USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 793 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 5 HIS : no HD1:sc= -0.219 X(o=-0.21,f=-0.53) USER MOD Set 2.2: A 18 SER OG : rot -56:sc= 0.00799 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= -0.0913 X(o=-0.091,f=-0.33) USER MOD Single : A 6 HIS : no HD1:sc=-0.00558 X(o=-0.0056,f=-0.0031) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 9 HIS : no HD1:sc= -0.092 X(o=-0.092,f=-0.092) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.56) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.0302 X(o=-0.03,f=-0.4) USER MOD Single : A 26 THR OG1 : rot -159:sc= 0.57 USER MOD Single : A 27 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.00146) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= 0.13 USER MOD Single : A 43 THR OG1 : rot -140:sc= 0.96 USER MOD Single : A 44 LYS NZ :NH3+ 162:sc= -0.731! (180deg=-1.45!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0.03) USER MOD Single : A 50 MET CE :methyl -146:sc= -0.332 (180deg=-2!) USER MOD Single : A 51 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.223) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 152:sc= -0.205 (180deg=-0.999) USER MOD Single : A 65 SER OG : rot -120:sc= -0.27 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 84:sc= 1.06 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.047) USER MOD Single : A 78 HIS : no HD1:sc= -0.175 K(o=-0.17,f=-1.1) USER MOD Single : A 89 SER OG : rot 180:sc= 0.0413 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.416 14.074 11.314 1.00 0.00 N ATOM 2 CA GLY A 1 -11.594 13.170 10.145 1.00 0.00 C ATOM 3 C GLY A 1 -12.883 13.441 9.393 1.00 0.00 C ATOM 4 O GLY A 1 -13.968 13.386 9.971 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.521 13.849 11.794 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.396 15.062 10.989 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.207 13.944 11.977 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.749 13.288 9.466 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.587 12.135 10.486 1.00 0.00 H new ATOM 10 N SER A 2 -12.762 13.736 8.103 1.00 0.00 N ATOM 11 CA SER A 2 -13.926 14.020 7.271 1.00 0.00 C ATOM 12 C SER A 2 -14.148 12.910 6.247 1.00 0.00 C ATOM 13 O SER A 2 -13.313 12.683 5.372 1.00 0.00 O ATOM 14 CB SER A 2 -13.754 15.361 6.557 1.00 0.00 C ATOM 15 OG SER A 2 -12.819 16.183 7.233 1.00 0.00 O ATOM 0 H SER A 2 -11.870 13.785 7.611 1.00 0.00 H new ATOM 0 HA SER A 2 -14.800 14.071 7.920 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.420 15.191 5.533 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.715 15.871 6.498 1.00 0.00 H new ATOM 0 HG SER A 2 -12.726 17.034 6.755 1.00 0.00 H new ATOM 21 N SER A 3 -15.279 12.222 6.365 1.00 0.00 N ATOM 22 CA SER A 3 -15.615 11.138 5.452 1.00 0.00 C ATOM 23 C SER A 3 -17.086 11.200 5.051 1.00 0.00 C ATOM 24 O SER A 3 -17.948 10.643 5.730 1.00 0.00 O ATOM 25 CB SER A 3 -15.306 9.786 6.099 1.00 0.00 C ATOM 26 OG SER A 3 -15.697 8.715 5.258 1.00 0.00 O ATOM 0 H SER A 3 -15.979 12.397 7.086 1.00 0.00 H new ATOM 0 HA SER A 3 -15.008 11.251 4.554 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.239 9.716 6.309 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.825 9.710 7.055 1.00 0.00 H new ATOM 0 HG SER A 3 -15.487 7.863 5.694 1.00 0.00 H new ATOM 32 N HIS A 4 -17.364 11.882 3.944 1.00 0.00 N ATOM 33 CA HIS A 4 -18.729 12.022 3.453 1.00 0.00 C ATOM 34 C HIS A 4 -18.914 11.278 2.133 1.00 0.00 C ATOM 35 O HIS A 4 -19.542 11.788 1.203 1.00 0.00 O ATOM 36 CB HIS A 4 -19.077 13.501 3.273 1.00 0.00 C ATOM 37 CG HIS A 4 -20.545 13.787 3.358 1.00 0.00 C ATOM 38 ND1 HIS A 4 -21.468 12.776 3.480 1.00 0.00 N ATOM 39 CD2 HIS A 4 -21.193 14.978 3.330 1.00 0.00 C ATOM 40 CE1 HIS A 4 -22.649 13.367 3.525 1.00 0.00 C ATOM 41 NE2 HIS A 4 -22.530 14.699 3.438 1.00 0.00 N ATOM 0 H HIS A 4 -16.660 12.347 3.370 1.00 0.00 H new ATOM 0 HA HIS A 4 -19.401 11.584 4.191 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -18.557 14.083 4.034 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -18.705 13.838 2.305 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -20.743 15.956 3.240 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -23.589 12.844 3.620 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -23.292 15.377 3.450 1.00 0.00 H new ATOM 49 N HIS A 5 -18.366 10.069 2.060 1.00 0.00 N ATOM 50 CA HIS A 5 -18.473 9.253 0.857 1.00 0.00 C ATOM 