 102 7.545 19.552 13.342 1.00 0.00 C ATOM 1551 OD1 ASN A 102 7.064 20.526 13.890 1.00 0.00 O ATOM 1552 ND2 ASN A 102 6.998 19.109 12.238 1.00 0.00 N ATOM 0 H ASN A 102 9.996 17.575 15.683 1.00 0.00 H new ATOM 0 HA ASN A 102 7.383 18.260 15.651 1.00 0.00 H new ATOM 0 HB2 ASN A 102 9.350 19.386 14.489 1.00 0.00 H new ATOM 0 HB3 ASN A 102 9.207 18.203 13.205 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.181 19.579 11.849 1.00 0.00 H new ATOM 0 HD22 ASN A 102 7.389 18.294 11.766 1.00 0.00 H new ATOM 1559 N PRO A 103 5.882 16.721 14.239 1.00 0.00 N ATOM 1560 CA PRO A 103 5.044 15.767 13.523 1.00 0.00 C ATOM 1561 C PRO A 103 5.142 15.959 11.994 1.00 0.00 C ATOM 1562 O PRO A 103 6.027 16.622 11.456 1.00 0.00 O ATOM 1563 CB PRO A 103 3.636 15.989 14.104 1.00 0.00 C ATOM 1564 CG PRO A 103 3.644 17.370 14.748 1.00 0.00 C ATOM 1565 CD PRO A 103 5.102 17.762 14.873 1.00 0.00 C ATOM 0 HA PRO A 103 5.354 14.731 13.659 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.880 15.931 13.321 1.00 0.00 H new ATOM 0 HB3 PRO A 103 3.394 15.220 14.838 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.097 18.089 14.137 1.00 0.00 H new ATOM 0 HG3 PRO A 103 3.160 17.348 15.725 1.00 0.00 H new ATOM 0 HD2 PRO A 103 5.284 18.724 14.394 1.00 0.00 H new ATOM 0 HD3 PRO A 103 5.383 17.869 15.921 1.00 0.00 H new ATOM 1573 N GLY A 104 4.187 15.379 11.277 1.00 0.00 N ATOM 1574 CA GLY A 104 4.099 15.526 9.833 1.00 0.00 C ATOM 1575 C GLY A 104 2.748 16.082 9.397 1.00 0.00 C ATOM 1576 O GLY A 104 1.783 16.046 10.170 1.00 0.00 O ATOM 0 H GLY A 104 3.454 14.795 11.681 1.00 0.00 H new ATOM 0 HA2 GLY A 104 4.892 16.188 9.487 1.00 0.00 H new ATOM 0 HA3 GLY A 104 4.263 14.558 9.359 1.00 0.00 H new ATOM 1580 N PRO A 105 2.667 16.620 8.176 1.00 0.00 N ATOM 1581 CA PRO A 105 1.415 17.121 7.646 1.00 0.00 C ATOM 1582 C PRO A 105 0.513 15.949 7.284 1.00 0.00 C ATOM 1583 O PRO A 105 -0.675 16.040 7.578 1.00 0.00 O ATOM 1584 CB PRO A 105 1.811 17.968 6.426 1.00 0.00 C ATOM 1585 CG PRO A 105 3.234 17.556 6.055 1.00 0.00 C ATOM 1586 CD PRO A 105 3.757 16.738 7.229 1.00 0.00 C ATOM 0 HA PRO A 105 0.850 17.724 8.357 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.128 17.794 5.595 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.764 19.031 6.660 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.243 16.969 5.137 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.860 18.431 5.880 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.089 15.754 6.897 1.00 0.00 H new ATOM 0 HD3 PRO A 105 4.617 17.226 7.688 1.00 0.00 H new ATOM 1594 N ALA A 106 1.055 14.904 6.649 1.00 0.00 N ATOM 1595 CA ALA A 106 0.298 13.734 6.256 1.00 0.00 C ATOM 1596 C ALA A 106 0.107 12.797 7.429 1.00 0.00 C ATOM 1597 O ALA A 106 1.045 12.521 8.185 1.00 0.00 O ATOM 1598 CB ALA A 106 1.024 13.030 5.140 1.00 0.00 C ATOM 0 H ALA A 106 2.042 14.857 6.396 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.688 14.047 5.913 1.00 0.00 H new ATOM 0 HB1 ALA A 106 0.460 12.147 4.839 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.125 