USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=33 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 32 SER OG : rot -90:sc= 0.991 USER MOD Set 1.2: A 92 TYR OH : rot -165:sc= 0.868 USER MOD Set 2.1: A 26 SER OG : rot 44:sc= 0.85 USER MOD Set 2.2: A 73 ASN : amide:sc= -0.514 K(o=-0.83,f=-3) USER MOD Set 2.3: A 79 TYR OH : rot 91:sc= -1.17 USER MOD Set 3.1: A 18 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 22 HIS : no HE2:sc= -2.75 K(o=-2.7,f=-8.5!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 150:sc= -1.93 USER MOD Single : A 11 TYR OH : rot 180:sc= -0.0326 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN :FLIP amide:sc= -3.48 F(o=-5.8!,f=-3.5) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN :FLIP amide:sc= 0.0679 F(o=-0.53,f=0.068) USER MOD Single : A 20 SER OG : rot -46:sc= 1.26 USER MOD Single : A 21 HIS :FLIP no HD1:sc= -0.107 F(o=-0.72,f=-0.11) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 171:sc= 0.365 USER MOD Single : A 33 SER OG : rot 65:sc= 0.973 USER MOD Single : A 34 TYR OH : rot 180:sc=-0.00596 USER MOD Single : A 36 HIS : no HD1:sc= -7.78 K(o=-7.8,f=-10!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.015 USER MOD Single : A 40 ASN : amide:sc= -0.0159 K(o=-0.016,f=-7.3!) USER MOD Single : A 42 TYR OH : rot -131:sc=0.000866 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 12:sc= 0.262 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.068) USER MOD Single : A 60 SER OG : rot -35:sc= 0.464 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.11) USER MOD Single : A 69 SER OG : rot 180:sc= 0 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 :FLIP no HD1:sc= -2.78! C(o=-4!,f=-2.8!) USER MOD Single : A 85 THR OG1 : rot -120:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -2.86! C(o=-2.9!,f=-7.4!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 100 LYS NZ :NH3+ -167:sc=-0.000841 (180deg=-0.0391) USER MOD Single : A 102 ASN : amide:sc= -0.0433 K(o=-0.043,f=-3!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 165:sc=-0.00807 USER MOD Single : A 114 ASN : amide:sc= -0.856 K(o=-0.86,f=-3.7!) USER MOD Single : A 115 LYS NZ :NH3+ -139:sc= -0.523 (180deg=-1.55!) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 HIS : +bothHN:sc= -2.99 K(o=-3,f=-7.6!) USER MOD ----------------------------------------------------------------- ATOM 13 N VAL A 2 1.348 0.440 -3.475 1.00 0.00 N ATOM 14 CA VAL A 2 0.531 0.236 -4.672 1.00 0.00 C ATOM 15 C VAL A 2 1.164 -0.837 -5.558 1.00 0.00 C ATOM 16 O VAL A 2 2.358 -1.128 -5.441 1.00 0.00 O ATOM 17 CB VAL A 2 0.325 1.588 -5.374 1.00 0.00 C ATOM 18 CG1 VAL A 2 1.654 2.188 -5.825 1.00 0.00 C ATOM 19 CG2 VAL A 2 -0.631 1.471 -6.558 1.00 0.00 C ATOM 0 HA VAL A 2 -0.460 -0.139 -4.414 1.00 0.00 H new ATOM 0 HB VAL A 2 -0.126 2.258 -4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 2 1.473 3.143 -6.318 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.296 2.343 -4.958 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.143 1.507 -6.522 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -0.750 2.448 -7.027 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.226 0.766 -7.284 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -1.600 1.115 -6.209 1.00 0.00 H new ATOM 29 N THR A 3 0.372 -1.436 -6.429 1.00 0.00 N ATOM 30 CA THR A 3 0.824 -2.461 -7.357 1.00 0.00 C ATOM 31 C THR A 3 1.177 -1.850 -8.695 1.00 0.00 C ATOM 32 O THR A 3 0.304 -1.379 -9.409 1.00 0.00 O ATOM 33 CB THR A 3 -0.245 -3.527 -7.459 1.00 0.00 C ATOM 34 OG1 THR A 3 -0.155 -4.257 -6.267 1.00 0.00 O ATOM 35 CG2 THR A 3 0.026 -4.477 -8.592 1.00 0.00 C ATOM 0 H THR A 3 -0.621 -1.221 -6.514 1.00 0.00 H new ATOM 0 HA THR A 3 1.737 -2.931 -6.991 1.00 0.00 H new ATOM 0 HB THR A 3 -1.219 -3.068 -7.628 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.828 -4.969 -6.268 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.763 -5.228 -8.634 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.051 -3.925 -9.532 1.00 0.00 H new ATOM 0 HG23 THR A 3 0.986 -4.968 -8.434 1.00 0.00 H new ATOM 43 N TRP A 4 2.471 -1.787 -8.995 1.00 0.00 N ATOM 44 CA TRP A 4 2.990 -1.246 -10.235 1.00 0.00 C ATOM 45 C TRP A 4 2.827 -2.281 -11.327 1.00 0.00 C ATOM 46 O TRP A 4 3.026 -3.462 -11.093 1.00 0.00 O ATOM 47 CB TRP A 4 4.449 -0.838 -10.041 1.00 0.00 C ATOM 48 CG TRP A 4 4.663 0.219 -9.010 1.00 0.00 C ATOM 49 CD1 TRP A 4 4.323 0.139 -7.708 1.00 0.00 C ATOM 50 CD2 TRP A 4 5.253 1.536 -9.184 1.00 0.00 C ATOM 51 NE1 TRP A 4 4.551 1.355 -7.112 1.00 0.00 N ATOM 52 CE2 TRP A 4 5.200 2.228 -7.944 1.00 0.00 C ATOM 53 CE3 TRP A 4 5.810 2.224 -10.269 1.00 0.00 C ATOM 54 CZ2 TRP A 4 5.707 3.520 -7.760 1.00 0.00 C ATOM 55 CZ3 TRP A 4 6.314 3.524 -10.114 1.00 0.00 C ATOM 56 CH2 TRP A 4 6.276 4.173 -8.866 1.00 0.00 C ATOM 0 H TRP A 4 3.200 -2.120 -8.364 1.00 0.00 H new ATOM 0 HA TRP A 4 2.437 -0.354 -10.530 1.00 0.00 H new ATOM 0 HB2 TRP A 4 5.026 -1.720 -9.764 1.00 0.00 H new ATOM 0 HB3 TRP A 4 4.844 -0.484 -10.993 1.00 0.00 H new ATOM 0 HD1 TRP A 4 3.934 -0.739 -7.214 1.00 0.00 H new ATOM 0 HE1 TRP A 4 4.269 1.582 -6.158 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.852 1.748 -11.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 5.662 4.001 -6.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.738 4.035 -10.966 1.00 0.00 H new ATOM 0 HH2 TRP A 4 6.682 5.168 -8.759 1.00 0.00 H new ATOM 67 N THR A 5 2.482 -1.848 -12.525 1.00 0.00 N ATOM 68 CA THR A 5 2.295 -2.738 -13.659 1.00 0.00 C ATOM 69 C THR A 5 3.015 -2.187 -14.851 1.00 0.00 C ATOM 70 O THR A 5 2.969 -0.988 -15.123 1.00 0.00 O ATOM 71 CB THR A 5 0.807 -2.925 -13.936 1.00 0.00 C ATOM 72 OG1 THR A 5 0.486 -4.094 -13.279 1.00 0.00 O ATOM 73 CG2 THR A 5 0.395 -3.192 -15.376 1.00 0.00 C ATOM 0 H THR A 5 2.322 -0.864 -12.742 1.00 0.00 H new ATOM 0 HA THR A 5 2.714 -3.719 -13.433 1.00 0.00 H new ATOM 0 HB THR A 5 0.320 -1.996 -13.639 1.00 0.00 H new ATOM 0 HG1 THR A 5 -0.449 -4.059 -12.987 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.688 -3.305 -15.430 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.704 -2.356 -16.004 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.873 -4.106 -15.728 1.00 0.00 H new ATOM 81 N CYS A 6 3.668 -3.087 -15.572 1.00 0.00 N ATOM 82 CA CYS A 6 4.377 -2.733 -16.780 1.00 0.00 C ATOM 83 C CYS A 6 3.809 -3.544 -17.933 1.00 0.00 C ATOM 84 O CYS A 6 4.494 -4.422 -18.432 1.00 0.00 O ATOM 85 CB CYS A 6 5.874 -2.932 -16.557 1.00 0.00 C ATOM 86 SG CYS A 6 6.766 -1.366 -16.417 1.00 0.00 S ATOM 0 H CYS A 6 3.718 -4.077 -15.332 1.00 0.00 H new ATOM 0 HA CYS A 6 4.243 -1.683 -17.038 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.029 -3.517 -15.650 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.288 -3.510 -17.384 1.00 0.00 H new ATOM 91 N GLY A 7 2.530 -3.317 -18.270 1.00 0.00 N ATOM 92 CA GLY A 7 1.820 -3.985 -19.370 1.00 0.00 C ATOM 93 C GLY A 7 2.181 -5.462 -19.541 1.00 0.00 C ATOM 94 O GLY A 7 2.930 -5.821 -20.441 1.00 0.00 O ATOM 0 H GLY A 7 1.946 -2.646 -17.771 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.747 -3.902 -19.199 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.036 -3.459 -20.300 1.00 0.00 H new ATOM 98 N GLY A 8 1.679 -6.320 -18.657 1.00 0.00 N ATOM 99 CA GLY A 8 2.038 -7.735 -18.666 1.00 0.00 C ATOM 100 C GLY A 8 1.751 -8.380 -17.326 1.00 0.00 C ATOM 101 O GLY A 8 0.757 -9.081 -17.176 1.00 0.00 O ATOM 0 H GLY A 8 1.020 -6.059 -17.923 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.480 -8.250 -19.448 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.096 -7.843 -18.906 1.00 0.00 H new ATOM 105 N LEU A 9 2.596 -8.097 -16.337 1.00 0.00 N ATOM 106 CA LEU A 9 2.434 -8.587 -14.977 1.00 0.00 C ATOM 107 C LEU A 9 2.471 -7.425 -13.986 1.00 0.00 C ATOM 108 O LEU A 9 2.909 -6.309 -14.296 1.00 0.00 O ATOM 109 CB LEU A 9 3.504 -9.658 -14.695 1.00 0.00 C ATOM 110 CG LEU A 9 3.273 -10.984 -15.452 1.00 0.00 C ATOM 111 CD1 LEU A 9 4.535 -11.850 -15.368 1.00 0.00 C ATOM 112 CD2 LEU A 9 2.079 -11.754 -14.879 1.00 0.00 C ATOM 0 H LEU A 9 3.422 -7.513 -16.463 1.00 0.00 H new ATOM 0 HA LEU A 9 1.459 -9.059 -14.856 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.482 -9.261 -14.966 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.528 -9.861 -13.624 1.00 0.00 H new ATOM 0 HG LEU A 9 3.054 -10.747 -16.493 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.371 -12.786 -15.903 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.373 -11.317 -15.818 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.761 -12.064 -14.323 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.944 -12.682 -15.434 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.263 -11.983 -13.829 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.179 -11.146 -14.965 1.00 0.00 H new ATOM 124 N LEU A 10 1.927 -7.693 -12.803 1.00 0.00 N ATOM 125 CA LEU A 10 1.871 -6.733 -11.711 1.00 0.00 C ATOM 126 C LEU A 10 3.149 -6.839 -10.886 1.00 0.00 C ATOM 127 O LEU A 10 3.902 -7.787 -11.033 1.00 0.00 O ATOM 128 CB LEU A 10 0.590 -6.981 -10.886 1.00 0.00 C ATOM 129 CG LEU A 10 -0.635 -6.174 -11.367 1.00 0.00 C ATOM 130 CD1 LEU A 10 -1.087 -6.500 -12.799 1.00 0.00 C ATOM 131 CD2 LEU A 10 -1.837 -6.331 -10.427 1.00 0.00 C ATOM 0 H LEU A 10 1.508 -8.595 -12.575 1.00 0.00 H new ATOM 0 HA LEU A 10 1.817 -5.710 -12.084 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.348 -8.043 -10.921 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.788 -6.733 -9.843 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.285 -5.142 -11.358 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.952 -5.889 -13.055 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.274 -6.289 -13.494 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.355 -7.554 -12.865 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.674 -5.745 -10.806 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.123 -7.381 -10.375 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.569 -5.978 -9.431 1.00 0.00 H new ATOM 143 N TYR A 11 3.384 -5.875 -10.011 1.00 0.00 N ATOM 144 CA TYR A 11 4.603 -5.723 -9.239 1.00 0.00 C ATOM 145 C TYR A 11 4.281 -4.924 -7.987 1.00 0.00 C ATOM 146 O TYR A 11 4.352 -3.693 -7.968 1.00 0.00 O ATOM 147 CB TYR A 11 5.685 -5.027 -10.078 1.00 0.00 C ATOM 148 CG TYR A 11 6.127 -5.813 -11.292 1.00 0.00 C ATOM 149 CD1 TYR A 11 6.792 -7.042 -11.117 1.00 0.00 C ATOM 150 CD2 TYR A 11 5.813 -5.355 -12.587 1.00 0.00 C ATOM 151 CE1 TYR A 11 7.139 -7.819 -12.233 1.00 0.00 C ATOM 152 CE2 TYR A 11 6.118 -6.155 -13.702 1.00 0.00 C ATOM 153 CZ TYR A 11 6.776 -7.394 -13.526 1.00 0.00 C ATOM 154 OH TYR A 11 7.178 -8.127 -14.598 1.00 0.00 O ATOM 0 H TYR A 11 2.699 -5.146 -9.812 1.00 0.00 H new ATOM 0 HA TYR A 11 4.992 -6.701 -8.954 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.309 -4.057 -10.404 1.00 0.00 H new ATOM 0 HB3 TYR A 11 6.553 -4.837 -9.446 1.00 0.00 H new ATOM 0 HD1 TYR A 11 7.035 -7.387 -10.123 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.340 -4.394 -12.722 1.00 0.00 H new ATOM 0 HE1 TYR A 11 7.684 -8.742 -12.101 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.849 -5.823 -14.694 1.00 0.00 H new ATOM 0 HH TYR A 11 6.850 -7.709 -15.422 1.00 0.00 H new ATOM 164 N ASN A 12 3.856 -5.618 -6.932 1.00 0.00 N ATOM 165 CA ASN A 12 3.563 -4.964 -5.665 1.00 0.00 C ATOM 166 C ASN A 12 4.781 -4.149 -5.250 1.00 0.00 C ATOM 167 O ASN A 12 5.829 -4.749 -5.050 1.00 0.00 O ATOM 168 CB ASN A 12 3.199 -6.007 -4.595 1.00 0.00 C ATOM 169 CG ASN A 12 2.042 -5.521 -3.757 1.00 0.00 C ATOM 170 OD1 ASN A 12 0.902 -5.855 -3.978 1.00 0.00 O ATOM 171 ND2 ASN A 12 2.310 -4.724 -2.752 1.00 0.00 N ATOM 0 H ASN A 12 3.709 -6.627 -6.933 1.00 0.00 H new ATOM 0 HA ASN A 12 2.706 -4.300 -5.775 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.938 -6.951 -5.073 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.062 -6.200 -3.958 1.00 0.00 H new ATOM 0 HD21 ASN A 12 1.556 -4.385 -2.155 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.273 -4.443 -2.567 1.00 0.00 H new ATOM 178 N GLN A 13 4.672 -2.831 -5.082 1.00 0.00 N ATOM 179 CA GLN A 13 5.804 -2.004 -4.660 1.00 0.00 C ATOM 180 C GLN A 13 6.500 -2.587 -3.450 1.00 0.00 C ATOM 181 O GLN A 13 7.709 -2.677 -3.454 1.00 0.00 O ATOM 182 CB GLN A 13 5.337 -0.616 -4.268 1.00 0.00 C ATOM 183 CG GLN A 13 6.461 0.231 -3.612 1.00 0.00 C ATOM 184 CD GLN A 13 6.623 1.554 -4.303 1.00 0.00 C ATOM 185 OE1 GLN A 13 6.791 1.473 -5.582 1.00 0.00 O flip ATOM 186 NE2 GLN A 13 6.468 2.640 -3.791 1.00 0.00 N flip ATOM 0 H GLN A 13 3.808 -2.311 -5.232 1.00 0.00 H new ATOM 0 HA GLN A 13 6.488 -1.966 -5.508 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.967 -0.098 -5.153 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.500 -0.701 -3.575 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.229 0.394 -2.560 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.402 -0.318 -3.649 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.335 2.714 -2.782 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.471 3.481 -4.368 1.00 0.00 H new ATOM 195 N ASN A 14 5.740 -3.047 -2.459 1.00 0.00 N ATOM 196 CA ASN A 14 6.308 -3.701 -1.292 1.00 0.00 C ATOM 197 C ASN A 14 7.308 -4.777 -1.696 1.00 0.00 C ATOM 198 O ASN A 14 8.353 -4.882 -1.113 1.00 0.00 O ATOM 199 CB ASN A 14 5.203 -4.380 -0.487 1.00 0.00 C ATOM 200 CG ASN A 14 5.562 -4.481 0.980 1.00 0.00 C ATOM 201 OD1 ASN A 14 6.695 -4.661 1.370 1.00 0.00 O ATOM 202 ND2 ASN A 14 4.562 -4.439 1.818 1.00 0.00 N ATOM 0 H ASN A 14 4.723 -2.976 -2.445 1.00 0.00 H new ATOM 0 HA ASN A 14 6.809 -2.935 -0.701 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.275 -3.819 -0.597 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.022 -5.378 -0.887 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.729 -4.559 2.817 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.614 -4.287 1.474 1.00 0.00 H new ATOM 209 N LYS A 15 7.019 -5.586 -2.710 1.00 0.00 N ATOM 210 CA LYS A 15 7.975 -6.499 -3.323 1.00 0.00 C ATOM 211 C LYS A 15 9.013 -5.780 -4.163 1.00 0.00 C ATOM 212 O LYS A 15 10.174 -6.074 -3.994 1.00 0.00 O ATOM 213 CB LYS A 15 7.213 -7.526 -4.155 1.00 0.00 C ATOM 214 CG LYS A 15 7.189 -8.863 -3.410 1.00 0.00 C ATOM 215 CD LYS A 15 5.840 -9.559 -3.612 1.00 0.00 C ATOM 216 CE LYS A 15 4.711 -8.849 -2.866 1.00 0.00 C ATOM 217 NZ LYS A 15 4.531 -9.433 -1.514 1.00 0.00 N ATOM 0 H LYS A 15 6.094 -5.625 -3.137 1.00 0.00 H new ATOM 0 HA LYS A 15 8.527 -7.000 -2.528 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.196 -7.180 -4.338 1.00 0.00 H new ATOM 0 HB3 LYS A 15 7.688 -7.647 -5.128 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.994 -9.503 -3.771 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.365 -8.698 -2.347 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.606 -9.593 -4.676 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.909 -10.591 -3.267 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.936 -7.786 -2.782 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.783 -8.935 -3.