51 C HIS A 5 -19.773 8.457 0.854 1.00 0.00 C ATOM 52 O HIS A 5 -20.084 7.754 1.816 1.00 0.00 O ATOM 53 CB HIS A 5 -17.278 8.302 0.755 1.00 0.00 C ATOM 54 CG HIS A 5 -16.879 7.989 -0.654 1.00 0.00 C ATOM 55 ND1 HIS A 5 -16.984 8.926 -1.654 1.00 0.00 N ATOM 56 CD2 HIS A 5 -16.386 6.838 -1.175 1.00 0.00 C ATOM 57 CE1 HIS A 5 -16.556 8.332 -2.754 1.00 0.00 C ATOM 58 NE2 HIS A 5 -16.184 7.066 -2.510 1.00 0.00 N ATOM 0 H HIS A 5 -17.844 9.633 2.820 1.00 0.00 H new ATOM 0 HA HIS A 5 -18.474 9.919 -0.006 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -16.428 8.743 1.275 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -17.519 7.372 1.270 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -16.191 5.920 -0.641 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -16.511 8.804 -3.724 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -15.820 6.399 -3.191 1.00 0.00 H new ATOM 66 N HIS A 6 -20.530 8.572 -0.234 1.00 0.00 N ATOM 67 CA HIS A 6 -21.800 7.864 -0.358 1.00 0.00 C ATOM 68 C HIS A 6 -21.951 7.251 -1.746 1.00 0.00 C ATOM 69 O HIS A 6 -23.063 6.979 -2.198 1.00 0.00 O ATOM 70 CB HIS A 6 -22.966 8.816 -0.080 1.00 0.00 C ATOM 71 CG HIS A 6 -22.836 10.140 -0.765 1.00 0.00 C ATOM 72 ND1 HIS A 6 -22.542 11.285 -0.062 1.00 0.00 N ATOM 73 CD2 HIS A 6 -22.967 10.449 -2.079 1.00 0.00 C ATOM 74 CE1 HIS A 6 -22.500 12.258 -0.955 1.00 0.00 C ATOM 75 NE2 HIS A 6 -22.750 11.797 -2.189 1.00 0.00 N ATOM 0 H HIS A 6 -20.287 9.147 -1.040 1.00 0.00 H new ATOM 0 HA HIS A 6 -21.811 7.059 0.377 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -23.895 8.342 -0.398 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -23.043 8.979 0.995 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -23.198 9.765 -2.882 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -22.291 13.291 -0.721 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -22.774 12.347 -3.048 1.00 0.00 H new ATOM 83 N HIS A 7 -20.825 7.037 -2.419 1.00 0.00 N ATOM 84 CA HIS A 7 -20.834 6.458 -3.757 1.00 0.00 C ATOM 85 C HIS A 7 -20.184 5.079 -3.761 1.00 0.00 C ATOM 86 O HIS A 7 -18.978 4.950 -3.552 1.00 0.00 O ATOM 87 CB HIS A 7 -20.105 7.380 -4.738 1.00 0.00 C ATOM 88 CG HIS A 7 -20.998 7.965 -5.786 1.00 0.00 C ATOM 89 ND1 HIS A 7 -21.237 9.318 -5.851 1.00 0.00 N ATOM 90 CD2 HIS A 7 -21.681 7.347 -6.780 1.00 0.00 C ATOM 91 CE1 HIS A 7 -22.054 9.492 -6.875 1.00 0.00 C ATOM 92 NE2 HIS A 7 -22.350 8.326 -7.466 1.00 0.00 N ATOM 0 H HIS A 7 -19.896 7.256 -2.060 1.00 0.00 H new ATOM 0 HA HIS A 7 -21.872 6.350 -4.070 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -19.634 8.190 -4.181 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -19.306 6.820 -5.224 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -21.695 6.288 -6.991 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -22.434 10.451 -7.195 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -22.958 8.193 -8.274 1.00 0.00 H new ATOM 100 N HIS A 8 -20.992 4.051 -4.004 1.00 0.00 N ATOM 101 CA HIS A 8 -20.496 2.680 -4.039 1.00 0.00 C ATOM 102 C HIS A 8 -20.064 2.294 -5.450 1.00 0.00 C ATOM 103 O HIS A 8 -19.141 1.501 -5.631 1.00 0.00 O ATOM 104 CB HIS A 8 -21.573 1.711 -3.543 1.00 0.00 C ATOM 105 CG HIS A 8 -21.037 0.610 -2.680 1.00 0.00 C ATOM 106 ND1 HIS A 8 -21.624 0.291 -1.479 1.00 0.00 N ATOM 107 CD2 HIS A 8 -19.979 -0.211 -2.889 1.00 0.00 C ATOM 108 CE1 HIS A 8 -20.915 -0.709 -0.984 1.00 0.00 C ATOM 109 NE2 HIS A 8 -19.909 -1.046 -1.804 1.00 0.00 N ATOM 0 H HIS A 8 -21.993 4.142 -4.179 1.00 0.00 H new ATOM 0 HA HIS A 8 -19.629 2.618 -3.381 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -22.322 2.270 -2.982 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -22.080 1.273 -4.403 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -19.319 -0.208 -3.744 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -21.120 -1.192 -0.040 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -19.222 -1.784 -1.650 1.00 0.00 H new ATOM 117 N HIS A 9 -20.737 2.863 -6.445 1.00 0.00 N ATOM 118 CA HIS A 9 -20.421 2.584 -7.841 1.00 0.00 C ATOM 119 C HIS A 9 -19.879 3.829 -8.535 1.00 0.00 C ATOM 120 O HIS A 9 -20.448 4.304 -9.518 1.00 0.00 O ATOM 121 CB HIS A 9 -21.663 2.071 -8.579 1.00 0.00 C ATOM 122 CG HIS A 9 -22.951 2.617 -8.046 1.00 0.00 C ATOM 123 ND1 HIS A 9 -23.368 3.893 -8.346 1.00 0.00 N ATOM 124 CD2 HIS A 9 -23.871 2.027 -7.242 1.00 0.00 C ATOM 125 CE1 HIS A 9 -24.524 4.051 -7.725 1.00 0.00 C ATOM 126 NE2 HIS A 9 -24.867 2.948 -7.045 1.00 0.00 N ATOM 0 H HIS A 9 -21.505 3.520 -6.310 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.651 1.812 -7.865 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -21.579 2.329 -9.635 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -21.687 0.983 -8.517 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -23.827 1.027 -6.836 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -25.116 4.953 -7.761 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -25.710 2.818 -6.486 1.00 0.00 H new ATOM 134 N SER A 10 -18.772 4.355 -8.015 1.00 0.00 N ATOM 135 CA SER A 10 -18.151 5.545 -8.583 1.00 0.00 C ATOM 136 C SER A 10 -17.574 5.252 -9.965 1.00 0.00 C ATOM 137 O SER A 10 -16.979 4.199 -10.190 1.00 0.00 O ATOM 138 CB SER A 10 -17.048 6.060 -7.656 1.00 0.00 C ATOM 139 OG SER A 10 -17.406 7.303 -7.077 1.00 0.00 O ATOM 0 H SER A 10 -18.288 3.975 -7.202 1.00 0.00 H new ATOM 0 HA SER A 10 -18.919 6.312 -8.686 1.00 0.00 H new ATOM 0 HB2 SER A 10 -16.860 5.330 -6.869 1.00 0.00 H new ATOM 0 HB3 SER A 10 -16.120 6.171 -8.217 1.00 0.00 H new ATOM 0 HG SER A 10 -16.685 7.609 -6.488 1.00 0.00 H new ATOM 145 N SER A 11 -17.758 6.193 -10.887 1.00 0.00 N ATOM 146 CA SER A 11 -17.268 6.036 -12.251 1.00 0.00 C ATOM 147 C SER A 11 -15.744 5.956 -12.286 1.00 0.00 C ATOM 148 O SER A 11 -15.176 4.913 -12.607 1.00 0.00 O ATOM 149 CB SER A 11 -17.747 7.198 -13.121 1.00 0.00 C ATOM 150 OG SER A 11 -17.005 7.277 -14.325 1.00 0.00 O ATOM 0 H SER A 11 -18.244 7.073 -10.713 1.00 0.00 H new ATOM 0 HA SER A 11 -17.668 5.102 -12.645 1.00 0.00 H new ATOM 0 HB2 SER A 11 -18.805 7.072 -13.351 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.650 8.133 -12.569 1.00 0.00 H new ATOM 0 HG SER A 11 -17.333 8.028 -14.863 1.00 0.00 H new ATOM 156 N GLY A 12 -15.089 7.069 -11.965 1.00 0.00 N ATOM 157 CA GLY A 12 -13.637 7.109 -11.982 1.00 0.00 C ATOM 158 C GLY A 12 -13.014 6.298 -10.861 1.00 0.00 C ATOM 159 O GLY A 12 -12.636 6.847 -9.827 1.00 0.00 O ATOM 0 H GLY A 12 -15.538 7.944 -11.693 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.279 6.732 -12.940 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.306 8.144 -11.903 1.00 0.00 H new ATOM 163 N LEU A 13 -12.893 4.993 -11.076 1.00 0.00 N ATOM 164 CA LEU A 13 -12.303 4.103 -10.081 1.00 0.00 C ATOM 165 C LEU A 13 -10.812 4.383 -9.911 1.00 0.00 C ATOM 166 O LEU A 13 -10.386 4.926 -8.891 1.00 0.00 O ATOM 167 CB LEU A 13 -12.512 2.643 -10.488 1.00 0.00 C ATOM 168 CG LEU A 13 -13.764 1.982 -9.910 1.00 0.00 C ATOM 169 CD1 LEU A 13 -14.330 0.967 -10.891 1.00 0.00 C ATOM 170 CD2 LEU A 13 -13.450 1.321 -8.576 1.00 0.00 C ATOM 0 H LEU A 13 -13.196 4.527 -11.931 1.00 0.00 H new ATOM 0 HA LEU A 13 -12.800 4.286 -9.128 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -12.560 2.588 -11.576 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.640 2.067 -10.178 1.00 0.00 H new ATOM 0 HG LEU A 13 -14.516 2.753 -9.742 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -15.221 0.506 -10.464 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -14.592 1.468 -11.823 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -13.583 0.198 -11.090 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.352 0.856 -8.179 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.682 0.561 -8.719 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -13.090 2.073 -7.873 1.00 0.00 H new ATOM 182 N VAL A 14 -10.027 4.009 -10.918 1.00 0.00 N ATOM 183 CA VAL A 14 -8.583 4.214 -10.887 1.00 0.00 C ATOM 184 C VAL A 14 -8.216 5.695 -10.729 1.00 0.00 C ATOM 185 O VAL A 14 -7.348 6.031 -9.924 1.00 0.00 O ATOM 186 CB VAL A 14 -7.909 3.659 -12.158 1.00 0.00 C ATOM 187 CG1 VAL A 14 -6.394 3.750 -12.046 1.00 0.00 C ATOM 188 CG2 VAL A 14 -8.346 2.223 -12.410 1.00 0.00 C ATOM 0 H VAL A 14 -10.369 3.561 -11.768 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.216 3.669 -10.017 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.223 4.266 -13.007 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.938 3.353 -12.953 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.101 4.792 -11.918 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -6.057 3.170 -11.187 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.861 1.848 -13.311 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.063 1.602 -11.560 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.428 2.189 -12.540 1.00 0.00 H new ATOM 198 N PRO A 15 -8.862 6.607 -11.492 1.00 0.00 N ATOM 199 