13.704 4.289 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.014 12.728 5.483 1.00 0.00 H new ATOM 1604 N ARG A 107 -1.127 12.329 7.580 1.00 0.00 N ATOM 1605 CA ARG A 107 -1.503 11.413 8.642 1.00 0.00 C ATOM 1606 C ARG A 107 -2.458 10.374 8.129 1.00 0.00 C ATOM 1607 O ARG A 107 -3.207 10.673 7.207 1.00 0.00 O ATOM 1608 CB ARG A 107 -2.129 12.200 9.799 1.00 0.00 C ATOM 1609 CG ARG A 107 -1.118 13.131 10.467 1.00 0.00 C ATOM 1610 CD ARG A 107 -1.238 13.156 11.986 1.00 0.00 C ATOM 1611 NE ARG A 107 -1.724 14.447 12.407 1.00 0.00 N ATOM 1612 CZ ARG A 107 -0.989 15.535 12.503 1.00 0.00 C ATOM 1613 NH1 ARG A 107 0.313 15.504 12.386 1.00 0.00 N ATOM 1614 NH2 ARG A 107 -1.556 16.668 12.781 1.00 0.00 N ATOM 0 H ARG A 107 -1.899 12.579 6.962 1.00 0.00 H new ATOM 0 HA ARG A 107 -0.612 10.900 9.003 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -2.970 12.785 9.427 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -2.526 11.504 10.538 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -0.110 12.819 10.194 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -1.254 14.141 10.081 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -1.918 12.372 12.321 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -0.269 12.954 12.442 1.00 0.00 H new ATOM 0 HE ARG A 107 -2.712 14.523 12.649 1.00 0.00 H new ATOM 0 HH11 ARG A 107 0.789 14.618 12.215 1.00 0.00 H new ATOM 0 HH12 ARG A 107 0.853 16.366 12.466 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -2.565 16.712 12.924 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -0.993 17.515 12.857 1.00 0.00 H new ATOM 1628 N VAL A 108 -2.427 9.186 8.717 1.00 0.00 N ATOM 1629 CA VAL A 108 -3.330 8.083 8.357 1.00 0.00 C ATOM 1630 C VAL A 108 -4.613 8.129 9.166 1.00 0.00 C ATOM 1631 O VAL A 108 -4.585 8.112 10.388 1.00 0.00 O ATOM 1632 CB VAL A 108 -2.634 6.745 8.568 1.00 0.00 C ATOM 1633 CG1 VAL A 108 -1.981 6.642 9.946 1.00 0.00 C ATOM 1634 CG2 VAL A 108 -3.586 5.568 8.318 1.00 0.00 C ATOM 0 H VAL A 108 -1.773 8.951 9.463 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.589 8.196 7.304 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.834 6.691 7.830 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.498 5.670 10.048 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.236 7.431 10.056 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.742 6.752 10.718 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.055 4.630 8.478 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.429 5.629 9.006 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.952 5.607 7.292 1.00 0.00 H new ATOM 1644 N ILE A 109 -5.743 8.276 8.498 1.00 0.00 N ATOM 1645 CA ILE A 109 -7.023 8.497 9.169 1.00 0.00 C ATOM 1646 C ILE A 109 -7.792 7.212 9.030 1.00 0.00 C ATOM 1647 O ILE A 109 -8.053 6.741 7.917 1.00 0.00 O ATOM 1648 CB ILE A 109 -7.726 9.727 8.591 1.00 0.00 C ATOM 1649 CG1 ILE A 109 -7.215 11.035 9.207 1.00 0.00 C ATOM 1650 CG2 ILE A 109 -9.209 9.648 8.871 1.00 0.00 C ATOM 1651 CD1 ILE A 109 -5.701 11.118 9.169 1.00 0.00 C ATOM 