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.760 -8.938 -1.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.295 -10.442 -1.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.412 -9.329 -0.971 1.00 0.00 H new ATOM 231 N ALA A 16 8.676 -4.816 -4.991 1.00 0.00 N ATOM 232 CA ALA A 16 9.660 -4.052 -5.728 1.00 0.00 C ATOM 233 C ALA A 16 10.756 -3.463 -4.828 1.00 0.00 C ATOM 234 O ALA A 16 11.924 -3.514 -5.174 1.00 0.00 O ATOM 235 CB ALA A 16 8.925 -2.973 -6.496 1.00 0.00 C ATOM 0 H ALA A 16 7.711 -4.539 -5.173 1.00 0.00 H new ATOM 0 HA ALA A 16 10.187 -4.715 -6.414 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.641 -2.378 -7.063 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.213 -3.434 -7.181 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.391 -2.329 -5.797 1.00 0.00 H new ATOM 241 N GLU A 17 10.404 -2.995 -3.632 1.00 0.00 N ATOM 242 CA GLU A 17 11.330 -2.495 -2.641 1.00 0.00 C ATOM 243 C GLU A 17 11.844 -3.662 -1.811 1.00 0.00 C ATOM 244 O GLU A 17 13.042 -3.776 -1.689 1.00 0.00 O ATOM 245 CB GLU A 17 10.692 -1.392 -1.788 1.00 0.00 C ATOM 246 CG GLU A 17 9.738 -1.944 -0.731 1.00 0.00 C ATOM 247 CD GLU A 17 8.969 -0.882 0.030 1.00 0.00 C ATOM 248 OE1 GLU A 17 8.346 -0.031 -0.638 1.00 0.00 O ATOM 249 OE2 GLU A 17 8.986 -0.989 1.274 1.00 0.00 O ATOM 0 H GLU A 17 9.432 -2.956 -3.325 1.00 0.00 H new ATOM 0 HA GLU A 17 12.182 -2.028 -3.135 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.478 -0.817 -1.298 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.150 -0.704 -2.437 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.027 -2.614 -1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.308 -2.542 -0.021 1.00 0.00 H new ATOM 256 N SER A 18 11.011 -4.560 -1.282 1.00 0.00 N ATOM 257 CA SER A 18 11.364 -5.641 -0.355 1.00 0.00 C ATOM 258 C SER A 18 12.181 -6.676 -1.079 1.00 0.00 C ATOM 259 O SER A 18 13.307 -6.901 -0.684 1.00 0.00 O ATOM 260 CB SER A 18 10.168 -6.382 0.237 1.00 0.00 C ATOM 261 OG SER A 18 10.603 -7.498 0.995 1.00 0.00 O ATOM 0 H SER A 18 10.015 -4.553 -1.500 1.00 0.00 H new ATOM 0 HA SER A 18 11.902 -5.152 0.457 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.591 -5.707 0.870 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.506 -6.714 -0.563 1.00 0.00 H new ATOM 0 HG SER A 18 9.825 -7.962 1.369 1.00 0.00 H new ATOM 267 N ASN A 19 11.677 -7.274 -2.157 1.00 0.00 N ATOM 268 CA ASN A 19 12.451 -8.123 -3.055 1.00 0.00 C ATOM 269 C ASN A 19 13.832 -7.511 -3.326 1.00 0.00 C ATOM 270 O ASN A 19 14.803 -8.242 -3.390 1.00 0.00 O ATOM 271 CB ASN A 19 11.707 -8.374 -4.374 1.00 0.00 C ATOM 272 CG ASN A 19 12.213 -9.597 -5.102 1.00 0.00 C ATOM 273 OD1 ASN A 19 13.420 -9.561 -5.602 1.00 0.00 O flip ATOM 274 ND2 ASN A 19 11.522 -10.581 -5.236 1.00 0.00 N flip ATOM 0 H ASN A 19 10.700 -7.179 -2.434 1.00 0.00 H new ATOM 0 HA ASN A 19 12.587 -9.085 -2.561 1.00 0.00 H new ATOM 0 HB2 ASN A 19 10.643 -8.491 -4.170 1.00 0.00 H new ATOM 0 HB3 ASN A 19 11.814 -7.502 -5.019 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.581 -10.601 -4.843 1.00 0.00 H new ATOM 0 HD22 ASN A 19 11.880 -11.391 -5.742 1.00 0.00 H new ATOM 281 N SER A 20 13.934 -6.182 -3.432 1.00 0.00 N ATOM 282 CA SER A 20 15.207 -5.480 -3.608 1.00 0.00 C ATOM 283 C SER A 20 15.975 -5.210 -2.319 1.00 0.00 C ATOM 284 O SER A 20 17.192 -5.156 -2.333 1.00 0.00 O ATOM 285 CB SER A 20 14.999 -4.153 -4.327 1.00 0.00 C ATOM 286 OG SER A 20 14.841 -3.033 -3.472 1.00 0.00 O ATOM 0 H SER A 20 13.127 -5.559 -3.398 1.00 0.00 H new ATOM 0 HA SER A 20 15.812 -6.165 -4.203 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.850 -3.974 -4.984 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.117 -4.234 -4.963 1.00 0.00 H new ATOM 0 HG SER A 20 14.215 -3.257 -2.752 1.00 0.00 H new ATOM 292 N HIS A 21 15.294 -5.040 -1.184 1.00 0.00 N ATOM 293 CA HIS A 21 15.855 -4.804 0.143 1.00 0.00 C ATOM 294 C HIS A 21 16.926 -5.841 0.442 1.00 0.00 C ATOM 295 O HIS A 21 17.906 -5.498 1.087 1.00 0.00 O ATOM 296 CB HIS A 21 14.766 -4.808 1.242 1.00 0.00 C ATOM 297 CG HIS A 21 14.032 -3.508 1.478 1.00 0.00 C ATOM 298 ND1 HIS A 21 13.974 -2.426 0.644 1.00 0.00 N flip ATOM 299 CD2 HIS A 21 13.273 -3.221 2.599 1.00 0.00 C flip ATOM 300 CE1 HIS A 21 13.162 -1.484 1.254 1.00 0.00 C flip ATOM 301 NE2 HIS A 21 12.757 -1.983 2.442 1.00 0.00 N flip ATOM 0 H HIS A 21 14.274 -5.065 -1.169 1.00 0.00 H new ATOM 0 HA HIS A 21 16.305 -3.811 0.145 1.00 0.00 H new ATOM 0 HB2 HIS A 21 14.031 -5.572 0.989 1.00 0.00 H new ATOM 0 HB3 HIS A 21 15.231 -5.111 2.180 1.00 0.00 H new ATOM 0 HD2 HIS A 21 13.121 -3.871 3.448 1.00 0.00 H new ATOM 0 HE1 HIS A 21 12.898 -0.518 0.850 1.00 0.00 H new ATOM 0 HE2 HIS A 21 12.158 -1.502 3.113 1.00 0.00 H new ATOM 310 N HIS A 22 16.717 -7.074 -0.030 1.00 0.00 N ATOM 311 CA HIS A 22 17.644 -8.178 0.071 1.00 0.00 C ATOM 312 C HIS A 22 18.842 -7.978 -0.851 1.00 0.00 C ATOM 313 O HIS A 22 19.967 -8.101 -0.386 1.00 0.00 O ATOM 314 CB HIS A 22 16.933 -9.504 -0.234 1.00 0.00 C ATOM 315 CG HIS A 22 15.430 -9.558 -0.066 1.00 0.00 C ATOM 316 ND1 HIS A 22 14.613 -10.298 -0.873 1.00 0.00 N ATOM 317 CD2 HIS A 22 14.637 -8.921 0.848 1.00 0.00 C ATOM 318 CE1 HIS A 22 13.346 -10.147 -0.470 1.00 0.00 C ATOM 319 NE2 HIS A 22 13.327 -9.295 0.578 1.00 0.00 N ATOM 0 H HIS A 22 15.855 -7.329 -0.512 1.00 0.00 H new ATOM 0 HA HIS A 22 18.018 -8.215 1.094 1.00 0.00 H new ATOM 0 HB2 HIS A 22 17.164 -9.778 -1.263 1.00 0.00 H new ATOM 0 HB3 HIS A 22 17.369 -10.272 0.406 1.00 0.00 H new ATOM 0 HD1 HIS A 22 14.920 -10.874 -1.657 1.00 0.00 H new ATOM 0 HD2 HIS A 22 14.967 -8.254 1.631 1.00 0.00 H new ATOM 0 HE1 HIS A 22 12.483 -10.626 -0.909 1.00 0.00 H new ATOM 328 N ALA A 23 18.570 -7.656 -2.122 1.00 0.00 N ATOM 329 CA ALA A 23 19.568 -7.322 -3.120 1.00 0.00 C ATOM 330 C ALA A 23 20.700 -6.464 -2.531 1.00 0.00 C ATOM 331 O ALA A 23 20.429 -5.407 -1.944 1.00 0.00 O ATOM 332 CB ALA A 23 18.924 -6.604 -4.296 1.00 0.00 C ATOM 0 H ALA A 23 17.617 -7.623 -2.485 1.00 0.00 H new ATOM 0 HA ALA A 23 20.007 -8.257 -3.468 1.00 0.00 H new ATOM 0 HB1 ALA A 23 19.687 -6.361 -5.036 1.00 0.00 H new ATOM 0 HB2 ALA A 23 18.172 -7.250 -4.749 1.00 0.00 H new ATOM 0 HB3 ALA A 23 18.451 -5.686 -3.947 1.00 0.00 H new ATOM 338 N PRO A 24 21.951 -6.925 -2.644 1.00 0.00 N ATOM 339 CA PRO A 24 23.080 -6.229 -2.071 1.00 0.00 C ATOM 340 C PRO A 24 23.327 -4.957 -2.864 1.00 0.00 C ATOM 341 O PRO A 24 23.463 -4.991 -4.085 1.00 0.00 O ATOM 342 CB PRO A 24 24.258 -7.197 -2.126 1.00 0.00 C ATOM 343 CG PRO A 24 23.861 -8.244 -3.155 1.00 0.00 C ATOM 344 CD PRO A 24 22.368 -8.091 -3.394 1.00 0.00 C ATOM 0 HA PRO A 24 22.914 -5.927 -1.037 1.00 0.00 H new ATOM 0 HB2 PRO A 24 25.175 -6.686 -2.417 1.00 0.00 H new ATOM 0 HB3 PRO A 24 24.441 -7.651 -1.152 1.00 0.00 H new ATOM 0 HG2 PRO A 24 24.416 -8.103 -4.082 1.00 0.00 H new ATOM 0 HG3 PRO A 24 24.093 -9.246 -2.794 1.00 0.00 H new ATOM 0 HD2 PRO A 24 22.156 -7.966 -4.456 1.00 0.00 H new ATOM 0 HD3 PRO A 24 21.829 -8.979 -3.063 1.00 0.00 H new ATOM 352 N LEU A 25 23.373 -3.833 -2.152 1.00 0.00 N ATOM 353 CA LEU A 25 23.621 -2.525 -2.735 1.00 0.00 C ATOM 354 C LEU A 25 24.995 -2.433 -3.376 1.00 0.00 C ATOM 355 O LEU A 25 25.962 -2.163 -2.673 1.00 0.00 O ATOM 356 CB LEU A 25 23.417 -1.448 -1.665 1.00 0.00 C ATOM 357 CG LEU A 25 22.772 -0.162 -2.164 1.00 0.00 C ATOM 358 CD1 LEU A 25 21.618 -0.420 -3.124 1.00 0.00 C ATOM 359 CD2 LEU A 25 22.329 0.609 -0.921 1.00 0.00 C ATOM 0 H LEU A 25 23.237 -3.809 -1.141 1.00 0.00 H new ATOM 0 HA LEU A 25 22.906 -2.363 -3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 25 22.799 -1.861 -0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 25 24.385 -1.205 -1.226 1.00 0.00 H new ATOM 0 HG LEU A 25 23.485 0.420 -2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 25 21.195 0.531 -3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 25 21.983 -0.970 -3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 25 20.849 -1.006 -2.620 1.00 0.00 H new ATOM 0 HD21 LEU A 25 21.858 1.545 -1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 25 21.616 0.009 -0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 25 23.197 0.824 -0.298 1.00 0.00 H new ATOM 371 N SER A 26 25.061 -2.680 -4.680 1.00 0.00 N ATOM 372 CA SER A 26 26.296 -2.786 -5.453 1.00 0.00 C ATOM 373 C SER A 26 25.977 -3.077 -6.917 1.00 0.00 C ATOM 374 O SER A 26 24.929 -3.648 -7.214 1.00 0.00 O ATOM 375 CB SER A 26 27.160 -3.933 -4.917 1.00 0.00 C ATOM 376 OG SER A 26 27.997 -3.541 -3.846 1.00 0.00 O ATOM 0 H SER A 26 24.226 -2.817 -5.250 1.00 0.00 H new ATOM 0 HA SER A 26 26.831 -1.841 -5.365 1.00 0.00 H new ATOM 0 HB2 SER A 26 26.512 -4.745 -4.586 1.00 0.00 H new ATOM 0 HB3 SER A 26 27.775 -4.326 -5.726 1.00 0.00 H new ATOM 0 HG SER A 26 27.487 -2.988 -3.218 1.00 0.00 H new ATOM 382 N ASP A 27 26.867 -2.686 -7.826 1.00 0.00 N ATOM 383 CA ASP A 27 26.779 -2.943 -9.270 1.00 0.00 C ATOM 384 C ASP A 27 27.519 -4.220 -9.598 1.00 0.00 C ATOM 385 O ASP A 27 28.702 -4.311 -9.310 1.00 0.00 O ATOM 386 CB ASP A 27 27.336 -1.754 -10.081 1.00 0.00 C ATOM 387 CG ASP A 27 28.073 -2.081 -11.395 1.00 0.00 C ATOM 388 OD1 ASP A 27 27.359 -2.141 -12.422 1.00 0.00 O ATOM 389 OD2 ASP A 27 29.316 -2.146 -11.439 1.00 0.00 O ATOM 0 H ASP A 27 27.704 -2.161 -7.572 1.00 0.00 H new ATOM 0 HA ASP A 27 25.731 -3.059 -9.547 1.00 0.00 H new ATOM 0 HB2 ASP A 27 26.506 -1.087 -10.316 1.00 0.00 H new ATOM 0 HB3 ASP A 27 28.020 -1.198 -9.439 1.00 0.00 H new ATOM 394 N GLY A 28 26.813 -5.217 -10.140 1.00 0.00 N ATOM 395 CA GLY A 28 27.440 -6.449 -10.609 1.00 0.00 C ATOM 396 C GLY A 28 28.373 -7.061 -9.569 1.00 0.00 C ATOM 397 O GLY A 28 29.589 -7.097 -9.723 1.00 0.00 O ATOM 0 H GLY A 28 25.801 -5.191 -10.264 1.00 0.00 H new ATOM 0 HA2 GLY A 28 26.666 -7.171 -10.868 1.00 0.00 H new ATOM 0 HA3 GLY A 28 28.002 -6.243 -11.520 1.00 0.00 H new ATOM 401 N LYS A 29 27.779 -7.578 -8.493 1.00 0.00 N ATOM 402 CA LYS A 29 28.516 -8.182 -7.373 1.00 0.00 C ATOM 403 C LYS A 29 27.783 -9.345 -6.736 1.00 0.00 C ATOM 404 O LYS A 29 28.031 -9.703 -5.585 1.00 0.00 O ATOM 405 CB LYS A 29 28.913 -7.094 -6.363 1.00 0.00 C ATOM 406 CG LYS A 29 30.353 -6.616 -6.607 1.00 0.00 C ATOM 407 CD LYS A 29 31.047 -6.250 -5.295 1.00 0.00 C ATOM 408 CE LYS A 29 31.575 -7.515 -4.605 1.00 0.00 C ATOM 409 NZ LYS A 29 32.567 -7.154 -3.566 1.00 0.00 N ATOM 0 H LYS A 29 26.767 -7.591 -8.369 1.00 0.00 H new ATOM 0 HA LYS A 29 29.430 -8.624 -7.770 1.00 0.00 H new ATOM 0 HB2 LYS A 29 28.227 -6.250 -6.443 1.00 0.00 H new ATOM 0 HB3 LYS A 29 28.822 -7.483 -5.349 1.00 0.00 H new ATOM 0 HG2 LYS A 29 30.917 -7.399 -7.113 1.00 0.00 H new ATOM 0 HG3 LYS A 29 30.344 -5.751 -7.270 1.00 0.00 H new ATOM 0 HD2 LYS A 29 31.870 -5.563 -5.490 1.00 0.00 H new ATOM 0 HD3 LYS A 29 30.348 -5.733 -4.637 1.00 0.00 H new ATOM 0 HE2 LYS A 29 30.748 -8.064 -4.154 1.00 0.00 H new ATOM 0 HE3 LYS A 29 32.033 -8.176 -5.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 32.918 -8.018 -3.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 33.363 -6.649 -4.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 32.118 -6.541 -2.856 1.00 0.00 H new ATOM 423 N THR A 30 26.888 -9.949 -7.497 1.00 0.00 N ATOM 424 CA THR A 30 26.040 -11.043 -7.056 1.00 0.00 C ATOM 425 C THR A 30 26.254 -12.225 -7.978 1.00 0.00 C ATOM 426 O THR A 30 26.613 -12.053 -9.143 1.00 0.00 O ATOM 427 CB THR A 30 24.589 -10.590 -7.056 1.00 0.00 C ATOM 428 OG1 THR A 30 24.190 -10.409 -8.375 1.00 0.00 O ATOM 429 CG2 THR A 30 24.391 -9.303 -6.265 1.00 0.00 C ATOM 0 H THR A 30 26.726 -9.684 -8.469 1.00 0.00 H new ATOM 0 HA THR A 30 26.296 -11.344 -6.040 1.00 0.00 H new ATOM 0 HB THR A 30 23.982 -11.354 -6.571 1.00 0.00 H new ATOM 0 HG1 THR A 30 23.222 -10.258 -8.406 1.00 0.00 H new ATOM 0 HG21 THR A 30 23.339 -9.017 -6.292 1.00 0.00 H new ATOM 0 HG22 THR A 30 24.697 -9.461 -5.231 1.00 0.00 H new ATOM 0 HG23 THR A 30 24.994 -8.509 -6.705 1.00 0.00 H new ATOM 437 N GLY A 31 26.069 -13.429 -7.442 1.00 0.00 N ATOM 438 CA GLY A 31 26.193 -14.689 -8.167 1.00 0.00 C ATOM 439 C GLY A 31 25.649 -14.634 -9.587 1.00 0.00 C ATOM 440 O GLY A 31 26.397 -14.825 -10.542 1.00 0.00 O ATOM 0 H GLY A 31 25.821 -13.558 -6.461 1.00 0.00 H new ATOM 0 HA2 GLY A 31 27.244 -14.977 -8.201 1.00 0.00 H new ATOM 0 HA3 GLY A 31 25.667 -15.468 -7.616 1.00 0.00 H new ATOM 444 N SER A 32 24.345 -14.401 -9.720 1.00 0.00 N ATOM 445 CA SER A 32 23.733 -14.209 -11.031 1.00 0.00 C ATOM 446 C SER A 32 24.265 -12.970 -11.734 1.00 0.00 C ATOM 447 O SER A 32 24.742 -13.098 -12.860 1.00 0.00 O ATOM 448 CB SER A 32 22.222 -14.103 -10.932 1.00 0.00 C ATOM 449 OG SER A 32 21.709 -13.882 -12.227 1.00 0.00 O ATOM 0 H SER A 32 23.694 -14.341 -8.937 1.00 0.00 H new ATOM 0 HA SER A 32 23.997 -15.089 -11.617 1.00 0.00 H new ATOM 0 HB2 SER A 32 21.804 -15.016 -10.509 1.00 0.00 H new ATOM 0 HB3 SER A 32 21.941 -13.286 -10.268 1.00 0.00 H new ATOM 0 HG SER A 32 21.661 -12.919 -12.400 1.00 0.00 H new ATOM 455 N SER A 33 24.099 -11.788 -11.116 1.00 0.00 N ATOM 456 CA SER A 33 24.538 -10.465 -11.602 1.00 0.00 C ATOM 457 C SER A 33 23.769 -9.330 -10.948 1.00 0.00 C ATOM 458 O SER A 33 24.356 -8.356 -10.505 1.00 0.00 O ATOM 459 CB SER A 33 24.330 -10.291 -13.107 1.00 0.00 C ATOM 460 OG SER A 33 25.449 -10.722 -13.838 1.00 0.00 O ATOM 0 H SER A 33 23.629 -11.725 -10.213 1.00 0.00 H new ATOM 0 HA SER A 33 25.597 -10.425 -11.349 1.00 0.00 H new ATOM 0 HB2 SER A 33 23.451 -10.854 -13.421 1.00 0.00 