CA PRO A 15 -8.571 8.047 -11.415 1.00 0.00 C ATOM 200 C PRO A 15 -8.727 8.605 -10.002 1.00 0.00 C ATOM 201 O PRO A 15 -8.872 7.856 -9.036 1.00 0.00 O ATOM 202 CB PRO A 15 -9.605 8.677 -12.352 1.00 0.00 C ATOM 203 CG PRO A 15 -9.979 7.588 -13.293 1.00 0.00 C ATOM 204 CD PRO A 15 -9.906 6.317 -12.497 1.00 0.00 C ATOM 0 HA PRO A 15 -7.538 8.261 -11.691 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.472 9.037 -11.799 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -9.188 9.533 -12.883 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.982 7.743 -13.692 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.299 7.556 -14.144 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -10.861 6.080 -12.028 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.638 5.465 -13.122 1.00 0.00 H new ATOM 212 N ARG A 16 -8.717 9.931 -9.891 1.00 0.00 N ATOM 213 CA ARG A 16 -8.839 10.594 -8.595 1.00 0.00 C ATOM 214 C ARG A 16 -10.265 10.516 -8.050 1.00 0.00 C ATOM 215 O ARG A 16 -10.643 11.296 -7.176 1.00 0.00 O ATOM 216 CB ARG A 16 -8.405 12.057 -8.709 1.00 0.00 C ATOM 217 CG ARG A 16 -7.144 12.259 -9.536 1.00 0.00 C ATOM 218 CD ARG A 16 -5.892 11.953 -8.729 1.00 0.00 C ATOM 219 NE ARG A 16 -4.673 12.276 -9.466 1.00 0.00 N ATOM 220 CZ ARG A 16 -4.215 11.560 -10.489 1.00 0.00 C ATOM 221 NH1 ARG A 16 -4.873 10.485 -10.900 1.00 0.00 N ATOM 222 NH2 ARG A 16 -3.098 11.922 -11.104 1.00 0.00 N ATOM 0 H ARG A 16 -8.626 10.568 -10.683 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.185 10.073 -7.896 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.216 12.634 -9.153 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -8.240 12.457 -7.708 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -7.178 11.616 -10.415 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.104 13.287 -9.895 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.913 12.519 -7.798 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.884 10.897 -8.460 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.142 13.098 -9.179 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.734 10.204 -10.431 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.518 9.939 -11.685 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.590 12.750 -10.793 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.747 11.373 -11.889 1.00 0.00 H new ATOM 236 N GLY A 17 -11.051 9.572 -8.562 1.00 0.00 N ATOM 237 CA GLY A 17 -12.415 9.411 -8.095 1.00 0.00 C ATOM 238 C GLY A 17 -12.493 8.621 -6.803 1.00 0.00 C ATOM 239 O GLY A 17 -12.185 9.140 -5.731 1.00 0.00 O ATOM 0 H GLY A 17 -10.767 8.917 -9.291 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -12.863 10.393 -7.945 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -13.002 8.906 -8.862 1.00 0.00 H new ATOM 243 N SER A 18 -12.903 7.360 -6.907 1.00 0.00 N ATOM 244 CA SER A 18 -13.013 6.487 -5.743 1.00 0.00 C ATOM 245 C SER A 18 -11.655 5.898 -5.364 1.00 0.00 C ATOM 246 O SER A 18 -11.579 4.773 -4.867 1.00 0.00 O ATOM 247 CB SER A 18 -14.008 5.359 -6.024 1.00 0.00 C ATOM 248 OG SER A 18 -14.557 4.850 -4.820 1.00 0.00 O ATOM 0 H SER A 18 -13.165 6.919 -7.789 1.00 0.00 H new ATOM 0 HA SER A 18 -13.371 7.086 -4.906 1.00 0.00 H new ATOM 0 HB2 SER A 18 -14.809 5.728 -6.665 1.00 0.00 H new ATOM 0 HB3 SER A 18 -13.509 4.557 -6.567 1.00 0.00 H new ATOM 0 HG SER A 18 -13.833 4.550 -4.232 1.00 0.00 H new ATOM 254 N HIS A 19 -10.584 6.660 -5.605 1.00 0.00 N ATOM 255 CA HIS A 19 -9.226 6.206 -5.304 1.00 0.00 C ATOM 256 C HIS A 19 -9.150 5.509 -3.946 1.00 0.00 C ATOM 257 O HIS A 19 -8.413 4.538 -3.780 1.00 0.00 O ATOM 258 CB HIS A 19 -8.253 7.388 -5.339 1.00 0.00 C ATOM 259 CG HIS A 19 -8.533 8.430 -4.299 1.00 0.00 C ATOM 260 ND1 HIS A 19 -7.938 8.382 -3.059 1.00 0.00 N ATOM 261 CD2 HIS A 19 -9.341 9.515 -4.361 1.00 0.00 C ATOM 262 CE1 HIS A 19 -8.394 9.431 -2.399 1.00 0.00 C ATOM 263 NE2 HIS A 19 -9.246 10.146 -3.148 1.00 0.00 N ATOM 0 H HIS A 19 -10.633 7.596 -6.008 1.00 0.00 H new ATOM 0 HA HIS A 19 -8.945 5.481 -6.068 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -7.238 7.015 -5.203 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -8.293 7.851 -6.325 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -9.943 9.823 -5.203 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -8.116 9.681 -1.386 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -9.732 10.998 -2.868 1.00 0.00 H new ATOM 271 N MET A 20 -9.917 6.007 -2.978 1.00 0.00 N ATOM 272 CA