0 H ILE A 109 -5.806 8.247 7.480 1.00 0.00 H new ATOM 0 HA ILE A 109 -6.914 8.727 10.229 1.00 0.00 H new ATOM 0 HB ILE A 109 -7.517 9.731 7.521 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -7.640 11.882 8.668 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -7.558 11.110 10.239 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -9.705 10.526 8.457 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -9.619 8.749 8.410 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.375 9.611 9.948 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -5.377 12.059 9.614 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -5.277 10.286 9.730 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -5.360 11.069 8.135 1.00 0.00 H new ATOM 1663 N TYR A 110 -8.092 6.619 10.169 1.00 0.00 N ATOM 1664 CA TYR A 110 -8.793 5.365 10.201 1.00 0.00 C ATOM 1665 C TYR A 110 -9.827 5.432 11.314 1.00 0.00 C ATOM 1666 O TYR A 110 -9.682 6.145 12.312 1.00 0.00 O ATOM 1667 CB TYR A 110 -7.745 4.265 10.381 1.00 0.00 C ATOM 1668 CG TYR A 110 -7.059 4.302 11.740 1.00 0.00 C ATOM 1669 CD1 TYR A 110 -7.778 3.989 12.908 1.00 0.00 C ATOM 1670 CD2 TYR A 110 -5.704 4.650 11.849 1.00 0.00 C ATOM 1671 CE1 TYR A 110 -7.195 3.975 14.177 1.00 0.00 C ATOM 1672 CE2 TYR A 110 -5.088 4.599 13.115 1.00 0.00 C ATOM 1673 CZ TYR A 110 -5.815 4.199 14.257 1.00 0.00 C ATOM 1674 OH TYR A 110 -5.150 4.028 15.430 1.00 0.00 O ATOM 0 H TYR A 110 -7.856 6.995 11.087 1.00 0.00 H new ATOM 0 HA TYR A 110 -9.339 5.146 9.284 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -8.222 3.294 10.249 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -6.992 4.359 9.599 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -8.827 3.749 12.819 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -5.143 4.952 10.977 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -7.786 3.798 15.063 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -4.047 4.869 13.213 1.00 0.00 H new ATOM 0 HH TYR A 110 -4.199 4.227 15.299 1.00 0.00 H new ATOM 1684 N THR A 111 -10.898 4.680 11.122 1.00 0.00 N ATOM 1685 CA THR A 111 -11.963 4.598 12.118 1.00 0.00 C ATOM 1686 C THR A 111 -11.604 3.567 13.165 1.00 0.00 C ATOM 1687 O THR A 111 -10.788 2.681 12.921 1.00 0.00 O ATOM 1688 CB THR A 111 -13.307 4.276 11.433 1.00 0.00 C ATOM 1689 OG1 THR A 111 -13.455 2.910 11.116 1.00 0.00 O ATOM 1690 CG2 THR A 111 -13.473 4.995 10.088 1.00 0.00 C ATOM 0 H THR A 111 -11.057 4.116 10.287 1.00 0.00 H new ATOM 0 HA THR A 111 -12.073 5.560 12.618 1.00 0.00 H new ATOM 0 HB THR A 111 -14.043 4.602 12.168 1.00 0.00 H new ATOM 0 HG1 THR A 111 -14.324 2.766 10.687 1.00 0.00 H new ATOM 0 HG21 THR A 111 -14.436 4.732 9.651 1.00 0.00 H new ATOM 0 HG22 THR A 111 -13.428 6.073 10.244 1.00 0.00 H new ATOM 0 HG23 THR A 111 -12.673 4.692 9.412 1.00 0.00 H new ATOM 1698 N TYR A 112 -12.242 3.639 14.320 1.00 0.00 N ATOM 1699 CA TYR A 112 -11.980 2.677 15.379 1.00 0.00 C ATOM 1700 C TYR A 112 -13.173 1.692 15.532 1.00 0.00 C ATOM 1701 O TYR A 112 -14.328 2.025 15.240 1.00 0.00 O