H new ATOM 0 HB3 SER A 33 24.132 -9.242 -13.328 1.00 0.00 H new ATOM 0 HG SER A 33 25.569 -11.687 -13.715 1.00 0.00 H new ATOM 466 N TYR A 34 22.443 -9.447 -10.927 1.00 0.00 N ATOM 467 CA TYR A 34 21.555 -8.459 -10.345 1.00 0.00 C ATOM 468 C TYR A 34 21.741 -8.308 -8.822 1.00 0.00 C ATOM 469 O TYR A 34 21.873 -9.330 -8.158 1.00 0.00 O ATOM 470 CB TYR A 34 20.117 -8.863 -10.661 1.00 0.00 C ATOM 471 CG TYR A 34 19.849 -9.065 -12.138 1.00 0.00 C ATOM 472 CD1 TYR A 34 20.047 -10.329 -12.727 1.00 0.00 C ATOM 473 CD2 TYR A 34 19.395 -7.994 -12.927 1.00 0.00 C ATOM 474 CE1 TYR A 34 19.820 -10.513 -14.102 1.00 0.00 C ATOM 475 CE2 TYR A 34 19.139 -8.183 -14.292 1.00 0.00 C ATOM 476 CZ TYR A 34 19.376 -9.428 -14.890 1.00 0.00 C ATOM 477 OH TYR A 34 19.163 -9.562 -16.223 1.00 0.00 O ATOM 0 H TYR A 34 21.952 -10.249 -11.323 1.00 0.00 H new ATOM 0 HA TYR A 34 21.794 -7.488 -10.780 1.00 0.00 H new ATOM 0 HB2 TYR A 34 19.884 -9.786 -10.129 1.00 0.00 H new ATOM 0 HB3 TYR A 34 19.442 -8.096 -10.280 1.00 0.00 H new ATOM 0 HD1 TYR A 34 20.374 -11.160 -12.120 1.00 0.00 H new ATOM 0 HD2 TYR A 34 19.243 -7.023 -12.480 1.00 0.00 H new ATOM 0 HE1 TYR A 34 19.984 -11.480 -14.554 1.00 0.00 H new ATOM 0 HE2 TYR A 34 18.757 -7.365 -14.886 1.00 0.00 H new ATOM 0 HH TYR A 34 18.859 -8.707 -16.593 1.00 0.00 H new ATOM 487 N PRO A 35 21.588 -7.106 -8.246 1.00 0.00 N ATOM 488 CA PRO A 35 21.335 -5.889 -8.988 1.00 0.00 C ATOM 489 C PRO A 35 22.584 -5.421 -9.715 1.00 0.00 C ATOM 490 O PRO A 35 23.704 -5.841 -9.446 1.00 0.00 O ATOM 491 CB PRO A 35 20.834 -4.858 -7.988 1.00 0.00 C ATOM 492 CG PRO A 35 21.313 -5.366 -6.635 1.00 0.00 C ATOM 493 CD PRO A 35 21.728 -6.827 -6.828 1.00 0.00 C ATOM 0 HA PRO A 35 20.586 -6.052 -9.763 1.00 0.00 H new ATOM 0 HB2 PRO A 35 21.237 -3.868 -8.204 1.00 0.00 H new ATOM 0 HB3 PRO A 35 19.748 -4.774 -8.017 1.00 0.00 H new ATOM 0 HG2 PRO A 35 22.152 -4.771 -6.274 1.00 0.00 H new ATOM 0 HG3 PRO A 35 20.521 -5.285 -5.890 1.00 0.00 H new ATOM 0 HD2 PRO A 35 22.755 -6.986 -6.500 1.00 0.00 H new ATOM 0 HD3 PRO A 35 21.098 -7.492 -6.237 1.00 0.00 H new ATOM 501 N HIS A 36 22.359 -4.616 -10.736 1.00 0.00 N ATOM 502 CA HIS A 36 23.420 -4.124 -11.604 1.00 0.00 C ATOM 503 C HIS A 36 23.203 -2.661 -11.886 1.00 0.00 C ATOM 504 O HIS A 36 22.226 -2.093 -11.421 1.00 0.00 O ATOM 505 CB HIS A 36 23.555 -4.960 -12.881 1.00 0.00 C ATOM 506 CG HIS A 36 22.322 -5.124 -13.726 1.00 0.00 C ATOM 507 ND1 HIS A 36 22.245 -4.854 -15.077 1.00 0.00 N ATOM 508 CD2 HIS A 36 21.085 -5.485 -13.294 1.00 0.00 C ATOM 509 CE1 HIS A 36 20.975 -5.065 -15.465 1.00 0.00 C ATOM 510 NE2 HIS A 36 20.269 -5.470 -14.397 1.00 0.00 N ATOM 0 H HIS A 36 21.430 -4.281 -10.991 1.00 0.00 H new ATOM 0 HA HIS A 36 24.374 -4.231 -11.088 1.00 0.00 H new ATOM 0 HB2 HIS A 36 24.331 -4.510 -13.499 1.00 0.00 H new ATOM 0 HB3 HIS A 36 23.907 -5.953 -12.600 1.00 0.00 H new ATOM 0 HD2 HIS A 36 20.801 -5.734 -12.282 1.00 0.00 H new ATOM 0 HE1 HIS A 36 20.589 -4.932 -16.465 1.00 0.00 H new ATOM 0 HE2 HIS A 36 19.282 -5.726 -14.404 1.00 0.00 H new ATOM 519 N TRP A 37 24.175 -2.004 -12.502 1.00 0.00 N ATOM 520 CA TRP A 37 24.022 -0.595 -12.807 1.00 0.00 C ATOM 521 C TRP A 37 23.007 -0.432 -13.931 1.00 0.00 C ATOM 522 O TRP A 37 22.946 -1.220 -14.873 1.00 0.00 O ATOM 523 CB TRP A 37 25.377 -0.011 -13.174 1.00 0.00 C ATOM 524 CG TRP A 37 25.382 1.395 -13.655 1.00 0.00 C ATOM 525 CD1 TRP A 37 24.686 2.422 -13.141 1.00 0.00 C ATOM 526 CD2 TRP A 37 26.131 1.951 -14.752 1.00 0.00 C ATOM 527 NE1 TRP A 37 24.928 3.575 -13.843 1.00 0.00 N ATOM 528 CE2 TRP A 37 25.825 3.339 -14.847 1.00 0.00 C ATOM 529 CE3 TRP A 37 26.998 1.392 -15.705 1.00 0.00 C ATOM 530 CZ2 TRP A 37 26.343 4.147 -15.850 1.00 0.00 C ATOM 531 CZ3 TRP A 37 27.552 2.196 -16.711 1.00 0.00 C ATOM 532 CH2 TRP A 37 27.215 3.560 -16.779 1.00 0.00 C ATOM 0 H TRP A 37 25.061 -2.417 -12.794 1.00 0.00 H new ATOM 0 HA TRP A 37 23.649 -0.052 -11.939 1.00 0.00 H new ATOM 0 HB2 TRP A 37 26.025 -0.075 -12.300 1.00 0.00 H new ATOM 0 HB3 TRP A 37 25.821 -0.638 -13.947 1.00 0.00 H new ATOM 0 HD1 TRP A 37 24.025 2.350 -12.290 1.00 0.00 H new ATOM 0 HE1 TRP A 37 24.500 4.479 -13.644 1.00 0.00 H new ATOM 0 HE3 TRP A 37 27.239 0.340 -15.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 26.083 5.193 -15.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 28.235 1.770 -17.431 1.00 0.00 H new ATOM 0 HH2 TRP A 37 27.637 4.169 -17.564 1.00 0.00 H new ATOM 543 N PHE A 38 22.296 0.679 -13.873 1.00 0.00 N ATOM 544 CA PHE A 38 21.242 1.080 -14.761 1.00 0.00 C ATOM 545 C PHE A 38 21.640 2.438 -15.294 1.00 0.00 C ATOM 546 O PHE A 38 21.159 3.470 -14.828 1.00 0.00 O ATOM 547 CB PHE A 38 19.914 1.134 -14.006 1.00 0.00 C ATOM 548 CG PHE A 38 18.769 1.658 -14.846 1.00 0.00 C ATOM 549 CD1 PHE A 38 18.483 1.091 -16.100 1.00 0.00 C ATOM 550 CD2 PHE A 38 18.049 2.783 -14.415 1.00 0.00 C ATOM 551 CE1 PHE A 38 17.471 1.645 -16.902 1.00 0.00 C ATOM 552 CE2 PHE A 38 17.010 3.308 -15.197 1.00 0.00 C ATOM 553 CZ PHE A 38 16.737 2.750 -16.446 1.00 0.00 C ATOM 0 H PHE A 38 22.461 1.372 -13.143 1.00 0.00 H new ATOM 0 HA PHE A 38 21.103 0.375 -15.581 1.00 0.00 H new ATOM 0 HB2 PHE A 38 19.666 0.134 -13.649 1.00 0.00 H new ATOM 0 HB3 PHE A 38 20.030 1.767 -13.126 1.00 0.00 H new ATOM 0 HD1 PHE A 38 19.039 0.232 -16.446 1.00 0.00 H new ATOM 0 HD2 PHE A 38 18.297 3.249 -13.473 1.00 0.00 H new ATOM 0 HE1 PHE A 38 17.258 1.219 -17.871 1.00 0.00 H new ATOM 0 HE2 PHE A 38 16.424 4.140 -14.834 1.00 0.00 H new ATOM 0 HZ PHE A 38 15.958 3.170 -17.064 1.00 0.00 H new ATOM 563 N THR A 39 22.558 2.422 -16.262 1.00 0.00 N ATOM 564 CA THR A 39 22.966 3.600 -17.039 1.00 0.00 C ATOM 565 C THR A 39 21.790 4.516 -17.324 1.00 0.00 C ATOM 566 O THR A 39 21.932 5.717 -17.178 1.00 0.00 O ATOM 567 CB THR A 39 23.582 3.176 -18.377 1.00 0.00 C ATOM 568 OG1 THR A 39 22.619 2.424 -19.071 1.00 0.00 O ATOM 569 CG2 THR A 39 24.791 2.277 -18.196 1.00 0.00 C ATOM 0 H THR A 39 23.051 1.572 -16.536 1.00 0.00 H new ATOM 0 HA THR A 39 23.701 4.136 -16.439 1.00 0.00 H new ATOM 0 HB THR A 39 23.890 4.078 -18.905 1.00 0.00 H new ATOM 0 HG1 THR A 39 22.986 2.140 -19.934 1.00 0.00 H new ATOM 0 HG21 THR A 39 25.191 2.004 -19.173 1.00 0.00 H new ATOM 0 HG22 THR A 39 25.555 2.805 -17.626 1.00 0.00 H new ATOM 0 HG23 THR A 39 24.497 1.375 -17.660 1.00 0.00 H new ATOM 577 N ASN A 40 20.609 3.964 -17.639 1.00 0.00 N ATOM 578 CA ASN A 40 19.394 4.733 -17.908 1.00 0.00 C ATOM 579 C ASN A 40 19.600 5.686 -19.095 1.00 0.00 C ATOM 580 O ASN A 40 18.889 6.665 -19.282 1.00 0.00 O ATOM 581 CB ASN A 40 18.975 5.461 -16.617 1.00 0.00 C ATOM 582 CG ASN A 40 17.705 6.268 -16.768 1.00 0.00 C ATOM 583 OD1 ASN A 40 16.768 5.887 -17.439 1.00 0.00 O ATOM 584 ND2 ASN A 40 17.640 7.421 -16.154 1.00 0.00 N ATOM 0 H ASN A 40 20.473 2.956 -17.714 1.00 0.00 H new ATOM 0 HA ASN A 40 18.582 4.068 -18.200 1.00 0.00 H new ATOM 0 HB2 ASN A 40 18.838 4.727 -15.823 1.00 0.00 H new ATOM 0 HB3 ASN A 40 19.782 6.123 -16.304 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.803 7.998 -16.240 1.00 0.00 H new ATOM 0 HD22 ASN A 40 18.426 7.743 -15.590 1.00 0.00 H new ATOM 591 N GLY A 41 20.647 5.453 -19.874 1.00 0.00 N ATOM 592 CA GLY A 41 21.064 6.338 -20.931 1.00 0.00 C ATOM 593 C GLY A 41 22.424 6.937 -20.652 1.00 0.00 C ATOM 594 O GLY A 41 23.163 7.117 -21.602 1.00 0.00 O ATOM 0 H GLY A 41 21.236 4.625 -19.780 1.00 0.00 H new ATOM 0 HA2 GLY A 41 21.093 5.791 -21.874 1.00 0.00 H new ATOM 0 HA3 GLY A 41 20.331 7.136 -21.048 1.00 0.00 H new ATOM 598 N TYR A 42 22.719 7.338 -19.408 1.00 0.00 N ATOM 599 CA TYR A 42 23.997 7.937 -19.026 1.00 0.00 C ATOM 600 C TYR A 42 25.196 7.118 -19.524 1.00 0.00 C ATOM 601 O TYR A 42 25.098 5.916 -19.739 1.00 0.00 O ATOM 602 CB TYR A 42 24.078 8.055 -17.496 1.00 0.00 C ATOM 603 CG TYR A 42 23.202 9.137 -16.899 1.00 0.00 C ATOM 604 CD1 TYR A 42 23.737 10.425 -16.751 1.00 0.00 C ATOM 605 CD2 TYR A 42 21.888 8.876 -16.464 1.00 0.00 C ATOM 606 CE1 TYR A 42 22.968 11.454 -16.185 1.00 0.00 C ATOM 607 CE2 TYR A 42 21.108 9.896 -15.890 1.00 0.00 C ATOM 608 CZ TYR A 42 21.647 11.196 -15.767 1.00 0.00 C ATOM 609 OH TYR A 42 20.939 12.223 -15.246 1.00 0.00 O ATOM 0 H TYR A 42 22.064 7.252 -18.630 1.00 0.00 H new ATOM 0 HA TYR A 42 24.043 8.921 -19.492 1.00 0.00 H new ATOM 0 HB2 TYR A 42 23.800 7.097 -17.056 1.00 0.00 H new ATOM 0 HB3 TYR A 42 25.113 8.247 -17.214 1.00 0.00 H new ATOM 0 HD1 TYR A 42 24.747 10.627 -17.075 1.00 0.00 H new ATOM 0 HD2 TYR A 42 21.476 7.884 -16.572 1.00 0.00 H new ATOM 0 HE1 TYR A 42 23.388 12.442 -16.070 1.00 0.00 H new ATOM 0 HE2 TYR A 42 20.106 9.687 -15.546 1.00 0.00 H new ATOM 0 HH TYR A 42 20.522 11.940 -14.406 1.00 0.00 H new ATOM 619 N ASP A 43 26.361 7.750 -19.610 1.00 0.00 N ATOM 620 CA ASP A 43 27.582 7.076 -20.070 1.00 0.00 C ATOM 621 C ASP A 43 28.268 6.332 -18.929 1.00 0.00 C ATOM 622 O ASP A 43 28.874 5.278 -19.097 1.00 0.00 O ATOM 623 CB ASP A 43 28.567 8.113 -20.636 1.00 0.00 C ATOM 624 CG ASP A 43 28.742 8.013 -22.155 1.00 0.00 C ATOM 625 OD1 ASP A 43 28.820 6.877 -22.668 1.00 0.00 O ATOM 626 OD2 ASP A 43 28.789 9.093 -22.787 1.00 0.00 O ATOM 0 H ASP A 43 26.492 8.732 -19.367 1.00 0.00 H new ATOM 0 HA ASP A 43 27.295 6.360 -20.840 1.00 0.00 H new ATOM 0 HB2 ASP A 43 28.217 9.114 -20.382 1.00 0.00 H new ATOM 0 HB3 ASP A 43 29.537 7.983 -20.156 1.00 0.00 H new ATOM 631 N GLY A 44 28.200 6.926 -17.738 1.00 0.00 N ATOM 632 CA GLY A 44 28.833 6.443 -16.526 1.00 0.00 C ATOM 633 C GLY A 44 29.311 7.586 -15.653 1.00 0.00 C ATOM 634 O GLY A 44 29.274 7.480 -14.440 1.00 0.00 O ATOM 0 H GLY A 44 27.680 7.791 -17.593 1.00 0.00 H new ATOM 0 HA2 GLY A 44 28.128 5.828 -15.967 1.00 0.00 H new ATOM 0 HA3 GLY A 44 29.678 5.805 -16.785 1.00 0.00 H new ATOM 638 N ASP A 45 29.707 8.711 -16.227 1.00 0.00 N ATOM 639 CA ASP A 45 30.186 9.841 -15.439 1.00 0.00 C ATOM 640 C ASP A 45 29.033 10.656 -14.871 1.00 0.00 C ATOM 641 O ASP A 45 29.013 10.934 -13.677 1.00 0.00 O ATOM 642 CB ASP A 45 31.059 10.739 -16.320 1.00 0.00 C ATOM 643 CG ASP A 45 32.523 10.662 -15.888 1.00 0.00 C ATOM 644 OD1 ASP A 45 33.054 9.532 -15.793 1.00 0.00 O ATOM 645 OD2 ASP A 45 33.063 11.733 -15.541 1.00 0.00 O ATOM 0 H ASP A 45 29.707 8.868 -17.235 1.00 0.00 H new ATOM 0 HA ASP A 45 30.767 9.450 -14.603 1.00 0.00 H new ATOM 0 HB2 ASP A 45 30.966 10.435 -17.363 1.00 0.00 H new ATOM 0 HB3 ASP A 45 30.710 11.770 -16.256 1.00 0.00 H new ATOM 650 N GLY A 46 28.135 11.089 -15.760 1.00 0.00 N ATOM 651 CA GLY A 46 26.987 11.924 -15.429 1.00 0.00 C ATOM 652 C GLY A 46 26.466 12.707 -16.623 1.00 0.00 C ATOM 653 O GLY A 46 26.024 13.841 -16.468 1.00 0.00 O ATOM 0 H GLY A 46 28.191 10.861 -16.753 1.00 0.00 H new ATOM 0 HA2 GLY A 46 26.188 11.296 -15.035 1.00 0.00 H new ATOM 0 HA3 GLY A 46 27.265 12.620 -14.637 1.00 0.00 H new ATOM 657 N LYS A 47 26.562 12.132 -17.826 1.00 0.00 N ATOM 658 CA LYS A 47 26.089 12.736 -19.068 1.00 0.00 C ATOM 659 C LYS A 47 25.493 11.663 -19.942 1.00 0.00 C ATOM 660 O LYS A 47 25.790 10.492 -19.738 1.00 0.00 O ATOM 661 CB LYS A 47 27.255 13.432 -19.779 1.00 0.00 C ATOM 662 CG LYS A 47 27.893 14.471 -18.847 1.00 0.00 C ATOM 663 CD LYS A 47 28.848 15.405 -19.581 1.00 0.00 C ATOM 664 CE LYS A 47 28.693 16.820 -19.018 1.00 0.00 C ATOM 665 NZ LYS A 47 29.468 17.779 -19.837 1.00 0.00 N ATOM 0 H LYS A 47 26.981 11.212 -17.962 1.00 0.00 H new ATOM 0 HA LYS A 47 25.324 13.482 -18.854 1.00 0.00 H new ATOM 0 HB2 LYS A 47 28.000 12.695 -20.080 1.00 0.00 H new ATOM 0 HB3 LYS A 47 26.900 13.917 -20.689 1.00 0.00 H new ATOM 0 HG2 LYS A 47 27.108 15.059 -18.372 1.00 0.00 H new ATOM 0 HG3 LYS A 47 28.432 13.958 -18.051 1.00 0.00 H new ATOM 0 HD2 LYS A 47 29.876 15.063 -19.461 1.00 0.00 H new ATOM 0 HD3 LYS A 47 28.633 15.399 -20.650 1.00 0.00 H new ATOM 0 HE2 LYS A 47 27.641 17.104 -19.010 1.00 0.00 H new ATOM 0 HE3 LYS A 47 29.039 16.849 -17.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 29.357 18.737 -19.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 30.474 17.514 -19.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 29.119 17.761 -20.816 1.00 0.00 H new ATOM 679 N LEU A 48 24.666 12.070 -20.889 1.00 0.00 N ATOM 680 CA LEU A 48 24.007 11.158 -21.797 1.00 0.00 C ATOM 681 C LEU A 48 24.610 11.268 -23.207 1.00 0.00 C ATOM 682 O LEU A 48 24.982 12.376 -23.611 1.00 0.00 O ATOM 683 CB LEU A 48 22.530 11.498 -21.802 1.00 0.00 C ATOM 684 CG LEU A 48 21.778 11.156 -20.499 1.00 0.00 C ATOM 685 CD1 LEU A 48 20.773 12.243 -20.139 1.00 0.00 C ATOM 686 CD2 LEU A 48 21.015 9.844 -20.603 1.00 0.00 C ATOM 0 H LEU A 48 24.434 13.050 -21.048 1.00 0.00 H new ATOM 0 HA LEU A 48 24.148 10.127 -21.472 1.00 0.00 H new ATOM 0 HB2 LEU A 48 22.419 12.564 -21.999 1.00 0.00 H new ATOM 0 HB3 LEU A 48 22.054 10.970 -22.628 1.00 0.00 H new ATOM 0 HG LEU A 48 22.545 11.073 -19.729 1.00 0.00 H new ATOM 0 HD11 LEU A 48 20.259 11.973 -19.216 1.00 0.00 H new ATOM 0 HD12 LEU A 48 21.295 13.190 -20.000 1.00 0.00 H new ATOM 0 HD13 LEU A 48 20.044 12.346 -20.943 1.00 0.00 H new ATOM 0 HD21 LEU A 48 20.502 9.646 -19.662 1.00 0.00 H new ATOM 0 HD22 LEU A 48 20.283 9.911 -21.408 1.00 0.00 H new ATOM 0 HD23 LEU A 48 21.712 9.033 -20.814 1.00 0.00 H new ATOM 698 N PRO A 49 24.640 10.164 -23.971 1.00 0.00 N ATOM 699 CA PRO A 49 25.193 10.113 -25.306 1.00 0.00 C ATOM 700 C PRO A 49 24.287 10.832 -26.311 1.00 0.00 C ATOM 701 O PRO A 49 23.217 11.378 -26.003 1.00 0.00 O ATOM 702 CB PRO A 49 25.397 8.621 -25.622 1.00 0.00 C ATOM 703 CG PRO A 49 24.498 7.855 -24.656 1.00 0.00 C ATOM 704 CD PRO A 49 24.130 8.868 -23.584 1.00 0.00 C ATOM 0 HA PRO A 49 26.145 10.639 -25.376 1.00 0.00 H new ATOM 0 HB2 PRO A 49 25.132 8.402 -26.657 1.00 0.00 H new ATOM 0 HB3 PRO A 49 26.441 8.335 -25.493 1.00 0.00 H new ATOM 0 HG2 PRO A 49 23.611 7.472 -25.160 1.00 0.00 H new ATOM 0 HG3 PRO A 49 25.017 6.997 -24.228 1.00 0.00 H new ATOM 0 HD2 PRO A 49 23.048 8.910 -23.461 1.00 0.00 H new ATOM 0 HD3 PRO A 49 24.549 8.569 -22.623 1.00 0.00 H new ATOM 712 N LYS A 50 24.736 10.881 -27.562 1.00 0.00 N ATOM 713 CA LYS A 50 23.956 11.432 -28.661 1.00 0.00 C ATOM 714 C LYS A 50 22.887 10.430 -29.095 1.00 0.00 C ATOM 715 O LYS A 50 23.197 9.499 -29.832 1.00 0.00 O ATOM 716 CB LYS A 50 24.892 11.855 -29.789 1.00 0.00 C ATOM 717 CG LYS A 50 24.129 12.195 -31.086 1.00 0.00 C ATOM 718 CD LYS A 50 25.085 12.433 -32.252 1.00 0.00 C ATOM 719 CE LYS A 50 25.733 11.104 -32.682 1.00 0.00 C ATOM 720 NZ LYS A 50 27.213 11.207 -32.697 1.00 0.00 N ATOM 0 H LYS A 50 25.655 10.538 -27.841 1.00 0.00 H new ATOM 0 HA LYS A 50 23.423 12.328 -28.343 1.00 0.00 H new ATOM 0 HB2 LYS A 50 25.470 12.723 -29.472 1.00 0.00 H new ATOM 0 HB3 LYS A 50 25.603 11.053 -29.988 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.448 11.380 -31.333 1.00 0.00 H new ATOM 0 HG3 LYS A 50 23.518 13.084 -30.928 1.00 0.00 H new ATOM 0 HD2 LYS A 50 24.546 12.872 -33.091 1.00 0.00 H new ATOM 0 HD3 LYS A 50 25.857 13.146 -31.961 1.00 0.00 H new ATOM 0 HE2 LYS A 50 25.428 10.311 -32.000 1.00 0.00 H new ATOM 0 HE3 LYS A 50 25.375 10.826 -33.