MET A 20 -9.935 5.425 -1.641 1.00 0.00 C ATOM 273 C MET A 20 -10.450 3.989 -1.681 1.00 0.00 C ATOM 274 O MET A 20 -11.659 3.752 -1.683 1.00 0.00 O ATOM 275 CB MET A 20 -10.808 6.266 -0.709 1.00 0.00 C ATOM 276 CG MET A 20 -10.182 6.507 0.656 1.00 0.00 C ATOM 277 SD MET A 20 -10.819 5.388 1.918 1.00 0.00 S ATOM 278 CE MET A 20 -12.377 6.177 2.314 1.00 0.00 C ATOM 0 H MET A 20 -10.533 6.811 -3.096 1.00 0.00 H new ATOM 0 HA MET A 20 -8.914 5.416 -1.261 1.00 0.00 H new ATOM 0 HB2 MET A 20 -11.010 7.227 -1.182 1.00 0.00 H new ATOM 0 HB3 MET A 20 -11.769 5.768 -0.577 1.00 0.00 H new ATOM 0 HG2 MET A 20 -9.101 6.388 0.582 1.00 0.00 H new ATOM 0 HG3 MET A 20 -10.369 7.537 0.961 1.00 0.00 H new ATOM 0 HE1 MET A 20 -12.891 5.601 3.083 1.00 0.00 H new ATOM 0 HE2 MET A 20 -12.191 7.187 2.680 1.00 0.00 H new ATOM 0 HE3 MET A 20 -12.998 6.224 1.420 1.00 0.00 H new ATOM 288 N ALA A 21 -9.525 3.035 -1.718 1.00 0.00 N ATOM 289 CA ALA A 21 -9.884 1.622 -1.766 1.00 0.00 C ATOM 290 C ALA A 21 -10.564 1.182 -0.475 1.00 0.00 C ATOM 291 O ALA A 21 -10.377 1.793 0.578 1.00 0.00 O ATOM 292 CB ALA A 21 -8.651 0.773 -2.032 1.00 0.00 C ATOM 0 H ALA A 21 -8.521 3.215 -1.716 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.592 1.481 -2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.934 -0.279 -2.065 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.210 1.061 -2.987 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.924 0.928 -1.235 1.00 0.00 H new ATOM 298 N LYS A 22 -11.358 0.120 -0.566 1.00 0.00 N ATOM 299 CA LYS A 22 -12.066 -0.409 0.595 1.00 0.00 C ATOM 300 C LYS A 22 -11.236 -1.481 1.296 1.00 0.00 C ATOM 301 O LYS A 22 -11.780 -2.427 1.868 1.00 0.00 O ATOM 302 CB LYS A 22 -13.424 -0.986 0.180 1.00 0.00 C ATOM 303 CG LYS A 22 -13.449 -1.539 -1.236 1.00 0.00 C ATOM 304 CD LYS A 22 -14.258 -2.823 -1.321 1.00 0.00 C ATOM 305 CE LYS A 22 -14.344 -3.332 -2.751 1.00 0.00 C ATOM 306 NZ LYS A 22 -15.578 -4.132 -2.984 1.00 0.00 N ATOM 0 H LYS A 22 -11.528 -0.392 -1.432 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.230 0.413 1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -13.699 -1.780 0.875 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -14.182 -0.208 0.269 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.874 -0.795 -1.910 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.429 -1.728 -1.572 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.801 -3.585 -0.689 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -15.262 -2.648 -0.935 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.325 -2.487 -3.439 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.469 -3.943 -2.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.598 -4.460 -3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.585 -4.953 -2.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -16.414 -3.542 -2.798 1.00 0.00 H new ATOM 320 N TYR A 23 -9.917 -1.327 1.246 1.00 0.00 N ATOM 321 CA TYR A 23 -9.010 -2.281 1.877 1.00 0.00 C ATOM 322 C TYR A 23 -8.543 -1.770 3.235 1.00 0.00 C ATOM 323 O TYR A 23 -8.543 -0.565 3.489 1.00 0.00 O ATOM 324 CB TYR A 23 -7.802 -2.541 0.975 1.00 0.00 C ATOM 325 CG TYR A 23 -7.883 -3.841 0.206 1.00 0.00 C ATOM 326 CD1 TYR A 23 -7.800 -5.064 0.860 1.00 0.00 C ATOM 327 CD2 TYR A 23 -8.038 -3.844 -1.174 1.00 0.00 C ATOM 328 CE1 TYR A 23 -7.872 -6.253 0.160 1.00 0.00 C ATOM 329 CE2 TYR A 23 -8.110 -5.029 -1.881 1.00 0.00 C ATOM 330 CZ TYR A 23 -8.027 -6.230 -1.209 1.00 0.00 C ATOM 331 OH TYR A 23 -8.098 -7.412 -1.911 1.00 0.00 O ATOM 0 H TYR A 23 -9.452 -0.551 0.775 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.551 -3.215 2.026 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.704 -1.717 0.268 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.899 -2.546 1.585 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.677 -5.086 1.933 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.103 -2.905 -1.703 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.807 -7.196 0.683 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -8.231 -5.015 -2.954 1.00 0.00 H new ATOM 0 HH TYR A 23 -8.208 -7.219 -2.866 1.00 0.00 H new ATOM 341 N GLN A 24 -8.146 -2.692 4.106 1.00 0.00 N ATOM 342 CA GLN A 24 -7.676 -2.334 5.440 1.00 0.00 C ATOM 343 C GLN A 24 -6.163 -2.136 5.450 1.00 0.00 C ATOM 344 O GLN A 24 -5.401 -3.100 5.509 1.00 0.00 O ATOM 345 CB GLN A 24 -8.066 -3.417 6.448 1.00 0.00 C ATOM 346 CG GLN A 24 -8.431 -2.868 7.819 1.00 0.00 C