ATOM 1702 CB TYR A 112 -11.560 3.439 16.651 1.00 0.00 C ATOM 1703 CG TYR A 112 -11.749 2.712 17.982 1.00 0.00 C ATOM 1704 CD1 TYR A 112 -13.032 2.327 18.413 1.00 0.00 C ATOM 1705 CD2 TYR A 112 -10.645 2.351 18.765 1.00 0.00 C ATOM 1706 CE1 TYR A 112 -13.242 1.629 19.606 1.00 0.00 C ATOM 1707 CE2 TYR A 112 -10.834 1.618 19.955 1.00 0.00 C ATOM 1708 CZ TYR A 112 -12.131 1.283 20.390 1.00 0.00 C ATOM 1709 OH TYR A 112 -12.312 0.659 21.586 1.00 0.00 O ATOM 0 H TYR A 112 -12.940 4.347 14.549 1.00 0.00 H new ATOM 0 HA TYR A 112 -11.140 2.027 15.135 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -10.507 3.706 16.556 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -12.123 4.372 16.690 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -13.885 2.580 17.800 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -9.649 2.634 18.457 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -14.241 1.361 19.918 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -9.978 1.311 20.537 1.00 0.00 H new ATOM 0 HH TYR A 112 -11.441 0.489 22.001 1.00 0.00 H new ATOM 1719 N PRO A 113 -12.910 0.486 16.077 1.00 0.00 N ATOM 1720 CA PRO A 113 -11.564 -0.018 16.367 1.00 0.00 C ATOM 1721 C PRO A 113 -10.867 -0.428 15.096 1.00 0.00 C ATOM 1722 O PRO A 113 -9.712 -0.053 14.903 1.00 0.00 O ATOM 1723 CB PRO A 113 -11.709 -1.202 17.311 1.00 0.00 C ATOM 1724 CG PRO A 113 -13.178 -1.606 17.213 1.00 0.00 C ATOM 1725 CD PRO A 113 -13.924 -0.449 16.526 1.00 0.00 C ATOM 0 HA PRO A 113 -10.958 0.760 16.830 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -11.053 -2.022 17.019 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -11.442 -0.928 18.332 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -13.286 -2.527 16.640 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -13.592 -1.796 18.203 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -14.515 -0.813 15.686 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -14.616 0.032 17.218 1.00 0.00 H new ATOM 1733 N ASN A 114 -11.556 -1.216 14.266 1.00 0.00 N ATOM 1734 CA ASN A 114 -11.070 -1.669 12.978 1.00 0.00 C ATOM 1735 C ASN A 114 -10.538 -0.481 12.208 1.00 0.00 C ATOM 1736 O ASN A 114 -11.357 0.329 11.794 1.00 0.00 O ATOM 1737 CB ASN A 114 -12.225 -2.297 12.165 1.00 0.00 C ATOM 1738 CG ASN A 114 -11.721 -3.449 11.344 1.00 0.00 C ATOM 1739 OD1 ASN A 114 -10.934 -4.261 11.791 1.00 0.00 O ATOM 1740 ND2 ASN A 114 -12.113 -3.510 10.102 1.00 0.00 N ATOM 0 H ASN A 114 -12.491 -1.561 14.485 1.00 0.00 H new ATOM 0 HA ASN A 114 -10.287 -2.411 13.135 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -13.009 -2.639 12.840 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -12.670 -1.545 11.514 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -11.759 -4.246 9.491 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -12.774 -2.822 9.741 1.00 0.00 H new ATOM 1747 N LYS A 115 -9.213 -0.373 12.059 1.00 0.00 N ATOM 1748 CA LYS A 115 -8.518 0.719 11.388 1.00 0.00 C ATOM 1749 C LYS A 115 -8.916 0.710 9.934 1.00 0.00 C ATOM 1750 O LYS A 115 -8.187 