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 27.621 10.297 -32.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 27.503 11.948 -33.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 27.554 11.448 -31.745 1.00 0.00 H new ATOM 734 N GLY A 51 21.646 10.677 -28.683 1.00 0.00 N ATOM 735 CA GLY A 51 20.497 9.849 -29.051 1.00 0.00 C ATOM 736 C GLY A 51 20.149 8.879 -27.938 1.00 0.00 C ATOM 737 O GLY A 51 20.613 7.749 -27.935 1.00 0.00 O ATOM 0 H GLY A 51 21.406 11.463 -28.079 1.00 0.00 H new ATOM 0 HA2 GLY A 51 19.639 10.486 -29.265 1.00 0.00 H new ATOM 0 HA3 GLY A 51 20.720 9.296 -29.964 1.00 0.00 H new ATOM 741 N ARG A 52 19.381 9.357 -26.962 1.00 0.00 N ATOM 742 CA ARG A 52 18.916 8.574 -25.815 1.00 0.00 C ATOM 743 C ARG A 52 17.755 9.282 -25.137 1.00 0.00 C ATOM 744 O ARG A 52 17.569 10.480 -25.367 1.00 0.00 O ATOM 745 CB ARG A 52 20.084 8.372 -24.833 1.00 0.00 C ATOM 746 CG ARG A 52 20.175 9.474 -23.778 1.00 0.00 C ATOM 747 CD ARG A 52 20.351 10.891 -24.356 1.00 0.00 C ATOM 748 NE ARG A 52 19.952 11.958 -23.426 1.00 0.00 N ATOM 749 CZ ARG A 52 20.361 13.211 -23.495 1.00 0.00 C ATOM 750 NH1 ARG A 52 21.180 13.607 -24.429 1.00 0.00 N ATOM 751 NH2 ARG A 52 20.021 14.078 -22.583 1.00 0.00 N ATOM 0 H ARG A 52 19.055 10.324 -26.944 1.00 0.00 H new ATOM 0 HA ARG A 52 18.566 7.599 -26.153 1.00 0.00 H new ATOM 0 HB2 ARG A 52 19.971 7.409 -24.335 1.00 0.00 H new ATOM 0 HB3 ARG A 52 21.019 8.334 -25.392 1.00 0.00 H new ATOM 0 HG2 ARG A 52 19.272 9.453 -23.168 1.00 0.00 H new ATOM 0 HG3 ARG A 52 21.013 9.258 -23.115 1.00 0.00 H new ATOM 0 HD2 ARG A 52 21.395 11.034 -24.634 1.00 0.00 H new ATOM 0 HD3 ARG A 52 19.763 10.978 -25.270 1.00 0.00 H new ATOM 0 HE ARG A 52 19.311 11.711 -22.671 1.00 0.00 H new ATOM 0 HH11 ARG A 52 21.518 12.943 -25.126 1.00 0.00 H new ATOM 0 HH12 ARG A 52 21.483 14.580 -24.463 1.00 0.00 H new ATOM 0 HH21 ARG A 52 19.431 13.792 -21.802 1.00 0.00 H new ATOM 0 HH22 ARG A 52 20.345 15.043 -22.650 1.00 0.00 H new ATOM 765 N THR A 53 17.139 8.615 -24.169 1.00 0.00 N ATOM 766 CA THR A 53 16.092 9.215 -23.343 1.00 0.00 C ATOM 767 C THR A 53 16.037 8.547 -21.966 1.00 0.00 C ATOM 768 O THR A 53 15.615 7.397 -21.872 1.00 0.00 O ATOM 769 CB THR A 53 14.772 9.139 -24.106 1.00 0.00 C ATOM 770 OG1 THR A 53 14.835 10.100 -25.135 1.00 0.00 O ATOM 771 CG2 THR A 53 13.547 9.546 -23.307 1.00 0.00 C ATOM 0 H THR A 53 17.348 7.645 -23.933 1.00 0.00 H new ATOM 0 HA THR A 53 16.308 10.266 -23.149 1.00 0.00 H new ATOM 0 HB THR A 53 14.665 8.099 -24.414 1.00 0.00 H new ATOM 0 HG1 THR A 53 15.754 10.432 -25.217 1.00 0.00 H new ATOM 0 HG21 THR A 53 12.659 9.459 -23.933 1.00 0.00 H new ATOM 0 HG22 THR A 53 13.445 8.894 -22.440 1.00 0.00 H new ATOM 0 HG23 THR A 53 13.656 10.578 -22.974 1.00 0.00 H new ATOM 779 N PRO A 54 16.482 9.241 -20.900 1.00 0.00 N ATOM 780 CA PRO A 54 16.411 8.716 -19.548 1.00 0.00 C ATOM 781 C PRO A 54 14.976 8.675 -19.050 1.00 0.00 C ATOM 782 O PRO A 54 14.153 9.547 -19.344 1.00 0.00 O ATOM 783 CB PRO A 54 17.278 9.628 -18.681 1.00 0.00 C ATOM 784 CG PRO A 54 17.395 10.928 -19.468 1.00 0.00 C ATOM 785 CD PRO A 54 16.942 10.617 -20.892 1.00 0.00 C ATOM 0 HA PRO A 54 16.773 7.689 -19.508 1.00 0.00 H new ATOM 0 HB2 PRO A 54 16.821 9.797 -17.706 1.00 0.00 H new ATOM 0 HB3 PRO A 54 18.258 9.186 -18.501 1.00 0.00 H new ATOM 0 HG2 PRO A 54 16.774 11.707 -19.025 1.00 0.00 H new ATOM 0 HG3 PRO A 54 18.421 11.295 -19.459 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.143 11.292 -21.199 1.00 0.00 H new ATOM 0 HD3 PRO A 54 17.763 10.753 -21.596 1.00 0.00 H new ATOM 793 N ILE A 55 14.690 7.661 -18.245 1.00 0.00 N ATOM 794 CA ILE A 55 13.383 7.456 -17.651 1.00 0.00 C ATOM 795 C ILE A 55 13.163 8.536 -16.603 1.00 0.00 C ATOM 796 O ILE A 55 13.959 8.703 -15.683 1.00 0.00 O ATOM 797 CB ILE A 55 13.258 6.036 -17.086 1.00 0.00 C ATOM 798 CG1 ILE A 55 13.689 5.013 -18.154 1.00 0.00 C ATOM 799 CG2 ILE A 55 11.797 5.818 -16.693 1.00 0.00 C ATOM 800 CD1 ILE A 55 13.455 3.588 -17.713 1.00 0.00 C ATOM 0 H ILE A 55 15.372 6.949 -17.984 1.00 0.00 H new ATOM 0 HA ILE A 55 12.599 7.543 -18.403 1.00 0.00 H new ATOM 0 HB ILE A 55 13.901 5.907 -16.215 1.00 0.00 H new ATOM 0 HG12 ILE A 55 13.138 5.200 -19.076 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.746 5.152 -18.380 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.675 4.814 -16.286 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.509 6.552 -15.940 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.163 5.933 -17.572 1.00 0.00 H new ATOM 0 HD11 ILE A 55 13.775 2.906 -18.501 1.00 0.00 H new ATOM 0 HD12 ILE A 55 14.027 3.389 -16.807 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.394 3.439 -17.513 1.00 0.00 H new ATOM 812 N LYS A 56 12.122 9.341 -16.786 1.00 0.00 N ATOM 813 CA LYS A 56 11.754 10.368 -15.824 1.00 0.00 C ATOM 814 C LYS A 56 10.901 9.753 -14.728 1.00 0.00 C ATOM 815 O LYS A 56 9.910 9.086 -15.004 1.00 0.00 O ATOM 816 CB LYS A 56 11.052 11.508 -16.554 1.00 0.00 C ATOM 817 CG LYS A 56 10.420 12.525 -15.586 1.00 0.00 C ATOM 818 CD LYS A 56 10.804 13.968 -15.915 1.00 0.00 C ATOM 819 CE LYS A 56 9.563 14.855 -15.901 1.00 0.00 C ATOM 820 NZ LYS A 56 9.960 16.278 -15.994 1.00 0.00 N ATOM 0 H LYS A 56 11.513 9.299 -17.603 1.00 0.00 H new ATOM 0 HA LYS A 56 12.638 10.786 -15.343 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.768 12.019 -17.197 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.278 11.098 -17.202 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.335 12.425 -15.618 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.731 12.293 -14.567 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.531 14.334 -15.190 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.281 14.012 -16.894 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.910 14.595 -16.734 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.995 14.686 -14.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.110 16.877 -15.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.566 16.523 -15.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.484 16.435 -16.879 1.00 0.00 H new ATOM 834 N PHE A 57 11.257 10.075 -13.489 1.00 0.00 N ATOM 835 CA PHE A 57 10.593 9.600 -12.283 1.00 0.00 C ATOM 836 C PHE A 57 9.926 10.746 -11.531 1.00 0.00 C ATOM 837 O PHE A 57 8.737 10.707 -11.241 1.00 0.00 O ATOM 838 CB PHE A 57 11.636 8.909 -11.405 1.00 0.00 C ATOM 839 CG PHE A 57 12.594 7.992 -12.145 1.00 0.00 C ATOM 840 CD1 PHE A 57 12.241 6.658 -12.373 1.00 0.00 C ATOM 841 CD2 PHE A 57 13.857 8.447 -12.563 1.00 0.00 C ATOM 842 CE1 PHE A 57 13.111 5.780 -13.039 1.00 0.00 C ATOM 843 CE2 PHE A 57 14.741 7.567 -13.213 1.00 0.00 C ATOM 844 CZ PHE A 57 14.354 6.245 -13.480 1.00 0.00 C ATOM 0 H PHE A 57 12.043 10.695 -13.291 1.00 0.00 H new ATOM 0 HA PHE A 57 9.805 8.896 -12.552 1.00 0.00 H new ATOM 0 HB2 PHE A 57 12.216 9.673 -10.887 1.00 0.00 H new ATOM 0 HB3 PHE A 57 11.119 8.329 -10.641 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.282 6.297 -12.031 1.00 0.00 H new ATOM 0 HD2 PHE A 57 14.148 9.472 -12.385 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.822 4.753 -13.209 1.00 0.00 H new ATOM 0 HE2 PHE A 57 15.722 7.910 -13.508 1.00 0.00 H new ATOM 0 HZ PHE A 57 15.015 5.588 -14.025 1.00 0.00 H new ATOM 854 N GLY A 58 10.710 11.787 -11.237 1.00 0.00 N ATOM 855 CA GLY A 58 10.287 12.952 -10.458 1.00 0.00 C ATOM 856 C GLY A 58 11.126 13.173 -9.203 1.00 0.00 C ATOM 857 O GLY A 58 10.958 14.165 -8.499 1.00 0.00 O ATOM 0 H GLY A 58 11.682 11.843 -11.543 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.344 13.841 -11.086 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.242 12.830 -10.172 1.00 0.00 H new ATOM 861 N LYS A 59 12.029 12.243 -8.895 1.00 0.00 N ATOM 862 CA LYS A 59 12.940 12.346 -7.764 1.00 0.00 C ATOM 863 C LYS A 59 14.235 12.990 -8.194 1.00 0.00 C ATOM 864 O LYS A 59 14.826 12.541 -9.165 1.00 0.00 O ATOM 865 CB LYS A 59 13.155 10.943 -7.202 1.00 0.00 C ATOM 866 CG LYS A 59 11.939 10.501 -6.370 1.00 0.00 C ATOM 867 CD LYS A 59 12.072 10.844 -4.875 1.00 0.00 C ATOM 868 CE LYS A 59 10.993 11.811 -4.385 1.00 0.00 C ATOM 869 NZ LYS A 59 11.557 13.167 -4.171 1.00 0.00 N ATOM 0 H LYS A 59 12.147 11.385 -9.434 1.00 0.00 H new ATOM 0 HA LYS A 59 12.520 12.980 -6.983 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.319 10.240 -8.018 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.052 10.927 -6.582 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.042 10.977 -6.767 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.804 9.425 -6.479 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.021 9.925 -4.291 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.054 11.282 -4.694 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.184 11.860 -5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.562 11.441 -3.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.811 13.879 -4.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.931 13.239 -3.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.325 13.335 -4.852 1.00 0.00 H new ATOM 883 N SER A 60 14.675 13.989 -7.428 1.00 0.00 N ATOM 884 CA SER A 60 15.950 14.676 -7.654 1.00 0.00 C ATOM 885 C SER A 60 17.152 13.762 -7.358 1.00 0.00 C ATOM 886 O SER A 60 18.302 14.159 -7.484 1.00 0.00 O ATOM 887 CB SER A 60 16.017 15.949 -6.798 1.00 0.00 C ATOM 888 OG SER A 60 17.184 16.709 -7.045 1.00 0.00 O ATOM 0 H SER A 60 14.154 14.348 -6.628 1.00 0.00 H new ATOM 0 HA SER A 60 16.003 14.948 -8.708 1.00 0.00 H new ATOM 0 HB2 SER A 60 15.139 16.563 -6.997 1.00 0.00 H new ATOM 0 HB3 SER A 60 15.982 15.676 -5.743 1.00 0.00 H new ATOM 0 HG SER A 60 17.933 16.106 -7.236 1.00 0.00 H new ATOM 894 N ASP A 61 16.912 12.531 -6.904 1.00 0.00 N ATOM 895 CA ASP A 61 17.943 11.547 -6.609 1.00 0.00 C ATOM 896 C ASP A 61 18.249 10.760 -7.870 1.00 0.00 C ATOM 897 O ASP A 61 19.404 10.687 -8.278 1.00 0.00 O ATOM 898 CB ASP A 61 17.507 10.589 -5.490 1.00 0.00 C ATOM 899 CG ASP A 61 16.541 11.246 -4.507 1.00 0.00 C ATOM 900 OD1 ASP A 61 16.977 12.072 -3.683 1.00 0.00 O ATOM 901 OD2 ASP A 61 15.325 11.057 -4.701 1.00 0.00 O ATOM 0 H ASP A 61 15.968 12.186 -6.728 1.00 0.00 H new ATOM 0 HA ASP A 61 18.834 12.072 -6.265 1.00 0.00 H new ATOM 0 HB2 ASP A 61 17.033 9.712 -5.930 1.00 0.00 H new ATOM 0 HB3 ASP A 61 18.387 10.239 -4.951 1.00 0.00 H new ATOM 906 N CYS A 62 17.206 10.183 -8.479 1.00 0.00 N ATOM 907 CA CYS A 62 17.348 9.381 -9.681 1.00 0.00 C ATOM 908 C CYS A 62 17.540 10.276 -10.897 1.00 0.00 C ATOM 909 O CYS A 62 18.233 9.894 -11.830 1.00 0.00 O ATOM 910 CB CYS A 62 16.119 8.497 -9.904 1.00 0.00 C ATOM 911 SG CYS A 62 15.262 7.905 -8.425 1.00 0.00 S ATOM 0 H CYS A 62 16.245 10.264 -8.146 1.00 0.00 H new ATOM 0 HA CYS A 62 18.223 8.745 -9.549 1.00 0.00 H new ATOM 0 HB2 CYS A 62 15.405 9.054 -10.510 1.00 0.00 H new ATOM 0 HB3 CYS A 62 16.426 7.630 -10.489 1.00 0.00 H new ATOM 916 N ASP A 63 16.892 11.446 -10.888 1.00 0.00 N ATOM 917 CA ASP A 63 17.072 12.474 -11.917 1.00 0.00 C ATOM 918 C ASP A 63 18.506 12.983 -11.941 1.00 0.00 C ATOM 919 O ASP A 63 19.068 13.222 -13.010 1.00 0.00 O ATOM 920 CB ASP A 63 16.135 13.652 -11.635 1.00 0.00 C ATOM 921 CG ASP A 63 16.292 14.818 -12.615 1.00 0.00 C ATOM 922 OD1 ASP A 63 16.411 14.552 -13.830 1.00 0.00 O ATOM 923 OD2 ASP A 63 16.156 15.967 -12.140 1.00 0.00 O ATOM 0 H ASP A 63 16.224 11.707 -10.162 1.00 0.00 H new ATOM 0 HA ASP A 63 16.841 12.027 -12.884 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.104 13.299 -11.667 1.00 0.00 H new ATOM 0 HB3 ASP A 63 16.317 14.014 -10.623 1.00 0.00 H new ATOM 928 N ARG A 64 19.117 13.111 -10.755 1.00 0.00 N ATOM 929 CA ARG A 64 20.489 13.560 -10.644 1.00 0.00 C ATOM 930 C ARG A 64 21.430 12.763 -11.546 1.00 0.00 C ATOM 931 O ARG A 64 21.217 11.580 -11.812 1.00 0.00 O ATOM 932 CB ARG A 64 20.934 13.512 -9.183 1.00 0.00 C ATOM 933 CG ARG A 64 22.022 12.483 -8.834 1.00 0.00 C ATOM 934 CD ARG A 64 22.416 12.429 -7.359 1.00 0.00 C ATOM 935 NE ARG A 64 21.713 13.397 -6.514 1.00 0.00 N ATOM 936 CZ ARG A 64 21.993 14.683 -6.409 1.00 0.00 C ATOM 937 NH1 ARG A 64 23.023 15.218 -7.016 1.00 0.00 N ATOM 938 NH2 ARG A 64 21.221 15.458 -5.716 1.00 0.00 N ATOM 0 H ARG A 64 18.670 12.906 -9.862 1.00 0.00 H new ATOM 0 HA ARG A 64 20.537 14.593 -10.990 1.00 0.00 H new ATOM 0 HB2 ARG A 64 21.297 14.501 -8.904 1.00 0.00 H new ATOM 0 HB3 ARG A 64 20.059 13.307 -8.566 1.00 0.00 H new ATOM 0 HG2 ARG A 64 21.676 11.495 -9.138 1.00 0.00 H new ATOM 0 HG3 ARG A 64 22.912 12.704 -9.424 1.00 0.00 H new ATOM 0 HD2 ARG A 64 22.224 11.425 -6.980 1.00 0.00 H new ATOM 0 HD3 ARG A 64 23.489 12.602 -7.275 1.00 0.00 H new ATOM 0 HE ARG A 64 20.936 13.045 -5.955 1.00 0.00 H new ATOM 0 HH11 ARG A 64 23.635 14.638 -7.589 1.00 0.00 H new ATOM 0 HH12 ARG A 64 23.213 16.215 -6.915 1.00 0.00 H new ATOM 0 HH21 ARG A 64 20.398 15.075 -5.252 1.00 0.00 H new ATOM 0 HH22 ARG A 64 21.436 16.452 -5.634 1.00 0.00 H new ATOM 952 N PRO A 65 22.599 13.345 -11.841 1.00 0.00 N ATOM 953 CA PRO A 65 23.611 12.633 -12.586 1.00 0.00 C ATOM 954 C PRO A 65 24.214 11.478 -11.762 1.00 0.00 C ATOM 955 O PRO A 65 24.757 11.733 -10.682 1.00 0.00 O ATOM 956 CB PRO A 65 24.628 13.688 -12.993 1.00 0.00 C ATOM 957 CG PRO A 65 24.410 14.879 -12.053 1.00 0.00 C ATOM 958 CD PRO A 65 23.073 14.638 -11.368 1.00 0.00 C ATOM 0 HA PRO A 65 23.206 12.139 -13.469 1.00 0.00 H new ATOM 0 HB2 PRO A 65 25.644 