ATOM 347 CD GLN A 24 -7.765 -3.631 8.948 1.00 0.00 C ATOM 348 OE1 GLN A 24 -7.567 -4.842 8.862 1.00 0.00 O ATOM 349 NE2 GLN A 24 -7.416 -2.922 10.015 1.00 0.00 N ATOM 0 H GLN A 24 -8.140 -3.693 3.912 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.149 -1.394 5.724 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.912 -3.981 6.054 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.238 -4.118 6.555 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.142 -1.818 7.875 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.513 -2.908 7.946 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.600 -1.919 10.043 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.964 -3.380 10.806 1.00 0.00 H new ATOM 358 N VAL A 25 -5.737 -0.877 5.395 1.00 0.00 N ATOM 359 CA VAL A 25 -4.316 -0.549 5.399 1.00 0.00 C ATOM 360 C VAL A 25 -3.656 -0.995 6.701 1.00 0.00 C ATOM 361 O VAL A 25 -4.288 -0.992 7.759 1.00 0.00 O ATOM 362 CB VAL A 25 -4.088 0.964 5.203 1.00 0.00 C ATOM 363 CG1 VAL A 25 -2.601 1.283 5.132 1.00 0.00 C ATOM 364 CG2 VAL A 25 -4.803 1.452 3.953 1.00 0.00 C ATOM 0 H VAL A 25 -6.356 -0.068 5.347 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.861 -1.084 4.565 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.504 1.487 6.064 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.465 2.356 4.994 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.118 0.973 6.058 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.154 0.749 4.293 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.632 2.521 3.830 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.418 0.920 3.083 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.872 1.265 4.049 1.00 0.00 H new ATOM 374 N THR A 26 -2.386 -1.384 6.618 1.00 0.00 N ATOM 375 CA THR A 26 -1.650 -1.844 7.788 1.00 0.00 C ATOM 376 C THR A 26 -0.500 -0.901 8.129 1.00 0.00 C ATOM 377 O THR A 26 -0.455 -0.339 9.225 1.00 0.00 O ATOM 378 CB THR A 26 -1.113 -3.258 7.555 1.00 0.00 C ATOM 379 OG1 THR A 26 -1.743 -3.853 6.434 1.00 0.00 O ATOM 380 CG2 THR A 26 -1.315 -4.179 8.738 1.00 0.00 C ATOM 0 H THR A 26 -1.847 -1.389 5.752 1.00 0.00 H new ATOM 0 HA THR A 26 -2.341 -1.855 8.631 1.00 0.00 H new ATOM 0 HB THR A 26 -0.042 -3.137 7.390 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.655 -4.828 6.488 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.912 -5.164 8.505 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.799 -3.772 9.608 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.380 -4.265 8.955 1.00 0.00 H new ATOM 388 N LYS A 27 0.433 -0.734 7.194 1.00 0.00 N ATOM 389 CA LYS A 27 1.593 0.121 7.427 1.00 0.00 C ATOM 390 C LYS A 27 1.628 1.306 6.463 1.00 0.00 C ATOM 391 O LYS A 27 0.996 1.284 5.408 1.00 0.00 O ATOM 392 CB LYS A 27 2.881 -0.695 7.293 1.00 0.00 C ATOM 393 CG LYS A 27 3.783 -0.616 8.514 1.00 0.00 C ATOM 394 CD LYS A 27 5.089 0.094 8.198 1.00 0.00 C ATOM 395 CE LYS A 27 6.229 -0.893 8.010 1.00 0.00 C ATOM 396 NZ LYS A 27 7.080 -0.545 6.839 1.00 0.00 N ATOM 0 H LYS A 27 0.409 -1.176 6.275 1.00 0.00 H new ATOM 0 HA LYS A 27 1.513 0.517 8.439 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.623 -1.738 7.110 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.433 -0.345 6.421 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.266 -0.089 9.316 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.993 -1.622 8.878 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.970 0.691 7.294 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.334 0.784 9.005 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.843 -0.914 8.911 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.822 -1.896 7.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.055 -0.864 7.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.708 -1.013 5.