0.164 9.110 1.00 0.00 O ATOM 1751 CB LYS A 115 -6.989 0.575 11.558 1.00 0.00 C ATOM 1752 CG LYS A 115 -6.527 1.233 12.843 1.00 0.00 C ATOM 1753 CD LYS A 115 -5.590 0.443 13.709 1.00 0.00 C ATOM 1754 CE LYS A 115 -6.441 -0.581 14.459 1.00 0.00 C ATOM 1755 NZ LYS A 115 -6.285 -1.926 13.878 1.00 0.00 N ATOM 0 H LYS A 115 -8.572 -1.079 12.421 1.00 0.00 H new ATOM 0 HA LYS A 115 -8.798 1.674 11.832 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -6.717 -0.481 11.566 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -6.480 1.029 10.708 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.041 2.174 12.587 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -7.409 1.480 13.434 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -4.831 -0.053 13.105 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.066 1.096 14.407 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -6.152 -0.599 15.510 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -7.489 -0.285 14.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -6.498 -2.643 14.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -6.939 -2.036 13.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -5.307 -2.049 13.546 1.00 0.00 H new ATOM 1769 N VAL A 116 -10.106 1.232 9.646 1.00 0.00 N ATOM 1770 CA VAL A 116 -10.696 1.255 8.304 1.00 0.00 C ATOM 1771 C VAL A 116 -10.007 2.421 7.614 1.00 0.00 C ATOM 1772 O VAL A 116 -10.548 3.524 7.533 1.00 0.00 O ATOM 1773 CB VAL A 116 -12.228 1.418 8.358 1.00 0.00 C ATOM 1774 CG1 VAL A 116 -12.811 1.871 7.011 1.00 0.00 C ATOM 1775 CG2 VAL A 116 -12.915 0.135 8.871 1.00 0.00 C ATOM 0 H VAL A 116 -10.703 1.661 10.353 1.00 0.00 H new ATOM 0 HA VAL A 116 -10.546 0.321 7.763 1.00 0.00 H new ATOM 0 HB VAL A 116 -12.437 2.212 9.075 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -13.893 1.972 7.098 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -12.378 2.832 6.732 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -12.576 1.131 6.246 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -13.994 0.285 8.896 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -12.680 -0.695 8.205 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -12.557 -0.093 9.875 1.00 0.00 H new ATOM 1785 N PHE A 117 -8.729 2.211 7.294 1.00 0.00 N ATOM 1786 CA PHE A 117 -7.873 3.143 6.590 1.00 0.00 C ATOM 1787 C PHE A 117 -8.675 3.810 5.472 1.00 0.00 C ATOM 1788 O PHE A 117 -9.031 3.175 4.477 1.00 0.00 O ATOM 1789 CB PHE A 117 -6.677 2.355 6.059 1.00 0.00 C ATOM 1790 CG PHE A 117 -5.907 3.126 5.026 1.00 0.00 C ATOM 1791 CD1 PHE A 117 -5.043 4.139 5.454 1.00 0.00 C ATOM 1792 CD2 PHE A 117 -6.137 2.882 3.661 1.00 0.00 C ATOM 1793 CE1 PHE A 117 -4.376 4.926 4.517 1.00 0.00 C ATOM 1794 CE2 PHE A 117 -5.467 3.650 2.712 1.00 0.00 C ATOM 1795 CZ PHE A 117 -4.624 4.683 3.160 1.00 0.00 C ATOM 0 H PHE A 117 -8.249 1.344 7.534 1.00 0.00 H new ATOM 0 HA PHE A 117 -7.508 3.937 7.241 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -6.016 2.099 6.887 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -7.025 