13.303 -12.905 1.00 0.00 H new ATOM 0 HB3 PRO A 65 24.488 13.983 -14.033 1.00 0.00 H new ATOM 0 HG2 PRO A 65 25.215 14.950 -11.322 1.00 0.00 H new ATOM 0 HG3 PRO A 65 24.400 15.817 -12.608 1.00 0.00 H new ATOM 0 HD2 PRO A 65 23.186 14.638 -10.284 1.00 0.00 H new ATOM 0 HD3 PRO A 65 22.362 15.427 -11.614 1.00 0.00 H new ATOM 966 N PRO A 66 24.126 10.220 -12.224 1.00 0.00 N ATOM 967 CA PRO A 66 24.741 9.075 -11.589 1.00 0.00 C ATOM 968 C PRO A 66 26.254 9.126 -11.708 1.00 0.00 C ATOM 969 O PRO A 66 26.775 9.929 -12.462 1.00 0.00 O ATOM 970 CB PRO A 66 24.153 7.844 -12.277 1.00 0.00 C ATOM 971 CG PRO A 66 23.604 8.327 -13.611 1.00 0.00 C ATOM 972 CD PRO A 66 23.564 9.843 -13.493 1.00 0.00 C ATOM 0 HA PRO A 66 24.535 9.053 -10.519 1.00 0.00 H new ATOM 0 HB2 PRO A 66 24.915 7.078 -12.424 1.00 0.00 H new ATOM 0 HB3 PRO A 66 23.365 7.398 -11.670 1.00 0.00 H new ATOM 0 HG2 PRO A 66 24.241 8.012 -14.438 1.00 0.00 H new ATOM 0 HG3 PRO A 66 22.611 7.919 -13.800 1.00 0.00 H new ATOM 0 HD2 PRO A 66 24.127 10.301 -14.307 1.00 0.00 H new ATOM 0 HD3 PRO A 66 22.538 10.202 -13.574 1.00 0.00 H new ATOM 980 N LYS A 67 26.963 8.271 -10.977 1.00 0.00 N ATOM 981 CA LYS A 67 28.424 8.176 -11.052 1.00 0.00 C ATOM 982 C LYS A 67 28.801 6.720 -11.208 1.00 0.00 C ATOM 983 O LYS A 67 28.256 5.911 -10.491 1.00 0.00 O ATOM 984 CB LYS A 67 29.012 8.813 -9.790 1.00 0.00 C ATOM 985 CG LYS A 67 30.523 8.577 -9.637 1.00 0.00 C ATOM 986 CD LYS A 67 31.346 9.833 -9.867 1.00 0.00 C ATOM 987 CE LYS A 67 32.822 9.444 -10.011 1.00 0.00 C ATOM 988 NZ LYS A 67 33.244 9.475 -11.438 1.00 0.00 N ATOM 0 H LYS A 67 26.543 7.621 -10.313 1.00 0.00 H new ATOM 0 HA LYS A 67 28.828 8.712 -11.911 1.00 0.00 H new ATOM 0 HB2 LYS A 67 28.819 9.886 -9.809 1.00 0.00 H new ATOM 0 HB3 LYS A 67 28.498 8.412 -8.916 1.00 0.00 H new ATOM 0 HG2 LYS A 67 30.726 8.194 -8.637 1.00 0.00 H new ATOM 0 HG3 LYS A 67 30.838 7.808 -10.342 1.00 0.00 H new ATOM 0 HD2 LYS A 67 31.003 10.348 -10.764 1.00 0.00 H new ATOM 0 HD3 LYS A 67 31.219 10.524 -9.034 1.00 0.00 H new ATOM 0 HE2 LYS A 67 33.441 10.128 -9.430 1.00 0.00 H new ATOM 0 HE3 LYS A 67 32.980 8.446 -9.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 34.247 9.208 -11.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 32.667 8.804 -11.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 33.113 10.434 -11.818 1.00 0.00 H new ATOM 1002 N HIS A 68 29.734 6.386 -12.080 1.00 0.00 N ATOM 1003 CA HIS A 68 30.234 5.040 -12.308 1.00 0.00 C ATOM 1004 C HIS A 68 31.701 4.993 -11.907 1.00 0.00 C ATOM 1005 O HIS A 68 32.401 6.013 -11.873 1.00 0.00 O ATOM 1006 CB HIS A 68 30.007 4.667 -13.783 1.00 0.00 C ATOM 1007 CG HIS A 68 30.298 3.230 -14.123 1.00 0.00 C ATOM 1008 ND1 HIS A 68 31.125 2.816 -15.148 1.00 0.00 N ATOM 1009 CD2 HIS A 68 29.798 2.123 -13.490 1.00 0.00 C ATOM 1010 CE1 HIS A 68 31.144 1.465 -15.124 1.00 0.00 C ATOM 1011 NE2 HIS A 68 30.351 1.022 -14.119 1.00 0.00 N ATOM 0 H HIS A 68 30.186 7.078 -12.678 1.00 0.00 H new ATOM 0 HA HIS A 68 29.702 4.306 -11.702 1.00 0.00 H new ATOM 0 HB2 HIS A 68 28.971 4.884 -14.043 1.00 0.00 H new ATOM 0 HB3 HIS A 68 30.633 5.307 -14.405 1.00 0.00 H new ATOM 0 HD2 HIS A 68 29.106 2.112 -12.661 1.00 0.00 H new ATOM 0 HE1 HIS A 68 31.704 0.836 -15.801 1.00 0.00 H new ATOM 0 HE2 HIS A 68 30.190 0.046 -13.869 1.00 0.00 H new ATOM 1020 N SER A 69 32.174 3.780 -11.676 1.00 0.00 N ATOM 1021 CA SER A 69 33.547 3.504 -11.295 1.00 0.00 C ATOM 1022 C SER A 69 33.974 2.136 -11.783 1.00 0.00 C ATOM 1023 O SER A 69 33.165 1.361 -12.298 1.00 0.00 O ATOM 1024 CB SER A 69 33.700 3.616 -9.784 1.00 0.00 C ATOM 1025 OG SER A 69 34.530 4.730 -9.535 1.00 0.00 O ATOM 0 H SER A 69 31.599 2.940 -11.750 1.00 0.00 H new ATOM 0 HA SER A 69 34.197 4.242 -11.765 1.00 0.00 H new ATOM 0 HB2 SER A 69 32.729 3.744 -9.306 1.00 0.00 H new ATOM 0 HB3 SER A 69 34.140 2.708 -9.372 1.00 0.00 H new ATOM 0 HG SER A 69 34.652 4.838 -8.569 1.00 0.00 H new ATOM 1031 N LYS A 70 35.267 1.849 -11.664 1.00 0.00 N ATOM 1032 CA LYS A 70 35.835 0.555 -12.040 1.00 0.00 C ATOM 1033 C LYS A 70 35.754 -0.448 -10.885 1.00 0.00 C ATOM 1034 O LYS A 70 36.771 -0.911 -10.402 1.00 0.00 O ATOM 1035 CB LYS A 70 37.261 0.753 -12.596 1.00 0.00 C ATOM 1036 CG LYS A 70 37.325 0.286 -14.054 1.00 0.00 C ATOM 1037 CD LYS A 70 37.035 1.454 -15.003 1.00 0.00 C ATOM 1038 CE LYS A 70 38.339 2.194 -15.335 1.00 0.00 C ATOM 1039 NZ LYS A 70 38.832 1.826 -16.687 1.00 0.00 N ATOM 0 H LYS A 70 35.955 2.510 -11.302 1.00 0.00 H new ATOM 0 HA LYS A 70 35.241 0.114 -12.841 1.00 0.00 H new ATOM 0 HB2 LYS A 70 37.543 1.804 -12.529 1.00 0.00 H new ATOM 0 HB3 LYS A 70 37.976 0.192 -11.994 1.00 0.00 H new ATOM 0 HG2 LYS A 70 38.311 -0.128 -14.267 1.00 0.00 H new ATOM 0 HG3 LYS A 70 36.602 -0.513 -14.219 1.00 0.00 H new ATOM 0 HD2 LYS A 70 36.573 1.084 -15.919 1.00 0.00 H new ATOM 0 HD3 LYS A 70 36.324 2.140 -14.542 1.00 0.00 H new ATOM 0 HE2 LYS A 70 38.173 3.270 -15.285 1.00 0.00 H new ATOM 0 HE3 LYS A 70 39.097 1.954 -14.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 39.714 2.340 -16.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 39.012 0.802 -16.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 38.116 2.078 -17.398 1.00 0.00 H new ATOM 1053 N ASP A 71 34.538 -0.740 -10.442 1.00 0.00 N ATOM 1054 CA ASP A 71 34.285 -1.668 -9.327 1.00 0.00 C ATOM 1055 C ASP A 71 32.787 -1.890 -9.130 1.00 0.00 C ATOM 1056 O ASP A 71 32.353 -2.993 -8.823 1.00 0.00 O ATOM 1057 CB ASP A 71 34.870 -1.098 -8.015 1.00 0.00 C ATOM 1058 CG ASP A 71 36.039 -1.929 -7.470 1.00 0.00 C ATOM 1059 OD1 ASP A 71 35.847 -3.153 -7.284 1.00 0.00 O ATOM 1060 OD2 ASP A 71 37.093 -1.317 -7.181 1.00 0.00 O ATOM 0 H ASP A 71 33.689 -0.342 -10.843 1.00 0.00 H new ATOM 0 HA ASP A 71 34.763 -2.616 -9.572 1.00 0.00 H new ATOM 0 HB2 ASP A 71 35.207 -0.076 -8.188 1.00 0.00 H new ATOM 0 HB3 ASP A 71 34.083 -1.051 -7.263 1.00 0.00 H new ATOM 1065 N GLY A 72 32.020 -0.809 -9.300 1.00 0.00 N ATOM 1066 CA GLY A 72 30.582 -0.773 -9.127 1.00 0.00 C ATOM 1067 C GLY A 72 30.208 0.316 -8.148 1.00 0.00 C ATOM 1068 O GLY A 72 29.754 1.372 -8.568 1.00 0.00 O ATOM 0 H GLY A 72 32.408 0.094 -9.572 1.00 0.00 H new ATOM 0 HA2 GLY A 72 30.096 -0.594 -10.086 1.00 0.00 H new ATOM 0 HA3 GLY A 72 30.226 -1.738 -8.765 1.00 0.00 H new ATOM 1072 N ASN A 73 30.585 0.142 -6.889 1.00 0.00 N ATOM 1073 CA ASN A 73 30.263 0.973 -5.734 1.00 0.00 C ATOM 1074 C ASN A 73 31.566 1.315 -5.025 1.00 0.00 C ATOM 1075 O ASN A 73 31.786 0.909 -3.886 1.00 0.00 O ATOM 1076 CB ASN A 73 29.320 0.234 -4.764 1.00 0.00 C ATOM 1077 CG ASN A 73 29.636 -1.237 -4.707 1.00 0.00 C ATOM 1078 OD1 ASN A 73 29.419 -1.991 -5.642 1.00 0.00 O ATOM 1079 ND2 ASN A 73 30.216 -1.680 -3.625 1.00 0.00 N ATOM 0 H ASN A 73 31.173 -0.649 -6.626 1.00 0.00 H new ATOM 0 HA ASN A 73 29.753 1.877 -6.067 1.00 0.00 H new ATOM 0 HB2 ASN A 73 29.409 0.666 -3.767 1.00 0.00 H new ATOM 0 HB3 ASN A 73 28.287 0.374 -5.081 1.00 0.00 H new ATOM 0 HD21 ASN A 73 30.490 -2.660 -3.558 1.00 0.00 H new ATOM 0 HD22 ASN A 73 30.395 -1.046 -2.846 1.00 0.00 H new ATOM 1086 N GLY A 74 32.448 2.018 -5.726 1.00 0.00 N ATOM 1087 CA GLY A 74 33.714 2.484 -5.184 1.00 0.00 C ATOM 1088 C GLY A 74 33.524 3.441 -4.007 1.00 0.00 C ATOM 1089 O GLY A 74 33.249 3.035 -2.886 1.00 0.00 O ATOM 0 H GLY A 74 32.300 2.283 -6.700 1.00 0.00 H new ATOM 0 HA2 GLY A 74 34.306 1.627 -4.861 1.00 0.00 H new ATOM 0 HA3 GLY A 74 34.280 2.985 -5.969 1.00 0.00 H new ATOM 1093 N LYS A 75 33.722 4.742 -4.232 1.00 0.00 N ATOM 1094 CA LYS A 75 33.519 5.752 -3.182 1.00 0.00 C ATOM 1095 C LYS A 75 32.055 5.846 -2.753 1.00 0.00 C ATOM 1096 O LYS A 75 31.591 5.163 -1.858 1.00 0.00 O ATOM 1097 CB LYS A 75 34.110 7.094 -3.640 1.00 0.00 C ATOM 1098 CG LYS A 75 35.625 7.134 -3.402 1.00 0.00 C ATOM 1099 CD LYS A 75 36.002 8.447 -2.711 1.00 0.00 C ATOM 1100 CE LYS A 75 37.488 8.449 -2.347 1.00 0.00 C ATOM 1101 NZ LYS A 75 38.094 9.778 -2.596 1.00 0.00 N ATOM 0 H LYS A 75 34.022 5.124 -5.129 1.00 0.00 H new ATOM 0 HA LYS A 75 34.054 5.446 -2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 75 33.900 7.246 -4.699 1.00 0.00 H new ATOM 0 HB3 LYS A 75 33.631 7.910 -3.099 1.00 0.00 H new ATOM 0 HG2 LYS A 75 35.929 6.287 -2.787 1.00 0.00 H new ATOM 0 HG3 LYS A 75 36.155 7.045 -4.350 1.00 0.00 H new ATOM 0 HD2 LYS A 75 35.781 9.288 -3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 75 35.400 8.578 -1.812 1.00 0.00 H new ATOM 0 HE2 LYS A 75 37.609 8.181 -1.297 1.00 0.00 H new ATOM 0 HE3 LYS A 75 38.010 7.692 -2.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 39.102 9.753 -2.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 37.997 10.021 -3.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 37.609 10.494 -2.019 1.00 0.00 H new ATOM 1115 N THR A 76 31.324 6.752 -3.383 1.00 0.00 N ATOM 1116 CA THR A 76 29.899 6.954 -3.127 1.00 0.00 C ATOM 1117 C THR A 76 29.110 6.930 -4.419 1.00 0.00 C ATOM 1118 O THR A 76 27.986 7.413 -4.448 1.00 0.00 O ATOM 1119 CB THR A 76 29.685 8.226 -2.285 1.00 0.00 C ATOM 1120 OG1 THR A 76 28.772 7.914 -1.267 1.00 0.00 O ATOM 1121 CG2 THR A 76 29.155 9.467 -3.021 1.00 0.00 C ATOM 0 H THR A 76 31.704 7.376 -4.095 1.00 0.00 H new ATOM 0 HA THR A 76 29.511 6.126 -2.533 1.00 0.00 H new ATOM 0 HB THR A 76 30.679 8.506 -1.937 1.00 0.00 H new ATOM 0 HG1 THR A 76 28.617 8.707 -0.712 1.00 0.00 H new ATOM 0 HG21 THR A 76 29.049 10.291 -2.315 1.00 0.00 H new ATOM 0 HG22 THR A 76 29.855 9.750 -3.807 1.00 0.00 H new ATOM 0 HG23 THR A 76 28.185 9.241 -3.463 1.00 0.00 H new ATOM 1129 N ASP A 77 29.725 6.451 -5.507 1.00 0.00 N ATOM 1130 CA ASP A 77 29.147 6.380 -6.844 1.00 0.00 C ATOM 1131 C ASP A 77 27.628 6.253 -6.792 1.00 0.00 C ATOM 1132 O ASP A 77 27.126 5.223 -6.409 1.00 0.00 O ATOM 1133 CB ASP A 77 29.733 5.191 -7.608 1.00 0.00 C ATOM 1134 CG ASP A 77 31.240 5.194 -7.780 1.00 0.00 C ATOM 1135 OD1 ASP A 77 31.776 6.108 -8.452 1.00 0.00 O ATOM 1136 OD2 ASP A 77 31.869 4.296 -7.192 1.00 0.00 O ATOM 0 H ASP A 77 30.678 6.089 -5.473 1.00 0.00 H new ATOM 0 HA ASP A 77 29.395 7.308 -7.360 1.00 0.00 H new ATOM 0 HB2 ASP A 77 29.447 4.275 -7.091 1.00 0.00 H new ATOM 0 HB3 ASP A 77 29.274 5.156 -8.596 1.00 0.00 H new ATOM 1141 N HIS A 78 26.869 7.313 -7.044 1.00 0.00 N ATOM 1142 CA HIS A 78 25.424 7.322 -6.812 1.00 0.00 C ATOM 1143 C HIS A 78 24.733 6.963 -8.100 1.00 0.00 C ATOM 1144 O HIS A 78 24.136 7.815 -8.746 1.00 0.00 O ATOM 1145 CB HIS A 78 24.965 8.651 -6.212 1.00 0.00 C ATOM 1146 CG HIS A 78 25.576 9.862 -6.865 1.00 0.00 C ATOM 1147 ND1 HIS A 78 26.865 10.306 -6.740 1.00 0.00 N flip ATOM 1148 CD2 HIS A 78 24.910 10.697 -7.723 1.00 0.00 C flip ATOM 1149 CE1 HIS A 78 26.964 11.455 -7.507 1.00 0.00 C flip ATOM 1150 NE2 HIS A 78 25.757 11.689 -8.060 1.00 0.00 N flip ATOM 0 H HIS A 78 27.234 8.190 -7.414 1.00 0.00 H new ATOM 0 HA HIS A 78 25.151 6.574 -6.068 1.00 0.00 H new ATOM 0 HB2 HIS A 78 23.880 8.718 -6.290 1.00 0.00 H new ATOM 0 HB3 HIS A 78 25.209 8.662 -5.150 1.00 0.00 H new ATOM 0 HD2 HIS A 78 23.893 10.581 -8.066 1.00 0.00 H new ATOM 0 HE1 HIS A 78 27.851 12.057 -7.639 1.00 0.00 H new ATOM 0 HE2 HIS A 78 25.522 12.492 -8.643 1.00 0.00 H new ATOM 1159 N TYR A 79 24.943 5.740 -8.549 1.00 0.00 N ATOM 1160 CA TYR A 79 24.432 5.228 -9.799 1.00 0.00 C ATOM 1161 C TYR A 79 23.117 4.510 -9.582 1.00 0.00 C ATOM 1162 O TYR A 79 22.921 3.861 -8.563 1.00 0.00 O ATOM 1163 CB TYR A 79 25.474 4.333 -10.442 1.00 0.00 C ATOM 1164 CG TYR A 79 26.021 3.220 -9.587 1.00 0.00 C ATOM 1165 CD1 TYR A 79 26.949 3.498 -8.585 1.00 0.00 C ATOM 1166 CD2 TYR A 79 25.576 1.913 -9.747 1.00 0.00 C ATOM 1167 CE1 TYR A 79 27.319 2.535 -7.628 1.00 0.00 C ATOM 1168 CE2 TYR A 79 26.056 0.933 -8.882 1.00 0.00 C ATOM 1169 CZ TYR A 79 26.877 1.221 -7.805 1.00 0.00 C ATOM 1170 OH TYR A 79 27.214 0.198 -6.995 1.00 0.00 O ATOM 0 H TYR A 79 25.494 5.054 -8.032 1.00 0.00 H new ATOM 0 HA TYR A 79 24.231 6.055 -10.480 1.00 0.00 H new ATOM 0 HB2 TYR A 79 25.039 3.892 -11.339 1.00 0.00 H new ATOM 0 HB3 TYR A 79 26.307 4.957 -10.765 1.00 0.00 H new ATOM 0 HD1 TYR A 79 27.397 4.480 -8.542 1.00 0.00 H new ATOM 0 HD2 TYR A 79 24.872 1.662 -10.527 1.00 0.00 H new ATOM 0 HE1 TYR A 79 27.929 2.804 -6.778 1.00 0.00 H new ATOM 0 HE2 TYR A 79 25.776 -0.095 -9.059 1.00 0.00 H new ATOM 0 HH TYR A 79 26.551 0.117 -6.278 1.00 0.00 H new ATOM 1180 N LEU A 80 22.190 4.671 -10.519 1.00 0.00 N ATOM 1181 CA LEU A 80 20.959 3.912 -10.448 1.00 0.00 C ATOM 1182 C LEU A 80 21.225 2.440 -10.718 1.00 0.00 C ATOM 1183 O LEU A 80 22.023 2.136 -11.584 1.00 0.00 O ATOM 1184 CB LEU A 80 19.932 4.501 -11.412 1.00 0.00 C ATOM 1185 CG LEU A 80 19.144 5.646 -10.746 1.00 0.00 C ATOM 1186 CD1 LEU A 80 19.365 6.978 -11.456 1.00 0.00 C ATOM 1187 CD2 LEU A 80 17.665 5.279 -10.686 1.00 0.00 C ATOM 0 H LEU A 80 22.267 5.304 -11.315 1.00 0.00 H new ATOM 0 HA LEU A 80 20.546 3.981 -9.442 1.00 0.00 H new ATOM 0 HB2 LEU A 80 20.436 4.872 -12.304 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.243 3.721 -11.737 1.00 0.00 H new ATOM 0 HG LEU A 80 19.515 5.777 -9.730 1.00 0.00 H new ATOM 0 HD11 LEU A 80 18.791 7.757 -10.954 1.00 0.00 H new ATOM 0 HD12 LEU A 80 20.424 7.233 -11.430 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.037 6.897 -12.492 1.00 0.00 H new ATOM 0 HD21 LEU A 80 17.108 6.089 -10.215 1.00 0.00 H new ATOM 0 HD22 LEU A 80 17.288 5.119 -11.696 1.00 0.00 H new ATOM 0 HD23 LEU A 80 17.540 4.366 -10.104 1.00 0.00 H new ATOM 1199 N LEU A 81 20.565 1.532 -10.018 1.00 0.00 N ATOM 1200 CA LEU A 81 20.662 0.102 -10.224 1.00 0.00 C ATOM 1201 C LEU A 81 19.280 -0.505 -10.365 1.00 0.00 C ATOM 1202 O LEU A 81 18.336 -0.088 -9.691 1.00 0.00 O ATOM 1203 CB LEU A 81 21.404 -0.537 -9.044 1.00 0.00 C ATOM 1204 CG LEU A 81 22.908 -0.226 -9.015 1.00 0.00 C ATOM 1205 CD1 LEU A 81 23.313 0.561 -7.761 1.00 0.00 C ATOM 1206 CD2 LEU A 81 23.766 -1.482 -9.134 1.00 0.00 C ATOM 0 H LEU A 81 19.925 1.783 -9.264 1.00 0.00 H new ATOM 0 HA LEU A 81 21.217 -0.089 -11.142 1.00 0.00 H new ATOM 0 HB2 LEU A 81 20.953 -0.192 -8.114 1.00 0.00 H new ATOM 0 HB3 LEU A 81 21.267 -1.618 -9.083 1.00 0.00 H new ATOM 0 HG LEU A 81 23.094 0.397 -9.890 1.00 0.00 H new ATOM 0 HD11 LEU A 81 24.385 0.757 -7.785 1.00 0.00 H new ATOM 0 HD12 LEU A 81 