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.073 0.485 6.699 1.00 0.00 H new ATOM 410 N THR A 28 2.363 2.347 6.848 1.00 0.00 N ATOM 411 CA THR A 28 2.510 3.538 6.020 1.00 0.00 C ATOM 412 C THR A 28 3.966 3.994 5.991 1.00 0.00 C ATOM 413 O THR A 28 4.484 4.504 6.985 1.00 0.00 O ATOM 414 CB THR A 28 1.623 4.669 6.544 1.00 0.00 C ATOM 415 OG1 THR A 28 0.293 4.218 6.726 1.00 0.00 O ATOM 416 CG2 THR A 28 1.581 5.869 5.624 1.00 0.00 C ATOM 0 H THR A 28 2.868 2.388 7.733 1.00 0.00 H new ATOM 0 HA THR A 28 2.199 3.286 5.006 1.00 0.00 H new ATOM 0 HB THR A 28 2.069 4.974 7.491 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.259 4.954 7.063 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.935 6.634 6.054 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.587 6.270 5.503 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.190 5.569 4.652 1.00 0.00 H new ATOM 424 N LEU A 29 4.627 3.802 4.853 1.00 0.00 N ATOM 425 CA LEU A 29 6.025 4.186 4.714 1.00 0.00 C ATOM 426 C LEU A 29 6.168 5.438 3.858 1.00 0.00 C ATOM 427 O LEU A 29 5.907 5.413 2.658 1.00 0.00 O ATOM 428 CB LEU A 29 6.831 3.041 4.098 1.00 0.00 C ATOM 429 CG LEU A 29 8.346 3.151 4.279 1.00 0.00 C ATOM 430 CD1 LEU A 29 8.964 1.771 4.444 1.00 0.00 C ATOM 431 CD2 LEU A 29 8.971 3.884 3.104 1.00 0.00 C ATOM 0 H LEU A 29 4.217 3.384 4.017 1.00 0.00 H new ATOM 0 HA LEU A 29 6.413 4.404 5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.494 2.102 4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.609 2.992 3.032 1.00 0.00 H new ATOM 0 HG LEU A 29 8.546 3.725 5.184 1.00 0.00 H new ATOM 0 HD11 LEU A 29 10.042 1.868 4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.537 1.284 5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.756 1.171 3.558 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.049 3.953 3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.764 3.339 2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.549 4.887 3.035 1.00 0.00 H new ATOM 443 N ASP A 30 6.594 6.530 4.484 1.00 0.00 N ATOM 444 CA ASP A 30 6.792 7.794 3.782 1.00 0.00 C ATOM 445 C ASP A 30 8.135 8.408 4.159 1.00 0.00 C ATOM 446 O ASP A 30 8.319 8.877 5.283 1.00 0.00 O ATOM 447 CB ASP A 30 5.659 8.768 4.110 1.00 0.00 C ATOM 448 CG ASP A 30 5.093 8.551 5.500 1.00 0.00 C ATOM 449 OD1 ASP A 30 5.733 8.993 6.478 1.00 0.00 O ATOM 450 OD2 ASP A 30 4.010 7.938 5.611 1.00 0.00 O ATOM 0 H ASP A 30 6.810 6.565 5.480 1.00 0.00 H new ATOM 0 HA ASP A 30 6.786 7.597 2.710 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.027 9.791 4.026 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.862 8.655 3.375 1.00 0.00 H new ATOM 455 N VAL A 31 9.083 8.373 3.227 1.00 0.00 N ATOM 456 CA VAL A 31 10.419 8.905 3.478 1.00 0.00 C ATOM 457 C VAL A 31 10.941 9.693 2.281 1.00 0.00 C ATOM 458 O VAL A 31 11.841 9.238 1.572 1.00 0.00 O ATOM 459 CB VAL A 31 11.426 7.783 3.810 1.00 0.00 C ATOM 460 CG1 VAL A 31 12.587 8.332 4.625 1.00 0.00 C ATOM 461 CG2 VAL A 31 10.742 6.641 4.547 1.00 0.00 C ATOM 0 H VAL A 31 8.952 7.983 2.294 1.00 0.00 H new ATOM 0 HA VAL A 31 10.327 9.570 4.337 1.00 0.00 H new ATOM 0 HB VAL A 31 11.820 7.390 2.873 1.00 0.00 H new ATOM 0 HG11 VAL A 31 13.287 7.527 4.850 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.098 9.108 4.054 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.210 8.755 5.556 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.472 5.863 4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.313 7.013 5.477 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.950 6.227 3.922 1.00 0.00 H new ATOM 471 N ARG A 32 10.387 10.881 2.071 1.00 0.00 N ATOM 472 CA ARG A 32 10.814 11.738 0.971 1.00 0.00 C ATOM 473 C ARG A 32 12.299 12.063 1.086 1.00 0.00 C ATOM 474 O ARG A 32 13.145 11.354 0.540 1.00 0.00 O ATOM 475 CB ARG A 32 9.992 13.029 0.949 1.00 0.00 C ATOM 476 CG ARG A 32 9.862 13.641 -0.437 1.00 0.00 C ATOM 477 CD ARG A 32 10.877 14.751 -0.653 1.00 0.00 C ATOM 478 NE ARG A 32 10.252 15.976 -1.144 1.00 0.00 N ATOM 479 CZ ARG A 32 10.865 16.856 -1.930 1.00 0.00 C ATOM 480 NH1 ARG A 32 12.119 16.649 -2.313 1.00 0.00 N ATOM 481 NH2 ARG A 32 10.226 17.946 -2.333 1.00 0.00 N ATOM 0 H ARG A 32 9.642 11.273 2.647 1.00 0.00 H new ATOM 0 HA ARG A 32 10.649 11.201 0.037 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.996 12.823 1.342 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.454 13.756 1.617 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.001 12.867 -1.192 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.855 14.037 -0.568 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.393 14.958 0.285 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.632 14.418 -1.366 1.00 0.00 H new ATOM 0 HE ARG A 32 9.289 16.168 -0.868 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.615 15.813 -2.004 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.586 17.326 -2.916 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.263 18.110 -2.040 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.698 18.620 -2.936 1.00 0.00 H new ATOM 495 N GLY A 33 12.607 13.132 1.806 1.00 0.00 N ATOM 496 CA GLY A 33 13.990 