1.417 5.626 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -4.893 4.311 6.510 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -6.825 2.109 3.352 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -3.689 5.699 4.828 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -5.592 3.457 1.657 1.00 0.00 H new ATOM 0 HZ PHE A 117 -4.147 5.316 2.426 1.00 0.00 H new ATOM 1805 N CYS A 118 -9.045 5.066 5.688 1.00 0.00 N ATOM 1806 CA CYS A 118 -9.815 5.788 4.705 1.00 0.00 C ATOM 1807 C CYS A 118 -8.873 6.356 3.648 1.00 0.00 C ATOM 1808 O CYS A 118 -9.150 6.355 2.447 1.00 0.00 O ATOM 1809 CB CYS A 118 -10.626 6.871 5.418 1.00 0.00 C ATOM 1810 SG CYS A 118 -12.354 6.595 5.012 1.00 0.00 S ATOM 0 H CYS A 118 -8.822 5.595 6.531 1.00 0.00 H new ATOM 0 HA CYS A 118 -10.517 5.132 4.191 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -10.471 6.820 6.496 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -10.309 7.863 5.097 1.00 0.00 H new ATOM 1815 N GLY A 119 -7.734 6.853 4.115 1.00 0.00 N ATOM 1816 CA GLY A 119 -6.721 7.429 3.277 1.00 0.00 C ATOM 1817 C GLY A 119 -5.783 8.264 4.110 1.00 0.00 C ATOM 1818 O GLY A 119 -5.484 7.946 5.260 1.00 0.00 O ATOM 0 H GLY A 119 -7.496 6.861 5.107 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -6.166 6.641 2.768 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -7.182 8.045 2.505 1.00 0.00 H new ATOM 1822 N ILE A 120 -5.252 9.314 3.510 1.00 0.00 N ATOM 1823 CA ILE A 120 -4.247 10.136 4.179 1.00 0.00 C ATOM 1824 C ILE A 120 -4.705 11.547 4.050 1.00 0.00 C ATOM 1825 O ILE A 120 -5.258 11.885 3.012 1.00 0.00 O ATOM 1826 CB ILE A 120 -2.870 9.959 3.550 1.00 0.00 C ATOM 1827 CG1 ILE A 120 -2.522 8.481 3.352 1.00 0.00 C ATOM 1828 CG2 ILE A 120 -1.785 10.698 4.370 1.00 0.00 C ATOM 1829 CD1 ILE A 120 -1.628 7.861 4.379 1.00 0.00 C ATOM 0 H ILE A 120 -5.494 9.620 2.568 1.00 0.00 H new ATOM 0 HA ILE A 120 -4.146 9.843 5.224 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.900 10.412 2.559 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -3.452 7.913 3.322 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -2.049 8.370 2.376 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -0.813 10.555 3.899 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -2.018 11.762 4.406 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -1.759 10.298 5.384 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -1.456 6.814 4.128 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -0.675 8.390 4.399 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -2.100 7.926 5.359 1.00 0.00 H new ATOM 1841 N ILE A 121 -4.516 12.351 5.070 1.00 0.00 N ATOM 1842 CA ILE A 121 -5.013 13.724 5.086 1.00 0.00 C ATOM 1843 C ILE A 121 -3.855 14.625 5.437 1.00 0.00 C ATOM 1844 O ILE A 121 -2.939 14.182 6.129 1.00 0.00 O ATOM 1845 CB ILE A 121 -6.177 13.895 6.090 1.00 0.00 C ATOM 1846 CG1 ILE A 121 -5.646 14.095 7.527 1.00 0.00 C ATOM 1847 CG2 ILE A 121 -7.169 12.707 6.013 1.00 0.00 C ATOM 1848 CD1 ILE A 121 -6.758 14.412 8.520 1.00 0.00 C ATOM 0 H ILE A 121 -4.015 