22.771 1.507 -7.734 1.00 0.00 H new ATOM 0 HD13 LEU A 81 23.071 -0.021 -6.872 1.00 0.00 H new ATOM 0 HD21 LEU A 81 24.820 -1.206 -9.108 1.00 0.00 H new ATOM 0 HD22 LEU A 81 23.546 -2.153 -8.304 1.00 0.00 H new ATOM 0 HD23 LEU A 81 23.546 -1.985 -10.075 1.00 0.00 H new ATOM 1218 N GLU A 82 19.172 -1.504 -11.235 1.00 0.00 N ATOM 1219 CA GLU A 82 17.939 -2.223 -11.459 1.00 0.00 C ATOM 1220 C GLU A 82 17.987 -3.621 -10.840 1.00 0.00 C ATOM 1221 O GLU A 82 19.031 -4.285 -10.765 1.00 0.00 O ATOM 1222 CB GLU A 82 17.578 -2.252 -12.949 1.00 0.00 C ATOM 1223 CG GLU A 82 18.397 -3.216 -13.772 1.00 0.00 C ATOM 1224 CD GLU A 82 19.705 -2.562 -14.157 1.00 0.00 C ATOM 1225 OE1 GLU A 82 20.616 -2.682 -13.335 1.00 0.00 O ATOM 1226 OE2 GLU A 82 19.810 -2.135 -15.322 1.00 0.00 O ATOM 0 H GLU A 82 19.950 -1.835 -11.806 1.00 0.00 H new ATOM 0 HA GLU A 82 17.138 -1.686 -10.951 1.00 0.00 H new ATOM 0 HB2 GLU A 82 16.524 -2.512 -13.050 1.00 0.00 H new ATOM 0 HB3 GLU A 82 17.700 -1.249 -13.359 1.00 0.00 H new ATOM 0 HG2 GLU A 82 18.586 -4.127 -13.204 1.00 0.00 H new ATOM 0 HG3 GLU A 82 17.846 -3.507 -14.666 1.00 0.00 H new ATOM 1233 N PHE A 83 16.810 -4.142 -10.508 1.00 0.00 N ATOM 1234 CA PHE A 83 16.688 -5.458 -9.912 1.00 0.00 C ATOM 1235 C PHE A 83 15.453 -6.212 -10.406 1.00 0.00 C ATOM 1236 O PHE A 83 14.366 -5.637 -10.406 1.00 0.00 O ATOM 1237 CB PHE A 83 16.655 -5.320 -8.397 1.00 0.00 C ATOM 1238 CG PHE A 83 17.052 -6.563 -7.666 1.00 0.00 C ATOM 1239 CD1 PHE A 83 18.287 -7.151 -7.950 1.00 0.00 C ATOM 1240 CD2 PHE A 83 16.188 -7.142 -6.723 1.00 0.00 C ATOM 1241 CE1 PHE A 83 18.696 -8.295 -7.268 1.00 0.00 C ATOM 1242 CE2 PHE A 83 16.607 -8.292 -6.038 1.00 0.00 C ATOM 1243 CZ PHE A 83 17.875 -8.819 -6.281 1.00 0.00 C ATOM 0 H PHE A 83 15.920 -3.662 -10.646 1.00 0.00 H new ATOM 0 HA PHE A 83 17.554 -6.045 -10.216 1.00 0.00 H new ATOM 0 HB2 PHE A 83 17.320 -4.508 -8.101 1.00 0.00 H new ATOM 0 HB3 PHE A 83 15.649 -5.035 -8.090 1.00 0.00 H new ATOM 0 HD1 PHE A 83 18.928 -6.716 -8.702 1.00 0.00 H new ATOM 0 HD2 PHE A 83 15.218 -6.709 -6.528 1.00 0.00 H new ATOM 0 HE1 PHE A 83 19.638 -8.767 -7.505 1.00 0.00 H new ATOM 0 HE2 PHE A 83 15.950 -8.768 -5.325 1.00 0.00 H new ATOM 0 HZ PHE A 83 18.225 -9.652 -5.689 1.00 0.00 H new ATOM 1253 N PRO A 84 15.593 -7.461 -10.872 1.00 0.00 N ATOM 1254 CA PRO A 84 14.497 -8.277 -11.346 1.00 0.00 C ATOM 1255 C PRO A 84 13.636 -8.749 -10.180 1.00 0.00 C ATOM 1256 O PRO A 84 13.933 -9.736 -9.512 1.00 0.00 O ATOM 1257 CB PRO A 84 15.134 -9.417 -12.121 1.00 0.00 C ATOM 1258 CG PRO A 84 16.576 -9.506 -11.664 1.00 0.00 C ATOM 1259 CD PRO A 84 16.824 -8.213 -10.905 1.00 0.00 C ATOM 0 HA PRO A 84 13.816 -7.725 -11.994 1.00 0.00 H new ATOM 0 HB2 PRO A 84 14.610 -10.354 -11.931 1.00 0.00 H new ATOM 0 HB3 PRO A 84 15.079 -9.233 -13.194 1.00 0.00 H new ATOM 0 HG2 PRO A 84 16.736 -10.376 -11.027 1.00 0.00 H new ATOM 0 HG3 PRO A 84 17.254 -9.603 -12.512 1.00 0.00 H new ATOM 0 HD2 PRO A 84 17.165 -8.427 -9.892 1.00 0.00 H new ATOM 0 HD3 PRO A 84 17.610 -7.633 -11.390 1.00 0.00 H new ATOM 1267 N THR A 85 12.586 -7.987 -9.907 1.00 0.00 N ATOM 1268 CA THR A 85 11.621 -8.258 -8.847 1.00 0.00 C ATOM 1269 C THR A 85 10.374 -8.901 -9.433 1.00 0.00 C ATOM 1270 O THR A 85 9.662 -8.331 -10.258 1.00 0.00 O ATOM 1271 CB THR A 85 11.285 -6.985 -8.066 1.00 0.00 C ATOM 1272 OG1 THR A 85 10.200 -7.199 -7.192 1.00 0.00 O ATOM 1273 CG2 THR A 85 10.943 -5.789 -8.965 1.00 0.00 C ATOM 0 H THR A 85 12.375 -7.138 -10.431 1.00 0.00 H new ATOM 0 HA THR A 85 12.066 -8.957 -8.139 1.00 0.00 H new ATOM 0 HB THR A 85 12.191 -6.746 -7.509 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.469 -6.589 -7.423 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.715 -4.922 -8.346 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.793 -5.562 -9.608 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.077 -6.032 -9.581 1.00 0.00 H new ATOM 1281 N PHE A 86 10.151 -10.157 -9.078 1.00 0.00 N ATOM 1282 CA PHE A 86 8.992 -10.899 -9.542 1.00 0.00 C ATOM 1283 C PHE A 86 7.740 -10.580 -8.720 1.00 0.00 C ATOM 1284 O PHE A 86 7.836 -10.186 -7.554 1.00 0.00 O ATOM 1285 CB PHE A 86 9.307 -12.386 -9.464 1.00 0.00 C ATOM 1286 CG PHE A 86 10.605 -12.727 -10.133 1.00 0.00 C ATOM 1287 CD1 PHE A 86 10.755 -12.601 -11.525 1.00 0.00 C ATOM 1288 CD2 PHE A 86 11.670 -13.166 -9.344 1.00 0.00 C ATOM 1289 CE1 PHE A 86 11.967 -12.965 -12.123 1.00 0.00 C ATOM 1290 CE2 PHE A 86 12.843 -13.590 -9.958 1.00 0.00 C ATOM 1291 CZ PHE A 86 13.023 -13.441 -11.333 1.00 0.00 C ATOM 0 H PHE A 86 10.767 -10.688 -8.462 1.00 0.00 H new ATOM 0 HA PHE A 86 8.780 -10.607 -10.570 1.00 0.00 H new ATOM 0 HB2 PHE A 86 9.348 -12.692 -8.419 1.00 0.00 H new ATOM 0 HB3 PHE A 86 8.500 -12.951 -9.931 1.00 0.00 H new ATOM 0 HD1 PHE A 86 9.941 -12.226 -12.128 1.00 0.00 H new ATOM 0 HD2 PHE A 86 11.583 -13.176 -8.268 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.089 -12.879 -13.193 1.00 0.00 H new ATOM 0 HE2 PHE A 86 13.624 -14.040 -9.363 1.00 0.00 H new ATOM 0 HZ PHE A 86 13.971 -13.691 -11.787 1.00 0.00 H new ATOM 1301 N PRO A 87 6.545 -10.828 -9.279 1.00 0.00 N ATOM 1302 CA PRO A 87 5.296 -10.596 -8.574 1.00 0.00 C ATOM 1303 C PRO A 87 4.976 -11.645 -7.537 1.00 0.00 C ATOM 1304 O PRO A 87 4.494 -11.260 -6.475 1.00 0.00 O ATOM 1305 CB PRO A 87 4.197 -10.647 -9.612 1.00 0.00 C ATOM 1306 CG PRO A 87 4.804 -11.303 -10.850 1.00 0.00 C ATOM 1307 CD PRO A 87 6.308 -11.353 -10.614 1.00 0.00 C ATOM 0 HA PRO A 87 5.381 -9.642 -8.054 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.345 -11.220 -9.247 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.833 -9.646 -9.842 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.400 -12.305 -10.997 1.00 0.00 H new ATOM 0 HG3 PRO A 87 4.570 -10.730 -11.748 1.00 0.00 H new ATOM 0 HD2 PRO A 87 6.678 -12.375 -10.698 1.00 0.00 H new ATOM 0 HD3 PRO A 87 6.836 -10.760 -11.361 1.00 0.00 H new ATOM 1315 N ASP A 88 5.257 -12.925 -7.841 1.00 0.00 N ATOM 1316 CA ASP A 88 5.112 -14.058 -6.914 1.00 0.00 C ATOM 1317 C ASP A 88 5.585 -13.660 -5.509 1.00 0.00 C ATOM 1318 O ASP A 88 4.959 -13.980 -4.503 1.00 0.00 O ATOM 1319 CB ASP A 88 5.900 -15.255 -7.467 1.00 0.00 C ATOM 1320 CG ASP A 88 6.110 -16.366 -6.444 1.00 0.00 C ATOM 1321 OD1 ASP A 88 6.844 -16.078 -5.484 1.00 0.00 O ATOM 1322 OD2 ASP A 88 5.790 -17.521 -6.766 1.00 0.00 O ATOM 0 H ASP A 88 5.599 -13.205 -8.760 1.00 0.00 H new ATOM 0 HA ASP A 88 4.063 -14.343 -6.829 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.372 -15.661 -8.330 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.871 -14.909 -7.821 1.00 0.00 H new ATOM 1327 N GLY A 89 6.657 -12.870 -5.471 1.00 0.00 N ATOM 1328 CA GLY A 89 7.289 -12.401 -4.265 1.00 0.00 C ATOM 1329 C GLY A 89 8.545 -13.162 -3.933 1.00 0.00 C ATOM 1330 O GLY A 89 9.249 -12.760 -3.004 1.00 0.00 O ATOM 0 H GLY A 89 7.117 -12.534 -6.317 1.00 0.00 H new ATOM 0 HA2 GLY A 89 7.528 -11.343 -4.373 1.00 0.00 H new ATOM 0 HA3 GLY A 89 6.587 -12.486 -3.435 1.00 0.00 H new ATOM 1334 N HIS A 90 8.807 -14.234 -4.683 1.00 0.00 N ATOM 1335 CA HIS A 90 9.994 -15.044 -4.525 1.00 0.00 C ATOM 1336 C HIS A 90 11.202 -14.173 -4.826 1.00 0.00 C ATOM 1337 O HIS A 90 11.315 -13.568 -5.892 1.00 0.00 O ATOM 1338 CB HIS A 90 9.925 -16.338 -5.356 1.00 0.00 C ATOM 1339 CG HIS A 90 10.100 -16.188 -6.848 1.00 0.00 C ATOM 1340 ND1 HIS A 90 9.104 -16.304 -7.796 1.00 0.00 N ATOM 1341 CD2 HIS A 90 11.281 -15.951 -7.490 1.00 0.00 C ATOM 1342 CE1 HIS A 90 9.670 -16.097 -9.005 1.00 0.00 C ATOM 1343 NE2 HIS A 90 10.994 -15.905 -8.840 1.00 0.00 N ATOM 0 H HIS A 90 8.186 -14.560 -5.424 1.00 0.00 H new ATOM 0 HA HIS A 90 10.080 -15.399 -3.498 1.00 0.00 H new ATOM 0 HB2 HIS A 90 10.691 -17.021 -4.989 1.00 0.00 H new ATOM 0 HB3 HIS A 90 8.961 -16.812 -5.171 1.00 0.00 H new ATOM 0 HD2 HIS A 90 12.251 -15.824 -7.032 1.00 0.00 H new ATOM 0 HE1 HIS A 90 9.147 -16.087 -9.950 1.00 0.00 H new ATOM 0 HE2 HIS A 90 11.671 -15.751 -9.587 1.00 0.00 H new ATOM 1352 N ASP A 91 12.101 -14.098 -3.865 1.00 0.00 N ATOM 1353 CA ASP A 91 13.380 -13.460 -4.064 1.00 0.00 C ATOM 1354 C ASP A 91 14.142 -14.230 -5.141 1.00 0.00 C ATOM 1355 O ASP A 91 14.327 -15.442 -5.035 1.00 0.00 O ATOM 1356 CB ASP A 91 14.082 -13.426 -2.716 1.00 0.00 C ATOM 1357 CG ASP A 91 15.524 -13.006 -2.844 1.00 0.00 C ATOM 1358 OD1 ASP A 91 16.403 -13.863 -2.999 1.00 0.00 O ATOM 1359 OD2 ASP A 91 15.708 -11.780 -2.721 1.00 0.00 O ATOM 0 H ASP A 91 11.963 -14.477 -2.928 1.00 0.00 H new ATOM 0 HA ASP A 91 13.297 -12.433 -4.419 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.560 -12.736 -2.052 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.031 -14.412 -2.255 1.00 0.00 H new ATOM 1364 N TYR A 92 14.424 -13.555 -6.256 1.00 0.00 N ATOM 1365 CA TYR A 92 15.274 -14.076 -7.313 1.00 0.00 C ATOM 1366 C TYR A 92 16.542 -14.747 -6.775 1.00 0.00 C ATOM 1367 O TYR A 92 17.109 -14.377 -5.772 1.00 0.00 O ATOM 1368 CB TYR A 92 15.651 -12.913 -8.243 1.00 0.00 C ATOM 1369 CG TYR A 92 16.581 -13.301 -9.376 1.00 0.00 C ATOM 1370 CD1 TYR A 92 16.269 -14.375 -10.232 1.00 0.00 C ATOM 1371 CD2 TYR A 92 17.800 -12.624 -9.532 1.00 0.00 C ATOM 1372 CE1 TYR A 92 17.147 -14.730 -11.264 1.00 0.00 C ATOM 1373 CE2 TYR A 92 18.707 -13.010 -10.526 1.00 0.00 C ATOM 1374 CZ TYR A 92 18.359 -14.037 -11.419 1.00 0.00 C ATOM 1375 OH TYR A 92 19.127 -14.243 -12.514 1.00 0.00 O ATOM 0 H TYR A 92 14.062 -12.621 -6.447 1.00 0.00 H new ATOM 0 HA TYR A 92 14.720 -14.846 -7.850 1.00 0.00 H new ATOM 0 HB2 TYR A 92 14.740 -12.489 -8.665 1.00 0.00 H new ATOM 0 HB3 TYR A 92 16.124 -12.128 -7.652 1.00 0.00 H new ATOM 0 HD1 TYR A 92 15.351 -14.926 -10.092 1.00 0.00 H new ATOM 0 HD2 TYR A 92 18.041 -11.798 -8.879 1.00 0.00 H new ATOM 0 HE1 TYR A 92 16.893 -15.534 -11.939 1.00 0.00 H new ATOM 0 HE2 TYR A 92 19.667 -12.522 -10.606 1.00 0.00 H new ATOM 0 HH TYR A 92 20.023 -13.879 -12.358 1.00 0.00 H new ATOM 1385 N LYS A 93 17.106 -15.673 -7.528 1.00 0.00 N ATOM 1386 CA LYS A 93 18.332 -16.367 -7.179 1.00 0.00 C ATOM 1387 C LYS A 93 19.531 -15.613 -7.735 1.00 0.00 C ATOM 1388 O LYS A 93 20.209 -16.075 -8.648 1.00 0.00 O ATOM 1389 CB LYS A 93 18.236 -17.835 -7.588 1.00 0.00 C ATOM 1390 CG LYS A 93 17.461 -18.017 -8.901 1.00 0.00 C ATOM 1391 CD LYS A 93 17.549 -19.469 -9.349 1.00 0.00 C ATOM 1392 CE LYS A 93 16.327 -20.265 -8.888 1.00 0.00 C ATOM 1393 NZ LYS A 93 16.710 -21.205 -7.818 1.00 0.00 N ATOM 0 H LYS A 93 16.715 -15.971 -8.422 1.00 0.00 H new ATOM 0 HA LYS A 93 18.480 -16.382 -6.099 1.00 0.00 H new ATOM 0 HB2 LYS A 93 19.239 -18.247 -7.699 1.00 0.00 H new ATOM 0 HB3 LYS A 93 17.745 -18.401 -6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.418 -17.731 -8.762 1.00 0.00 H new ATOM 0 HG3 LYS A 93 17.871 -17.363 -9.671 1.00 0.00 H new ATOM 0 HD2 LYS A 93 17.626 -19.513 -10.435 1.00 0.00 H new ATOM 0 HD3 LYS A 93 18.455 -19.922 -8.946 1.00 0.00 H new ATOM 0 HE2 LYS A 93 15.555 -19.585 -8.527 1.00 0.00 H new ATOM 0 HE3 LYS A 93 15.901 -20.813 -9.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.873 -21.741 -7.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 17.431 -21.863 -8.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.096 -20.674 -7.011 1.00 0.00 H new ATOM 1407 N PHE A 94 19.762 -14.422 -7.208 1.00 0.00 N ATOM 1408 CA PHE A 94 20.926 -13.618 -7.542 1.00 0.00 C ATOM 1409 C PHE A 94 22.182 -14.036 -6.792 1.00 0.00 C ATOM 1410 O PHE A 94 23.257 -13.565 -7.137 1.00 0.00 O ATOM 1411 CB PHE A 94 20.630 -12.148 -7.298 1.00 0.00 C ATOM 1412 CG PHE A 94 19.955 -11.880 -5.983 1.00 0.00 C ATOM 1413 CD1 PHE A 94 18.563 -11.943 -5.925 1.00 0.00 C ATOM 1414 CD2 PHE A 94 20.695 -11.652 -4.813 1.00 0.00 C ATOM 1415 CE1 PHE A 94 17.896 -11.727 -4.723 1.00 0.00 C ATOM 1416 CE2 PHE A 94 20.027 -11.445 -3.593 1.00 0.00 C ATOM 1417 CZ PHE A 94 18.623 -11.471 -3.549 1.00 0.00 C ATOM 0 H PHE A 94 19.141 -13.982 -6.530 1.00 0.00 H new ATOM 0 HA PHE A 94 21.130 -13.785 -8.600 1.00 0.00 H new ATOM 0 HB2 PHE A 94 21.563 -11.587 -7.339 1.00 0.00 H new ATOM 0 HB3 PHE A 94 19.998 -11.775 -8.104 1.00 0.00 H new ATOM 0 HD1 PHE A 94 17.999 -12.161 -6.820 1.00 0.00 H new ATOM 0 HD2 PHE A 94 21.774 -11.636 -4.849 1.00 0.00 H new ATOM 0 HE1 PHE A 94 16.817 -11.756 -4.693 1.00 0.00 H new ATOM 0 HE2 PHE A 94 20.593 -11.266 -2.691 1.00 0.00 H new ATOM 0 HZ PHE A 94 18.106 -11.295 -2.617 1.00 0.00 H new ATOM 1427 N ASP A 95 22.067 -14.962 -5.849 1.00 0.00 N ATOM 1428 CA ASP A 95 23.189 -15.450 -5.048 1.00 0.00 C ATOM 1429 C ASP A 95 23.837 -16.664 -5.710 1.00 0.00 C ATOM 1430 O ASP A 95 25.056 -16.833 -5.740 1.00 0.00 O ATOM 1431 CB ASP A 95 22.661 -15.848 -3.655 1.00 0.00 C ATOM 1432 CG ASP A 95 23.040 -14.877 -2.535 1.00 0.00 C ATOM 1433 OD1 ASP A 95 23.846 -13.952 -2.793 1.00 0.00 O ATOM 1434 OD2 ASP A 95 22.512 -15.095 -1.425 1.00 0.00 O ATOM 0 H ASP A 95 21.179 -15.404 -5.613 1.00 0.00 H new ATOM 0 HA ASP A 95 23.939 -14.663 -4.963 1.00 0.00 H new ATOM 0 HB2 ASP A 95 21.575 -15.926 -3.700 1.00 0.00 H new ATOM 0 HB3 ASP A 95 23.041 -16.838 -3.405 1.00 0.00 H new ATOM 1439 N SER A 96 23.003 -17.524 -6.295 1.00 0.00 N ATOM 1440 CA SER A 96 23.468 -18.718 -6.983 1.00 0.00 C ATOM 1441 C SER A 96 23.759 -18.377 -8.434 1.00 0.00 C ATOM 1442 O SER A 96 22.842 -18.172 -9.223 1.00 0.00 O ATOM 1443 CB SER A 96 22.441 -19.841 -6.888 1.00 0.00 C ATOM 1444 OG SER A 96 22.203 -20.173 -5.535 1.00 0.00 O ATOM 0 H SER A 96 21.990 -17.409 -6.303 1.00 0.00 H new ATOM 0 HA SER A 96 24.382 -19.070 -6.504 1.00 0.00 H new ATOM 0 HB2 SER A 96 21.510 -19.533 -7.363 1.00 0.00 H new ATOM 0 HB3 SER A 96 22.799 -20.718 -7.427 1.00 0.00 H new ATOM 0 HG SER A 96 21.541 -20.894 -5.487 1.00 0.00 H new ATOM 1450 N LYS A 97 25.045 -18.309 -8.796 1.00 0.00 N ATOM 1451 CA LYS A 97 25.449 -18.041 -10.183 1.00 0.00 C ATOM 1452 C LYS A 97 24.880 -19.086 -11.138 1.00 0.00 C ATOM 1453 O LYS A 97 24.396 -18.763 -12.215 1.00 0.00 O ATOM 1454 CB LYS A 97 26.978 -17.928 -10.288 1.00 0.00 C ATOM 1455 CG LYS A 97 27.686 -19.276 -10.523 1.00 0.00 C ATOM 1456 CD LYS A 97 29.185 -19.164 -10.699 1.00 0.00 C ATOM 1457 CE LYS A 97 29.818 -18.687 -9.397 1.00 0.00 C ATOM 1458 NZ LYS A 97 31.233 -19.106 -9.341 1.00 0.00 N ATOM 0 H LYS A 97 25.824 -18.436 -8.150 1.00 0.00 H new ATOM 0 HA LYS A 97 25.029 -17.081 -10.485 1.00 0.00 H new ATOM 0 HB2 LYS A 97 27.228 -17.250 -11.104 1.00 0.00 H new ATOM 0 HB3 LYS A 97 27.364 -17.480 -9.372 1.00 0.00 H new ATOM 0 HG2 LYS A 97 27.478 -19.935 -9.680 1.00 0.00 H new ATOM 0 HG3 LYS A 97 27.261 -19.748 -11.409 1.00 0.00 H new ATOM 0 HD2 LYS A 97 29.601 -20.130 -10.985 1.00 0.00 H new ATOM 0 HD3 LYS A 97 29.416 -18.467 -11.504 1.00 0.00 H new ATOM 0 HE2 LYS A 97 29.748 -17.602 -9.325 1.00 0.00 H new ATOM 0 HE3 LYS A 97 29.274 -19.098 -8.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 31.657 -18.777 -8.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 31.290 -20.143 -9.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 31.749 -18.693 -10.144 1.00 0.00 H new ATOM 1472 N LYS A 98 25.010 -20.359 -10.753 1.00 0.00 N ATOM 1473 CA LYS A 98 24.566 -21.505 -11.512 1.00 0.00 C ATOM 1474 C LYS A 98 23.999 -22.571 -10.561 1.00 0.00 C ATOM 1475 O LYS A 98 24.688 -22.953 -9.617 1.00 0.00 O ATOM 1476 CB LYS A 98 25.644 -21.997 -12.487 1.00 0.00 C ATOM 1477 CG LYS A 98 25.431 -23.446 -12.960 1.00 0.00 C ATOM 1478 CD LYS A 98 26.202 -24.430 -12.066 1.00 0.00 C ATOM 1479 CE LYS A 98 26.584 -25.689 -12.840 1.00 0.00 C ATOM 1480 NZ LYS A 98 25.751 -26.846 -12.437 1.00 0.00 N ATOM 0 H LYS A 98 25.446 -20.617 -9.868 1.00 0.00 H new ATOM 0 HA LYS A 98 23.742 -21.221 -12.166 1.00 0.00 H new ATOM 0 HB2 LYS A 98 25.664 -21.339 -13.356 1.00 0.00 H new ATOM 0 HB3 LYS A 98 26.619 -21.920 -12.006 1.00 0.00 H new ATOM 0 HG2 LYS A 98 24.368 -23.687 -12.942 1.00 0.00 H new ATOM 0 HG3 LYS A 98 25.763 -23.549 -13.993 1.00 0.00 H new ATOM 0 HD2 LYS A 98 27.101 -23.949 -11.681 1.00 0.00 H new ATOM 0 HD3 LYS A 98 25.591 -24.700 -11.205 1.00 0.00 H new ATOM 0 HE2 LYS A 98 26.468 -25.510 -13.909 1.00 0.00 H new ATOM 0 HE3 LYS A 98 27.636 -25.919 -12.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 26.036 -27.685 -12.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 25.882 -27.031 -11.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 24.750 -26.635 -12.624 1.00 0.00 H new ATOM 1494 N PRO A 99 22.811 -23.112 -10.879 1.00 0.00 N ATOM 1495 CA PRO A 99 21.967 -22.603 -11.955 1.00 0.00 C ATOM 1496 C PRO A 99 21.414 -21.222 -11.595 1.00 0.00 C ATOM 1497 O PRO A 99 21.625 -20.728 -10.491 1.00 0.00 O ATOM 1498 CB PRO A 99 20.892 -23.644 -12.192 1.00 0.00 C ATOM 1499 CG PRO A 99 20.845 -24.460 -10.900 1.00 0.00 C ATOM 1500 CD PRO A 99 22.121 -24.132 -10.114 1.00 0.00 C ATOM 0 HA PRO A 99 22.525 -22.452 -12.879 1.00 0.00 H new ATOM 0 HB2 PRO A 99 19.929 -23.178 -12.400 1.00 0.00 H new ATOM 0 HB3 PRO A 99 21.133 -24.273 -13.049 1.00 0.00 H new ATOM 0 HG2 PRO A 99 19.958 -24.209 -10.318 1.00 0.00 H new ATOM 0 HG3 PRO A 99 20.791 -25.526 -11.119 1.00 0.00 H new ATOM 0 HD2 PRO A 99 21.881 -23.773 -9.113 1.00 0.00 H new ATOM 0 HD3 PRO A 99 22.744 -25.018 -9.994 1.00 0.00 H new ATOM 1508 N LYS A 100 20.741 -20.594 -12.552 1.00 0.00 N ATOM 1509 CA LYS A 100 20.115 -19.287 -12.374 1.00 0.00 C ATOM 1510 C LYS A 100 18.746 -19.287 -13.025 1.00 0.00 C ATOM 1511 O LYS A 100 18.516 -20.035 -13.973 1.00 0.00 O ATOM 1512 CB LYS A 100 21.043 -18.194 -12.926 1.00 0.00 C ATOM 1513 CG LYS A 100 20.800 -17.862 -14.406 1.00 0.00 C ATOM 1514 CD LYS A 100 21.819 -16.841 -14.931 1.00 0.00 C ATOM 1515 CE LYS A 100 21.206 -15.440 -14.918 1.00 0.00 C ATOM 1516 NZ LYS A 100 20.261 -15.275 -16.052 1.00 0.00 N ATOM 0 H LYS A 100 20.612 -20.983 -13.486 1.00 0.00 H new ATOM 0 HA LYS A 100 19.964 -19.073 -11.316 1.00 0.00 H new ATOM 0 HB2 LYS A 100 20.913 -17.288 -12.334 1.00 0.00 H new ATOM 0 HB3 LYS A 100 22.078 -18.512 -12.800 1.00 0.00 H new ATOM 0 HG2 LYS A 100 20.860 -18.775 -14.999 1.00 0.00 H new ATOM 0 HG3 LYS A 100 19.792 -17.467 -14.530 1.00 0.00 H new ATOM 0 HD2 LYS A 100 22.717 -16.860 -14.314 1.00 0.00 H new ATOM 0 HD3 LYS A 100 22.123 -17.105 -15.944 1.00 0.00 H new ATOM 0 HE2 LYS A 100 20.685 -15.274 -13.975 1.00 0.00 H new ATOM 0 HE3 LYS A 100 21.995 -14.691 -14.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 20.024 -14.268 -16.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 20.703 -15.624 -16.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 19.394 -15.816 -15.863 1.00 0.00 H new ATOM 1530 N GLU A 101 17.864 -18.428 -12.544 1.00 0.00 N ATOM 1531 CA GLU A 101 16.525 -18.317 -13.108 1.00 0.00 C ATOM 1532 C GLU A 101 16.461 -17.146 -14.087 1.00 0.00 C ATOM 1533 O GLU A 101 17.404 -16.347 -14.226 1.00 0.00 O ATOM 1534 CB GLU A 101 15.485 -18.254 -11.980 1.00 0.00 C ATOM 1535 CG GLU A 101 14.056 -18.450 -12.487 1.00 0.00 C ATOM 1536 CD GLU A 101 13.190 -19.079 -11.401 1.00 0.00 C ATOM 1537 OE1 GLU A 101 13.235 -18.555 -10.264 1.00 0.00 O ATOM 1538 OE2 GLU A 101 12.570 -20.111 -11.714 1.00 0.00 O ATOM 0 H GLU A 101 18.048 -17.796 -11.765 1.00 0.00 H new ATOM 0 HA GLU A 101 16.282 -19.205 -13.692 1.00 0.00 H new ATOM 0 HB2 GLU A 101 15.712 -19.020 -11.238 1.00 0.00 H new ATOM 0 HB3 GLU A 101 15.559 -17.290 -11.476 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.635 -17.491 -12.787 1.00 0.00 H new ATOM 0 HG3 GLU A 101 14.061 -19.087 -13.372 1.00 0.00 H new ATOM 1545 N ASN A 102 15.344 -17.058 -14.803 1.00 0.00 N ATOM 1546 CA ASN A 102 15.069 -15.928 -15.658 1.00 0.00 C ATOM 1547 C ASN A 102 15.183 -14.611 -14.885 1.00 0.00 C ATOM 1548 O ASN A 102 14.815 -14.558 -13.719 1.00 0.00 O ATOM 1549 CB ASN A 102 13.681 -16.063 -16.287 1.00 0.00 C ATOM 1550 CG ASN A 102 13.803 -16.497 -17.727 1.00 0.00 C ATOM 1551 OD1 ASN A 102 14.302 -15.765 -18.565 1.00 0.00 O ATOM 1552 ND2 ASN A 102 13.409 -17.710 -18.022 1.00 0.00 N ATOM 0 H ASN A 102 14.613 -17.769 -14.801 1.00 0.00 H new ATOM 0 HA ASN A 102 15.814 -15.915 -16.454 1.00 0.00 H new ATOM 0 HB2 ASN A 102 13.090 -16.789 -15.729 1.00 0.00 H new ATOM 0 HB3 ASN A 102 13.153 -15.111 -16.230 1.00 0.00 H new ATOM 0 HD21 ASN A 102 13.516 -18.064 -18.973 1.00 0.00 H new ATOM 0 HD22 ASN A 102 12.995 -18.301 -17.301 1.00 0.00 H new ATOM 1559 N PRO A 103 15.688 -13.547 -15.519 1.00 0.00 N ATOM 1560 CA PRO A 103 15.767 -12.244 -14.899 1.00 0.00 C ATOM 1561 C PRO A 103 14.390 -11.602 -14.820 1.00 0.00 C ATOM 1562 O PRO A 103 13.855 -11.423 -13.752 1.00 0.00 O ATOM 1563 CB PRO A 103 16.727 -11.461 -15.775 1.00 0.00 C ATOM 1564 CG PRO A 103 16.765 -12.160 -17.134 1.00 0.00 C ATOM 1565 CD PRO A 103 16.139 -13.526 -16.898 1.00 0.00 C ATOM 0 HA PRO A 103 16.120 -12.283 -13.869 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.396 -10.428 -15.882 1.00 0.00 H new ATOM 0 HB3 PRO A 103 17.721 -11.433 -15.328 1.00 0.00 H new ATOM 0 HG2 PRO A 103 16.209 -11.596 -17.883 1.00 0.00 H new ATOM 0 HG3 PRO A 103 17.787 -12.253 -17.500 1.00 0.00 H new ATOM 0 HD2 PRO A 103 15.305 -13.692 -17.580 1.00 0.00 H new ATOM 0 HD3 PRO A 103 16.863 -14.320 -17.080 1.00 0.00 H new ATOM 1573 N GLY A 104 13.795 -11.221 -15.939 1.00 0.00 N ATOM 1574 CA GLY A 104 12.490 -10.572 -15.963 1.00 0.00 C ATOM 1575 C GLY A 104 12.550 -9.238 -16.697 1.00 0.00 C ATOM 1576 O GLY A 104 13.626 -8.635 -16.762 1.00 0.00 O ATOM 0 H GLY A 104 14.205 -11.353 -16.863 1.00 0.00 H new ATOM 0 HA2 GLY A 104 11.765 -11.225 -16.449 1.00 0.00 H new ATOM 0 HA3 GLY A 104 12.141 -10.413 -14.943 1.00 0.00 H new ATOM 1580 N PRO A 105 11.433 -8.795 -17.285 1.00 0.00 N ATOM 1581 CA PRO A 105 11.370 -7.537 -18.013 1.00 0.00 C ATOM 1582 C PRO A 105 11.332 -6.352 -17.058 1.00 0.00 C ATOM 1583 O PRO A 105 12.173 -5.459 -17.145 1.00 0.00 O ATOM 1584 CB PRO A 105 10.104 -7.621 -18.868 1.00 0.00 C ATOM 1585 CG PRO A 105 9.247 -8.733 -18.252 1.00 0.00 C ATOM 1586 CD PRO A 105 10.161 -9.497 -17.301 1.00 0.00 C ATOM 0 HA PRO A 105 12.253 -7.383 -18.634 1.00 0.00 H new ATOM 0 HB2 PRO A 105 9.569 -6.671 -18.867 1.00 0.00 H new ATOM 0 HB3 PRO A 105 10.349 -7.848 -19.906 1.00 0.00 H new ATOM 0 HG2 PRO A 105 8.392 -8.316 -17.719 1.00 0.00 H new ATOM 0 HG3 PRO A 105 8.851 -9.392 -19.024 1.00 0.00 H new ATOM 0 HD2 PRO A 105 9.730 -9.538 -16.301 1.00 0.00 H new ATOM 0 HD3 PRO A 105 10.292 -10.526 -17.635 1.00 0.00 H new ATOM 1594 N ALA A 106 10.349 -6.346 -16.163 1.00 0.00 N ATOM 1595 CA ALA A 106 10.226 -5.318 -15.165 1.00 0.00 C ATOM 1596 C ALA A 106 11.305 -5.474 -14.109 1.00 0.00 C ATOM 1597 O ALA A 106 11.616 -6.590 -13.677 1.00 0.00 O ATOM 1598 CB ALA A 106 8.851 -5.400 -14.561 1.00 0.00 C ATOM 0 H ALA A 106 9.621 -7.059 -16.119 1.00 0.00 H new ATOM 0 HA ALA A 106 10.359 -4.336 -15.619 1.00 0.00 H new ATOM 0 HB1 ALA A 106 8.741 -4.626 -13.801 1.00 0.00 H new ATOM 0 HB2 ALA A 106 8.102 -5.253 -15.339 1.00 0.00 H new ATOM 0 HB3 ALA A 106 8.712 -6.380 -14.104 1.00 0.00 H new ATOM 1604 N ARG A 107 11.869 -4.343 -13.708 1.00 0.00 N ATOM 1605 CA ARG A 107 12.888 -4.267 -12.676 1.00 0.00 C ATOM 1606 C ARG A 107 12.720 -3.013 -11.864 1.00 0.00 C ATOM 1607 O ARG A 107 12.276 -2.026 -12.420 1.00 0.00 O ATOM 1608 CB ARG A 107 14.263 -4.288 -13.341 1.00 0.00 C ATOM 1609 CG ARG A 107 14.534 -5.651 -13.979 1.00 0.00 C ATOM 1610 CD ARG A 107 16.003 -6.042 -13.910 1.00 0.00 C ATOM 1611 NE ARG A 107 16.637 -5.880 -15.223 1.00 0.00 N ATOM 1612 CZ ARG A 107 16.643 -6.798 -16.165 1.00 0.00 C ATOM 1613 NH1 ARG A 107 16.139 -7.969 -15.951 1.00 0.00 N ATOM 1614 NH2 ARG A 107 17.204 -6.577 -17.315 1.00 0.00 N ATOM 0 H ARG A 107 11.624 -3.434 -14.101 1.00 0.00 H new ATOM 0 HA ARG A 107 12.792 -5.119 -12.004 1.00 0.00 H new ATOM 0 HB2 ARG A 107 14.317 -3.508 -14.101 1.00 0.00 H new ATOM 0 HB3 ARG A 107 15.033 -4.067 -12.602 1.00 0.00 H new ATOM 0 HG2 ARG A 107 13.935 -6.410 -13.476 1.00 0.00 H new ATOM 0 HG3 ARG A 107 14.215 -5.631 -15.021 1.00 0.00 H new ATOM 0 HD2 ARG A 107 16.516 -5.425 -13.173 1.00 0.00 H new ATOM 0 HD3 ARG A 107 16.096 -7.077 -13.579 1.00 0.00 H new ATOM 0 HE ARG A 107 17.105 -4.995 -15.419 1.00 0.00 H new ATOM 0 HH11 ARG A 107 15.730 -8.190 -15.043 1.00 0.00 H new ATOM 0 HH12 ARG A 107 16.150 -8.672 -16.690 1.00 0.00 H new ATOM 0 HH21 ARG A 107 17.650 -5.679 -17.500 1.00 0.00 H new ATOM 0 HH22 ARG A 107 17.198 -7.302 -18.033 1.00 0.00 H new ATOM 1628 N VAL A 108 13.086 -3.046 -10.592 1.00 0.00 N ATOM 1629 CA VAL A 108 13.072 -1.900 -9.681 1.00 0.00 C ATOM 1630 C VAL A 108 14.335 -1.076 -9.825 1.00 0.00 C ATOM 1631 O VAL A 108 15.434 -1.554 -9.568 1.00 0.00 O ATOM 1632 CB VAL A 108 12.864 -2.362 -8.241 1.00 0.00 C ATOM 1633 CG1 VAL A 108 13.830 -3.462 -7.822 1.00 0.00 C ATOM 1634 CG2 VAL A 108 12.993 -1.186 -7.287 1.00 0.00 C ATOM 0 H VAL A 108 13.414 -3.902 -10.144 1.00 0.00 H new ATOM 0 HA VAL A 108 12.233 -1.258 -9.949 1.00 0.00 H new ATOM 0 HB VAL A 108 11.858 -2.778 -8.193 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.631 -3.747 -6.789 1.00 0.00 H new ATOM 0 HG12 VAL A 108 13.697 -4.329 -8.469 1.00 0.00 H new ATOM 0 HG13 VAL A 108 14.854 -3.099 -7.908 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.842 -1.530 -6.264 1.00 0.00 H new ATOM 0 HG22 VAL A 108 13.987 -0.749 -7.381 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.242 -0.435 -7.532 1.00 0.00 H new ATOM 1644 N ILE A 109 14.181 0.148 -10.300 1.00 0.00 N ATOM 1645 CA ILE A 109 15.290 1.043 -10.559 1.00 0.00 C ATOM 1646 C ILE A 109 15.350 2.019 -9.405 1.00 0.00 C ATOM 1647 O ILE A 109 14.392 2.743 -9.111 1.00 0.00 O ATOM 1648 CB ILE A 109 15.145 1.696 -11.932 1.00 0.00 C ATOM 1649 CG1 ILE A 109 15.604 0.742 -13.045 1.00 0.00 C ATOM 1650 CG2 ILE A 109 15.994 2.949 -12.013 1.00 0.00 C ATOM 1651 CD1 ILE A 109 14.745 -0.512 -13.113 1.00 0.00 C ATOM 0 H ILE A 109 13.270 0.551 -10.519 1.00 0.00 H new ATOM 0 HA ILE A 109 16.242 0.515 -10.609 1.00 0.00 H new ATOM 0 HB ILE A 109 14.091 1.941 -12.066 1.00 0.00 H new ATOM 0 HG12 ILE A 109 15.567 1.259 -14.004 1.00 0.00 H new ATOM 0 HG13 ILE A 109 16.643 0.460 -12.875 1.00 0.00 H new ATOM 0 HG21 ILE A 109 15.880 3.403 -12.997 1.00 0.00 H new ATOM 0 HG22 ILE A 109 15.673 3.656 -11.248 1.00 0.00 H new ATOM 0 HG23 ILE A 109 17.041 2.690 -11.852 1.00 0.00 H new ATOM 0 HD11 ILE A 109 15.106 -1.157 -13.914 1.00 0.00 H new ATOM 0 HD12 ILE A 109 14.803 -1.045 -12.164 1.00 0.00 H new ATOM 0 HD13 ILE A 109 13.710 -0.234 -13.310 1.00 0.00 H new ATOM 1663 N TYR A 110 16.484 2.017 -8.731 1.00 0.00 N ATOM 1664 CA TYR A 110 16.714 2.867 -7.580 1.00 0.00 C ATOM 1665 C TYR A 110 18.105 3.451 -7.625 1.00 0.00 C ATOM 1666 O TYR A 110 18.980 2.932 -8.298 1.00 0.00 O ATOM 1667 CB TYR A 110 16.542 2.014 -6.328 1.00 0.00 C ATOM 1668 CG TYR A 110 17.532 0.861 -6.251 1.00 0.00 C ATOM 1669 CD1 TYR A 110 18.875 1.109 -5.927 1.00 0.00 C ATOM 1670 CD2 TYR A 110 17.124 -0.466 -6.478 1.00 0.00 C ATOM 1671 CE1 TYR A 110 19.806 0.073 -5.830 1.00 0.00 C ATOM 1672 CE2 TYR A 110 18.045 -1.526 -6.358 1.00 0.00 C ATOM 1673 CZ TYR A 110 19.393 -1.255 -6.031 1.00 0.00 C ATOM 1674 OH TYR A 110 20.279 -2.268 -5.864 1.00 0.00 O ATOM 0 H TYR A 110 17.277 1.421 -8.969 1.00 0.00 H new ATOM 0 HA TYR A 110 16.005 3.695 -7.577 1.00 0.00 H new ATOM 0 HB2 TYR A 110 16.659 2.645 -5.447 1.00 0.00 H new ATOM 0 HB3 TYR A 110 15.527 1.616 -6.303 1.00 0.00 H new ATOM 0 HD1 TYR A 110 19.196 2.125 -5.749 1.00 0.00 H new ATOM 0 HD2 TYR A 110 16.099 -0.674 -6.746 1.00 0.00 H new ATOM 0 HE1 TYR A 110 20.839 0.291 -5.602 1.00 0.00 H new ATOM 0 HE2 TYR A 110 17.721 -2.544 -6.516 1.00 0.00 H new ATOM 0 HH TYR A 110 19.835 -3.124 -6.040 1.00 0.00 H new ATOM 1684 N THR A 111 18.333 4.500 -6.860 1.00 0.00 N ATOM 1685 CA THR A 111 19.634 5.174 -6.805 1.00 0.00 C ATOM 1686 C THR A 111 20.497 4.592 -5.707 1.00 0.00 C ATOM 1687 O THR A 111 19.972 3.966 -4.798 1.00 0.00 O ATOM 1688 CB THR A 111 19.438 6.675 -6.607 1.00 0.00 C ATOM 1689 OG1 THR A 111 19.326 7.015 -5.251 1.00 0.00 O ATOM 1690 CG2 THR A 111 18.148 7.152 -7.243 1.00 0.00 C ATOM 0 H THR A 111 17.626 4.917 -6.254 1.00 0.00 H new ATOM 0 HA THR A 111 20.149 5.013 -7.752 1.00 0.00 H new ATOM 0 HB THR A 111 20.313 7.139 -7.062 1.00 0.00 H new ATOM 0 HG1 THR A 111 19.203 7.984 -5.166 1.00 0.00 H new ATOM 0 HG21 THR A 111 18.039 8.225 -7.084 1.00 0.00 H new ATOM 0 HG22 THR A 111 18.171 6.944 -8.313 1.00 0.00 H new ATOM 0 HG23 THR A 111 17.305 6.630 -6.790 1.00 0.00 H new ATOM 1698 N TYR A 112 21.802 4.819 -5.749 1.00 0.00 N ATOM 1699 CA TYR A 112 22.706 4.341 -4.720 1.00 0.00 C ATOM 1700 C TYR A 112 23.270 5.511 -3.881 1.00 