12.080 5.916 1.00 0.00 H new ATOM 0 HA ILE A 121 -5.413 13.986 4.106 1.00 0.00 H new ATOM 0 HB ILE A 121 -6.726 14.795 5.812 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.124 13.193 7.847 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.917 14.905 7.532 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -7.975 12.859 6.731 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -7.586 12.646 5.008 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -6.645 11.780 6.246 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -6.331 14.543 9.514 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -7.264 15.329 8.219 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -7.475 13.591 8.538 1.00 0.00 H new ATOM 1860 N ALA A 122 -3.904 15.885 5.031 1.00 0.00 N ATOM 1861 CA ALA A 122 -2.863 16.859 5.328 1.00 0.00 C ATOM 1862 C ALA A 122 -3.285 18.222 4.805 1.00 0.00 C ATOM 1863 O ALA A 122 -4.174 18.338 3.968 1.00 0.00 O ATOM 1864 CB ALA A 122 -1.561 16.462 4.614 1.00 0.00 C ATOM 0 H ALA A 122 -4.675 16.264 4.481 1.00 0.00 H new ATOM 0 HA ALA A 122 -2.708 16.891 6.406 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -0.785 17.194 4.839 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -1.243 15.478 4.958 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -1.731 16.433 3.538 1.00 0.00 H new ATOM 2011 N LYS A 132 -7.415 18.278 4.147 1.00 0.00 N ATOM 2012 CA LYS A 132 -7.894 17.665 2.903 1.00 0.00 C ATOM 2013 C LYS A 132 -7.279 16.298 2.760 1.00 0.00 C ATOM 2014 O LYS A 132 -6.359 15.982 3.508 1.00 0.00 O ATOM 2015 CB LYS A 132 -7.572 18.561 1.708 1.00 0.00 C ATOM 2016 CG LYS A 132 -6.149 19.141 1.710 1.00 0.00 C ATOM 2017 CD LYS A 132 -6.049 20.303 0.729 1.00 0.00 C ATOM 2018 CE LYS A 132 -5.851 19.767 -0.695 1.00 0.00 C ATOM 2019 NZ LYS A 132 -6.971 20.148 -1.566 1.00 0.00 N ATOM 0 HA LYS A 132 -8.978 17.555 2.936 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -7.716 17.988 0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -8.286 19.384 1.685 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -5.889 19.480 2.713 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -5.433 18.365 1.439 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -6.953 20.909 0.776 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -5.216 20.951 1.002 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -4.919 20.155 -1.106 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -5.760 18.681 -0.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -6.810 19.772 -2.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -7.856 19.757 -1.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -7.041 21.185 -1.609 1.00 0.00 H new ATOM 2033 N LEU A 133 -7.798 15.505 1.831 1.00 0.00 N ATOM 2034 CA LEU A 133 -7.274 14.170 1.571 1.00 0.00 C ATOM 2035 C LEU A 133 -6.075 14.292 0.627 1.00 0.00 C ATOM 2036 O LEU A 133 -6.065 15.160 -0.251 1.00 0.00 O ATOM 2037 CB LEU A 133 -8.408 13.297 1.003 1.00 0.00 C ATOM 2038 CG LEU A 133 -8.178 11.788 1.182 1.00 0.00 C ATOM 2039 CD1 LEU A 133 -8.321 11.361 2.640 1.00 0.00 C ATOM 2040 CD2 LEU A 133 -9.222 11.011 0.388 1.00 0.00 C ATOM 0 H LEU A 133 -8.588 15.766 1.241 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.921 13.686 2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -9.344 13.573 1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -8.524 13.514 -0.059 1.00 0.00 H new ATOM 0 HG LEU A 133 -7.166 11.578 0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -8.151 10.288 2.723 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -7.589 11.893 3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -9.325 11.597 2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -9.056 9.942 0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -10.218 11.269 0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -9.139 11.266 -0.669 1.00 0.00 H new ATOM 2052 N CYS A 134 -5.074 13.442 0.836 1.00 0.00 N ATOM 2053 CA CYS A 134 -3.920 13.307 -0.036 1.00 0.00 C ATOM 2054 C CYS A 134 -4.324 12.767 -1.405 1.00 0.00 C ATOM 2055 O CYS A 134 -5.491 12.510 -1.705 1.00 0.00 O ATOM 2056 CB CYS A 134 -2.902 12.377 0.638 1.00 0.00 C ATOM 2057 SG CYS A 134 -2.271 13.003 2.197 1.00 0.00 S ATOM 0 H CYS A 134 -5.046 12.813 1.639 1.00 0.00 H new ATOM 0 HA CYS A 134 -3.472 14.288 -0.197 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -3.368 11.406 0.809 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -2.066 12.214 -0.043 1.00 0.00 H new ATOM 2062 N SER A 135 -3.330 12.515 -2.235 1.00 0.00 N ATOM 2063 CA SER A 135 -3.562 12.037 -3.596 1.00 0.00 C ATOM 2064 C SER A 135 -2.655 10.845 -3.845 1.00 0.00 C ATOM 2065 O SER A 135 -1.461 10.990 -4.055 1.00 0.00 O ATOM 2066 CB SER A 135 -3.364 13.177 -4.588 1.00 0.00 C ATOM 2067 OG SER A 135 -2.143 13.862 -4.380 1.00 0.00 O ATOM 0 H SER A 135 -2.346 12.632 -1.994 1.00 0.00 H new ATOM 0 HA SER A 135 -4.590 11.700 -3.731 1.00 0.00 H new ATOM 0 HB2 SER A 135 -3.388 12.781 -5.603 1.00 0.00 H new ATOM 0 HB3 SER A 135 -4.192 13.880 -4.501 1.00 0.00 H new ATOM 0 HG SER A 135 -1.426 13.213 -4.222 1.00 0.00 H new ATOM 2073 N HIS A 136 -3.200 9.648 -3.663 1.00 0.00 N ATOM 2074 CA HIS A 136 -2.511 8.398 -4.010 1.00 0.00 C ATOM 2075 C HIS A 136 -2.957 7.830 -5.344 1.00 0.00 C ATOM 2076 O HIS A 136 -2.116 7.121 -5.930 1.00 0.00 O ATOM 2077 CB HIS A 136 -2.732 7.391 -2.901 1.00 0.00 C ATOM 2078 CG HIS A 136 -4.179 6.941 -2.777 1.00 0.00 C ATOM 2079 ND1 HIS A 136 -5.243 7.745 -2.436 1.00 0.00 N ATOM 2080 CD2 HIS A 136 -4.667 5.687 -3.020 1.00 0.00 C ATOM 2081 CE1 HIS A 136 -6.359 6.989 -2.448 1.00 0.00 C ATOM 2082 NE2 HIS A 136 -6.037 5.723 -2.792 1.00 0.00 N ATOM 2083 OXT HIS A 136 -4.162 8.007 -5.633 1.00 0.00 O ATOM 0 H HIS A 136 -4.132 9.510 -3.271 1.00 0.00 H new ATOM 0 HA HIS A 136 -1.449 8.618 -4.114 1.00 0.00 H new ATOM 0 HB2 HIS A 136 -2.102 6.520 -3.080 1.00 0.00 H new ATOM 0 HB3 HIS A 136 -2.412 7.827 -1.955 1.00 0.00 H new ATOM 0 HD2 HIS A 136 -4.093 4.827 -3.332 1.00 0.00 H new ATOM 0 HE1 HIS A 136 -7.354 7.340 -2.219 1.00 0.00 H new ATOM 0 HE2 HIS A 136 -6.682 4.937 -2.870 1.00 0.00 H new