0.00 C ATOM 1701 O TYR A 112 23.438 6.614 -4.406 1.00 0.00 O ATOM 1702 CB TYR A 112 23.751 3.419 -5.374 1.00 0.00 C ATOM 1703 CG TYR A 112 25.018 3.152 -4.580 1.00 0.00 C ATOM 1704 CD1 TYR A 112 25.867 4.218 -4.249 1.00 0.00 C ATOM 1705 CD2 TYR A 112 25.333 1.867 -4.105 1.00 0.00 C ATOM 1706 CE1 TYR A 112 27.035 4.032 -3.509 1.00 0.00 C ATOM 1707 CE2 TYR A 112 26.479 1.673 -3.308 1.00 0.00 C ATOM 1708 CZ TYR A 112 27.352 2.750 -3.040 1.00 0.00 C ATOM 1709 OH TYR A 112 28.495 2.558 -2.341 1.00 0.00 O ATOM 0 H TYR A 112 22.261 5.339 -6.497 1.00 0.00 H new ATOM 0 HA TYR A 112 22.182 3.733 -3.982 1.00 0.00 H new ATOM 0 HB2 TYR A 112 23.275 2.462 -5.586 1.00 0.00 H new ATOM 0 HB3 TYR A 112 24.035 3.853 -6.332 1.00 0.00 H new ATOM 0 HD1 TYR A 112 25.609 5.214 -4.577 1.00 0.00 H new ATOM 0 HD2 TYR A 112 24.697 1.029 -4.351 1.00 0.00 H new ATOM 0 HE1 TYR A 112 27.688 4.867 -3.300 1.00 0.00 H new ATOM 0 HE2 TYR A 112 26.691 0.696 -2.900 1.00 0.00 H new ATOM 0 HH TYR A 112 28.461 1.689 -1.890 1.00 0.00 H new ATOM 1719 N PRO A 113 23.683 5.253 -2.625 1.00 0.00 N ATOM 1720 CA PRO A 113 23.441 3.994 -1.939 1.00 0.00 C ATOM 1721 C PRO A 113 21.979 3.914 -1.572 1.00 0.00 C ATOM 1722 O PRO A 113 21.315 2.972 -1.974 1.00 0.00 O ATOM 1723 CB PRO A 113 24.369 3.940 -0.737 1.00 0.00 C ATOM 1724 CG PRO A 113 24.808 5.387 -0.513 1.00 0.00 C ATOM 1725 CD PRO A 113 24.449 6.162 -1.791 1.00 0.00 C ATOM 0 HA PRO A 113 23.654 3.128 -2.566 1.00 0.00 H new ATOM 0 HB2 PRO A 113 23.857 3.542 0.139 1.00 0.00 H new ATOM 0 HB3 PRO A 113 25.225 3.293 -0.928 1.00 0.00 H new ATOM 0 HG2 PRO A 113 24.303 5.815 0.353 1.00 0.00 H new ATOM 0 HG3 PRO A 113 25.879 5.440 -0.316 1.00 0.00 H new ATOM 0 HD2 PRO A 113 23.868 7.053 -1.554 1.00 0.00 H new ATOM 0 HD3 PRO A 113 25.349 6.496 -2.307 1.00 0.00 H new ATOM 1733 N ASN A 114 21.465 4.919 -0.870 1.00 0.00 N ATOM 1734 CA ASN A 114 20.071 4.986 -0.474 1.00 0.00 C ATOM 1735 C ASN A 114 19.174 4.501 -1.600 1.00 0.00 C ATOM 1736 O ASN A 114 19.118 5.209 -2.598 1.00 0.00 O ATOM 1737 CB ASN A 114 19.698 6.428 -0.144 1.00 0.00 C ATOM 1738 CG ASN A 114 18.392 6.473 0.618 1.00 0.00 C ATOM 1739 OD1 ASN A 114 17.521 5.623 0.517 1.00 0.00 O ATOM 1740 ND2 ASN A 114 18.253 7.457 1.460 1.00 0.00 N ATOM 0 H ASN A 114 22.016 5.718 -0.558 1.00 0.00 H new ATOM 0 HA ASN A 114 19.933 4.350 0.401 1.00 0.00 H new ATOM 0 HB2 ASN A 114 20.488 6.888 0.449 1.00 0.00 H new ATOM 0 HB3 ASN A 114 19.610 7.007 -1.063 1.00 0.00 H new ATOM 0 HD21 ASN A 114 17.415 7.519 2.038 1.00 0.00 H new ATOM 0 HD22 ASN A 114 18.983 8.165 1.542 1.00 0.00 H new ATOM 1747 N LYS A 115 18.563 3.315 -1.454 1.00 0.00 N ATOM 1748 CA LYS A 115 17.696 2.660 -2.429 1.00 0.00 C ATOM 1749 C LYS A 115 16.428 3.482 -2.560 1.00 0.00 C ATOM 1750 O LYS A 115 15.351 3.037 -2.168 1.00 0.00 O ATOM 1751 CB LYS A 115 17.430 1.202 -2.000 1.00 0.00 C ATOM 1752 CG LYS A 115 17.862 0.209 -3.073 1.00 0.00 C ATOM 1753 CD LYS A 115 18.035 -1.235 -2.599 1.00 0.00 C ATOM 1754 CE LYS A 115 19.040 -1.278 -1.447 1.00 0.00 C ATOM 1755 NZ LYS A 115 18.371 -1.235 -0.132 1.00 0.00 N ATOM 0 H LYS A 115 18.671 2.762 -0.604 1.00 0.00 H new ATOM 0 HA LYS A 115 18.169 2.608 -3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 115 17.965 0.992 -1.074 1.00 0.00 H new ATOM 0 HB3 LYS A 115 16.368 1.072 -1.791 1.00 0.00 H new ATOM 0 HG2 LYS A 115 17.125 0.224 -3.876 1.00 0.00 H new ATOM 0 HG3 LYS A 115 18.806 0.549 -3.500 1.00 0.00 H new ATOM 0 HD2 LYS A 115 17.076 -1.639 -2.274 1.00 0.00 H new ATOM 0 HD3 LYS A 115 18.382 -1.860 -3.422 1.00 0.00 H new ATOM 0 HE2 LYS A 115 19.638 -2.186 -1.521 1.00 0.00 H new ATOM 0 HE3 LYS A 115 19.727 -0.436 -1.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 18.905 -0.614 0.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 17.405 -0.867 -0.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 18.332 -2.194 0.269 1.00 0.00 H new ATOM 1769 N VAL A 116 16.575 4.709 -3.040 1.00 0.00 N ATOM 1770 CA VAL A 116 15.525 5.671 -3.277 1.00 0.00 C ATOM 1771 C VAL A 116 14.822 5.139 -4.507 1.00 0.00 C ATOM 1772 O VAL A 116 15.094 5.547 -5.635 1.00 0.00 O ATOM 1773 CB VAL A 116 16.079 7.097 -3.452 1.00 0.00 C ATOM 1774 CG1 VAL A 116 15.017 8.024 -4.051 1.00 0.00 C ATOM 1775 CG2 VAL A 116 16.579 7.665 -2.115 1.00 0.00 C ATOM 0 H VAL A 116 17.494 5.076 -3.288 1.00 0.00 H new ATOM 0 HA VAL A 116 14.838 5.772 -2.436 1.00 0.00 H new ATOM 0 HB VAL A 116 16.923 7.040 -4.140 1.00 0.00 H new ATOM 0 HG11 VAL A 116 15.431 9.026 -4.165 1.00 0.00 H new ATOM 0 HG12 VAL A 116 14.711 7.644 -5.026 1.00 0.00 H new ATOM 0 HG13 VAL A 116 14.152 8.062 -3.389 1.00 0.00 H new ATOM 0 HG21 VAL A 116 16.964 8.673 -2.269 1.00 0.00 H new ATOM 0 HG22 VAL A 116 15.755 7.697 -1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 116 17.373 7.029 -1.724 1.00 0.00 H new ATOM 1785 N PHE A 117 14.036 4.091 -4.280 1.00 0.00 N ATOM 1786 CA PHE A 117 13.175 3.476 -5.252 1.00 0.00 C ATOM 1787 C PHE A 117 12.525 4.585 -6.061 1.00 0.00 C ATOM 1788 O PHE A 117 11.910 5.494 -5.499 1.00 0.00 O ATOM 1789 CB PHE A 117 12.155 2.614 -4.504 1.00 0.00 C ATOM 1790 CG PHE A 117 11.029 2.133 -5.378 1.00 0.00 C ATOM 1791 CD1 PHE A 117 10.055 3.025 -5.861 1.00 0.00 C ATOM 1792 CD2 PHE A 117 10.968 0.785 -5.728 1.00 0.00 C ATOM 1793 CE1 PHE A 117 9.097 2.596 -6.773 1.00 0.00 C ATOM 1794 CE2 PHE A 117 9.981 0.344 -6.611 1.00 0.00 C ATOM 1795 CZ PHE A 117 9.054 1.247 -7.146 1.00 0.00 C ATOM 0 H PHE A 117 13.989 3.636 -3.368 1.00 0.00 H new ATOM 0 HA PHE A 117 13.715 2.827 -5.942 1.00 0.00 H new ATOM 0 HB2 PHE A 117 12.664 1.752 -4.072 1.00 0.00 H new ATOM 0 HB3 PHE A 117 11.742 3.189 -3.675 1.00 0.00 H new ATOM 0 HD1 PHE A 117 10.051 4.050 -5.521 1.00 0.00 H new ATOM 0 HD2 PHE A 117 11.681 0.085 -5.318 1.00 0.00 H new ATOM 0 HE1 PHE A 117 8.391 3.298 -7.191 1.00 0.00 H new ATOM 0 HE2 PHE A 117 9.932 -0.700 -6.883 1.00 0.00 H new ATOM 0 HZ PHE A 117 8.307 0.903 -7.846 1.00 0.00 H new ATOM 1805 N CYS A 118 12.696 4.517 -7.372 1.00 0.00 N ATOM 1806 CA CYS A 118 12.061 5.450 -8.264 1.00 0.00 C ATOM 1807 C CYS A 118 10.824 4.840 -8.911 1.00 0.00 C ATOM 1808 O CYS A 118 9.789 5.491 -9.043 1.00 0.00 O ATOM 1809 CB CYS A 118 13.094 5.917 -9.275 1.00 0.00 C ATOM 1810 SG CYS A 118 13.362 7.683 -9.057 1.00 0.00 S ATOM 0 H CYS A 118 13.275 3.817 -7.836 1.00 0.00 H new ATOM 0 HA CYS A 118 11.699 6.318 -7.714 1.00 0.00 H new ATOM 0 HB2 CYS A 118 14.029 5.374 -9.138 1.00 0.00 H new ATOM 0 HB3 CYS A 118 12.751 5.710 -10.289 1.00 0.00 H new ATOM 1815 N GLY A 119 10.926 3.573 -9.298 1.00 0.00 N ATOM 1816 CA GLY A 119 9.856 2.849 -9.954 1.00 0.00 C ATOM 1817 C GLY A 119 10.398 1.649 -10.682 1.00 0.00 C ATOM 1818 O GLY A 119 11.573 1.303 -10.575 1.00 0.00 O ATOM 0 H GLY A 119 11.770 3.016 -9.160 1.00 0.00 H new ATOM 0 HA2 GLY A 119 9.119 2.531 -9.217 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.342 3.506 -10.656 1.00 0.00 H new ATOM 1822 N ILE A 120 9.511 0.984 -11.402 1.00 0.00 N ATOM 1823 CA ILE A 120 9.884 -0.171 -12.195 1.00 0.00 C ATOM 1824 C ILE A 120 9.883 0.245 -13.635 1.00 0.00 C ATOM 1825 O ILE A 120 9.066 1.060 -14.000 1.00 0.00 O ATOM 1826 CB ILE A 120 8.958 -1.359 -11.907 1.00 0.00 C ATOM 1827 CG1 ILE A 120 9.242 -1.934 -10.515 1.00 0.00 C ATOM 1828 CG2 ILE A 120 9.088 -2.517 -12.891 1.00 0.00 C ATOM 1829 CD1 ILE A 120 8.600 -1.084 -9.433 1.00 0.00 C ATOM 0 H ILE A 120 8.522 1.227 -11.453 1.00 0.00 H new ATOM 0 HA ILE A 120 10.883 -0.518 -11.933 1.00 0.00 H new ATOM 0 HB ILE A 120 7.953 -0.946 -11.993 1.00 0.00 H new ATOM 0 HG12 ILE A 120 8.862 -2.954 -10.455 1.00 0.00 H new ATOM 0 HG13 ILE A 120 10.318 -1.985 -10.351 1.00 0.00 H new ATOM 0 HG21 ILE A 120 8.397 -3.312 -12.611 1.00 0.00 H new ATOM 0 HG22 ILE A 120 8.852 -2.168 -13.896 1.00 0.00 H new ATOM 0 HG23 ILE A 120 10.109 -2.899 -12.870 1.00 0.00 H new ATOM 0 HD11 ILE A 120 8.817 -1.514 -8.455 1.00 0.00 H new ATOM 0 HD12 ILE A 120 9.000 -0.071 -9.481 1.00 0.00 H new ATOM 0 HD13 ILE A 120 7.521 -1.055 -9.585 1.00 0.00 H new ATOM 1841 N ILE A 121 10.767 -0.280 -14.459 1.00 0.00 N ATOM 1842 CA ILE A 121 10.834 0.066 -15.866 1.00 0.00 C ATOM 1843 C ILE A 121 10.609 -1.195 -16.680 1.00 0.00 C ATOM 1844 O ILE A 121 10.972 -2.282 -16.236 1.00 0.00 O ATOM 1845 CB ILE A 121 12.159 0.770 -16.184 1.00 0.00 C ATOM 1846 CG1 ILE A 121 13.295 -0.253 -16.306 1.00 0.00 C ATOM 1847 CG2 ILE A 121 12.477 1.884 -15.158 1.00 0.00 C ATOM 1848 CD1 ILE A 121 14.621 0.328 -16.777 1.00 0.00 C ATOM 0 H ILE A 121 11.465 -0.965 -14.169 1.00 0.00 H new ATOM 0 HA ILE A 121 10.053 0.779 -16.130 1.00 0.00 H new ATOM 0 HB ILE A 121 12.058 1.266 -17.149 1.00 0.00 H new ATOM 0 HG12 ILE A 121 13.445 -0.728 -15.336 1.00 0.00 H new ATOM 0 HG13 ILE A 121 12.989 -1.036 -17.000 1.00 0.00 H new ATOM 0 HG21 ILE A 121 13.423 2.359 -15.418 1.00 0.00 H new ATOM 0 HG22 ILE A 121 11.682 2.629 -15.172 1.00 0.00 H new ATOM 0 HG23 ILE A 121 12.551 1.450 -14.161 1.00 0.00 H new ATOM 0 HD11 ILE A 121 15.366 -0.466 -16.834 1.00 0.00 H new ATOM 0 HD12 ILE A 121 14.492 0.777 -17.762 1.00 0.00 H new ATOM 0 HD13 ILE A 121 14.955 1.089 -16.072 1.00 0.00 H new ATOM 1860 N ALA A 122 10.090 -1.056 -17.892 1.00 0.00 N ATOM 1861 CA ALA A 122 9.828 -2.172 -18.790 1.00 0.00 C ATOM 1862 C ALA A 122 9.350 -1.647 -20.137 1.00 0.00 C ATOM 1863 O ALA A 122 8.420 -0.856 -20.253 1.00 0.00 O ATOM 1864 CB ALA A 122 8.794 -3.128 -18.202 1.00 0.00 C ATOM 0 H ALA A 122 9.835 -0.150 -18.285 1.00 0.00 H new ATOM 0 HA ALA A 122 10.757 -2.727 -18.924 1.00 0.00 H new ATOM 0 HB1 ALA A 122 8.621 -3.950 -18.897 1.00 0.00 H new ATOM 0 HB2 ALA A 122 9.162 -3.525 -17.256 1.00 0.00 H new ATOM 0 HB3 ALA A 122 7.859 -2.594 -18.033 1.00 0.00 H new ATOM 2011 N LYS A 132 10.582 2.009 -20.001 1.00 0.00 N ATOM 2012 CA LYS A 132 9.867 3.186 -19.522 1.00 0.00 C ATOM 2013 C LYS A 132 9.316 2.876 -18.157 1.00 0.00 C ATOM 2014 O LYS A 132 8.998 1.716 -17.901 1.00 0.00 O ATOM 2015 CB LYS A 132 8.777 3.606 -20.503 1.00 0.00 C ATOM 2016 CG LYS A 132 8.183 2.433 -21.301 1.00 0.00 C ATOM 2017 CD LYS A 132 6.886 2.813 -22.016 1.00 0.00 C ATOM 2018 CE LYS A 132 6.900 2.300 -23.461 1.00 0.00 C ATOM 2019 NZ LYS A 132 6.912 3.440 -24.408 1.00 0.00 N ATOM 0 HA LYS A 132 10.546 4.035 -19.448 1.00 0.00 H new ATOM 0 HB2 LYS A 132 7.977 4.103 -19.954 1.00 0.00 H new ATOM 0 HB3 LYS A 132 9.188 4.337 -21.199 1.00 0.00 H new ATOM 0 HG2 LYS A 132 8.912 2.090 -22.035 1.00 0.00 H new ATOM 0 HG3 LYS A 132 7.992 1.598 -20.627 1.00 0.00 H new ATOM 0 HD2 LYS A 132 6.033 2.393 -21.483 1.00 0.00 H new ATOM 0 HD3 LYS A 132 6.764 3.896 -22.009 1.00 0.00 H new ATOM 0 HE2 LYS A 132 7.777 1.673 -23.624 1.00 0.00 H new ATOM 0 HE3 LYS A 132 6.024 1.677 -23.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 6.921 3.081 -25.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 6.063 4.022 -24.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 7.760 4.019 -24.244 1.00 0.00 H new ATOM 2033 N LEU A 133 9.226 3.903 -17.317 1.00 0.00 N ATOM 2034 CA LEU A 133 8.695 3.760 -15.977 1.00 0.00 C ATOM 2035 C LEU A 133 7.288 3.180 -16.091 1.00 0.00 C ATOM 2036 O LEU A 133 6.510 3.622 -16.940 1.00 0.00 O ATOM 2037 CB LEU A 133 8.728 5.110 -15.236 1.00 0.00 C ATOM 2038 CG LEU A 133 8.923 4.985 -13.714 1.00 0.00 C ATOM 2039 CD1 LEU A 133 10.194 4.195 -13.378 1.00 0.00 C ATOM 2040 CD2 LEU A 133 9.019 6.390 -13.125 1.00 0.00 C ATOM 0 H LEU A 133 9.519 4.852 -17.550 1.00 0.00 H new ATOM 0 HA LEU A 133 9.306 3.079 -15.384 1.00 0.00 H new ATOM 0 HB2 LEU A 133 9.534 5.718 -15.646 1.00 0.00 H new ATOM 0 HB3 LEU A 133 7.797 5.642 -15.430 1.00 0.00 H new ATOM 0 HG LEU A 133 8.076 4.446 -13.289 1.00 0.00 H new ATOM 0 HD11 LEU A 133 10.303 4.124 -12.296 1.00 0.00 H new ATOM 0 HD12 LEU A 133 10.122 3.193 -13.802 1.00 0.00 H new ATOM 0 HD13 LEU A 133 11.061 4.705 -13.798 1.00 0.00 H new ATOM 0 HD21 LEU A 133 9.158 6.323 -12.046 1.00 0.00 H new ATOM 0 HD22 LEU A 133 9.866 6.913 -13.568 1.00 0.00 H new ATOM 0 HD23 LEU A 133 8.102 6.938 -13.340 1.00 0.00 H new ATOM 2052 N CYS A 134 7.014 2.151 -15.297 1.00 0.00 N ATOM 2053 CA CYS A 134 5.711 1.538 -15.176 1.00 0.00 C ATOM 2054 C CYS A 134 4.693 2.585 -14.725 1.00 0.00 C ATOM 2055 O CYS A 134 5.027 3.711 -14.358 1.00 0.00 O ATOM 2056 CB CYS A 134 5.738 0.403 -14.143 1.00 0.00 C ATOM 2057 SG CYS A 134 6.785 -1.020 -14.442 1.00 0.00 S ATOM 0 H CYS A 134 7.719 1.712 -14.705 1.00 0.00 H new ATOM 0 HA CYS A 134 5.433 1.131 -16.148 1.00 0.00 H new ATOM 0 HB2 CYS A 134 6.035 0.835 -13.187 1.00 0.00 H new ATOM 0 HB3 CYS A 134 4.717 0.041 -14.025 1.00 0.00 H new ATOM 2062 N SER A 135 3.448 2.157 -14.616 1.00 0.00 N ATOM 2063 CA SER A 135 2.356 3.052 -14.275 1.00 0.00 C ATOM 2064 C SER A 135 1.273 2.223 -13.623 1.00 0.00 C ATOM 2065 O SER A 135 0.724 1.319 -14.240 1.00 0.00 O ATOM 2066 CB SER A 135 1.823 3.752 -15.526 1.00 0.00 C ATOM 2067 OG SER A 135 2.741 4.720 -15.996 1.00 0.00 O ATOM 0 H SER A 135 3.166 1.187 -14.760 1.00 0.00 H new ATOM 0 HA SER A 135 2.700 3.829 -13.592 1.00 0.00 H new ATOM 0 HB2 SER A 135 1.635 3.015 -16.307 1.00 0.00 H new ATOM 0 HB3 SER A 135 0.869 4.229 -15.301 1.00 0.00 H new ATOM 0 HG SER A 135 2.379 5.153 -16.797 1.00 0.00 H new ATOM 2073 N HIS A 136 1.062 2.452 -12.336 1.00 0.00 N ATOM 2074 CA HIS A 136 -0.046 1.875 -11.579 1.00 0.00 C ATOM 2075 C HIS A 136 -1.313 2.714 -11.740 1.00 0.00 C ATOM 2076 O HIS A 136 -1.253 3.878 -11.276 1.00 0.00 O ATOM 2077 CB HIS A 136 0.340 1.772 -10.107 1.00 0.00 C ATOM 2078 CG HIS A 136 1.149 2.930 -9.591 1.00 0.00 C ATOM 2079 ND1 HIS A 136 0.937 4.260 -9.855 1.00 0.00 N ATOM 2080 CD2 HIS A 136 2.280 2.820 -8.859 1.00 0.00 C ATOM 2081 CE1 HIS A 136 1.931 4.961 -9.271 1.00 0.00 C ATOM 2082 NE2 HIS A 136 2.757 4.100 -8.637 1.00 0.00 N ATOM 2083 OXT HIS A 136 -2.283 2.169 -12.289 1.00 0.00 O ATOM 0 H HIS A 136 1.665 3.054 -11.775 1.00 0.00 H new ATOM 0 HA HIS A 136 -0.254 0.878 -11.967 1.00 0.00 H new ATOM 0 HB2 HIS A 136 -0.569 1.686 -9.511 1.00 0.00 H new ATOM 0 HB3 HIS A 136 0.907 0.853 -9.957 1.00 0.00 H new ATOM 0 HD1 HIS A 136 0.165 4.649 -10.396 1.00 0.00 H new ATOM 0 HD2 HIS A 136 2.729 1.901 -8.511 1.00 0.00 H new ATOM 0 HE1 HIS A 136 2.047 6.034 -9.305 1.00 0.00 H new ATOM 0 HE2 HIS A 136 3.583 4.349 -8.093 1.00 0.00 H new