13.526 2.001 1.00 0.00 C ATOM 497 C GLY A 33 14.664 12.727 3.099 1.00 0.00 C ATOM 498 O GLY A 33 14.495 13.021 4.282 1.00 0.00 O ATOM 0 H GLY A 33 11.922 13.736 2.261 1.00 0.00 H new ATOM 0 HA2 GLY A 33 14.539 13.393 1.069 1.00 0.00 H new ATOM 0 HA3 GLY A 33 14.032 14.587 2.248 1.00 0.00 H new ATOM 502 N GLU A 34 15.421 11.706 2.707 1.00 0.00 N ATOM 503 CA GLU A 34 16.108 10.850 3.668 1.00 0.00 C ATOM 504 C GLU A 34 17.522 11.353 3.945 1.00 0.00 C ATOM 505 O GLU A 34 18.072 12.147 3.182 1.00 0.00 O ATOM 506 CB GLU A 34 16.160 9.410 3.149 1.00 0.00 C ATOM 507 CG GLU A 34 17.218 9.184 2.078 1.00 0.00 C ATOM 508 CD GLU A 34 17.538 7.717 1.871 1.00 0.00 C ATOM 509 OE1 GLU A 34 17.858 7.033 2.866 1.00 0.00 O ATOM 510 OE2 GLU A 34 17.470 7.252 0.714 1.00 0.00 O ATOM 0 H GLU A 34 15.574 11.452 1.731 1.00 0.00 H new ATOM 0 HA GLU A 34 15.547 10.877 4.602 1.00 0.00 H new ATOM 0 HB2 GLU A 34 16.353 8.738 3.985 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.184 9.143 2.745 1.00 0.00 H new ATOM 0 HG2 GLU A 34 16.874 9.613 1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.129 9.715 2.355 1.00 0.00 H new ATOM 517 N VAL A 35 18.106 10.875 5.040 1.00 0.00 N ATOM 518 CA VAL A 35 19.464 11.255 5.417 1.00 0.00 C ATOM 519 C VAL A 35 20.274 10.035 5.841 1.00 0.00 C ATOM 520 O VAL A 35 20.926 9.393 5.017 1.00 0.00 O ATOM 521 CB VAL A 35 19.490 12.306 6.540 1.00 0.00 C ATOM 522 CG1 VAL A 35 20.271 13.536 6.101 1.00 0.00 C ATOM 523 CG2 VAL A 35 18.081 12.687 6.960 1.00 0.00 C ATOM 0 H VAL A 35 17.659 10.222 5.683 1.00 0.00 H new ATOM 0 HA VAL A 35 19.916 11.701 4.531 1.00 0.00 H new ATOM 0 HB VAL A 35 19.992 11.869 7.403 1.00 0.00 H new ATOM 0 HG11 VAL A 35 20.279 14.269 6.908 1.00 0.00 H new ATOM 0 HG12 VAL A 35 21.295 13.250 5.860 1.00 0.00 H new ATOM 0 HG13 VAL A 35 19.799 13.971 5.220 1.00 0.00 H new ATOM 0 HG21 VAL A 35 18.127 13.431 7.755 1.00 0.00 H new ATOM 0 HG22 VAL A 35 17.546 13.101 6.105 1.00 0.00 H new ATOM 0 HG23 VAL A 35 17.557 11.802 7.321 1.00 0.00 H new ATOM 533 N CYS A 36 20.221 9.719 7.125 1.00 0.00 N ATOM 534 CA CYS A 36 20.941 8.572 7.667 1.00 0.00 C ATOM 535 C CYS A 36 20.437 7.272 7.042 1.00 0.00 C ATOM 536 O CYS A 36 19.297 7.197 6.586 1.00 0.00 O ATOM 537 CB CYS A 36 20.779 8.518 9.188 1.00 0.00 C ATOM 538 SG CYS A 36 20.814 10.136 9.993 1.00 0.00 S ATOM 0 H CYS A 36 19.684 10.242 7.817 1.00 0.00 H new ATOM 0 HA CYS A 36 21.998 8.685 7.425 1.00 0.00 H new ATOM 0 HB2 CYS A 36 19.835 8.027 9.425 1.00 0.00 H new ATOM 0 HB3 CYS A 36 21.574 7.899 9.605 1.00 0.00 H new ATOM 0 HG CYS A 36 20.667 9.986 11.276 1.00 0.00 H new ATOM 544 N PRO A 37 21.282 6.224 7.015 1.00 0.00 N ATOM 545 CA PRO A 37 20.917 4.930 6.434 1.00 0.00 C ATOM 546 C PRO A 37 20.031 4.100 7.359 1.00 0.00 C ATOM 547 O PRO A 37 19.903 2.888 7.185 1.00 0.00 O ATOM 548 CB PRO A 37 22.269 4.247 6.242 1.00 0.00 C ATOM 549 CG PRO A 37 23.122 4.804 7.327 1.00 0.00 C ATOM 550 CD PRO A 37 22.668 6.226 7.529 1.00 0.00 C ATOM 0 HA PRO A 37 20.338 5.043 5.517 1.00 0.00 H new ATOM 0 HB2 PRO A 37 22.182 3.163 6.322 1.00 0.00 H new ATOM 0 HB3 PRO A 37 22.687 4.462 5.258 1.00 0.00 H new ATOM 0 HG2 PRO A 37 23.012 4.226 8.245 1.00 0.00 H new ATOM 0 HG3 PRO A 37 24.176 4.767 7.052 1.00 0.00 H new ATOM 0 HD2 PRO A 37 22.706 6.514 8.580 1.00 0.00 H new ATOM 0 HD3 PRO A 37 23.297 6.929 6.983 1.00 0.00 H new ATOM 558 N VAL A 38 19.425 4.757 8.342 1.00 0.00 N ATOM 559 CA VAL A 38 18.556 4.074 9.296 1.00 0.00 C ATOM 560 C VAL A 38 17.299 3.522 8.614 1.00 0.00 C ATOM 561 O VAL A 38 17.002 2.334 8.738 1.00 0.00 O ATOM 562 CB VAL A 38 18.149 5.001 10.460 1.00 0.00 C ATOM 563 CG1 VAL A 38 17.364 4.229 11.511 1.00 0.00 C ATOM 564 CG2 VAL A 38 19.376 5.657 11.075 1.00 0.00 C ATOM 0 H VAL A 38 19.519 5.760 8.500 1.00 0.00 H new ATOM 0 HA VAL A 38 19.131 3.241 9.700 1.00 0.00 H new ATOM 0 HB VAL A 38 17.505 5.787 10.065 1.00 0.00 H new ATOM 0 HG11 VAL A 38 17.086 4.900 12.324 1.00 0.00 H new ATOM 0 HG12 VAL A 38 16.463 3.813 11.060 1.00 0.00 H new ATOM 0 HG13 VAL A 38 17.980 3.420 11.903 1.00 0.00 H new ATOM 0 HG21 VAL A 38 19.069 6.307 11.894 1.00 0.00 H new ATOM 0 HG22 VAL A 38 20.048 4.888 11.455 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.891 6.247 10.317 1.00 0.00 H new ATOM 574 N PRO A 39 16.542 4.364 7.876 1.00 0.00 N ATOM 575 CA PRO A 39 15.323 3.922 7.188 1.00 0.00 C ATOM 576 C PRO A 39 15.620 2.926 6.072 1.00 0.00 C ATOM 577 O PRO A 39 14.747 2.162 5.661 1.00 0.00 O ATOM 578 CB PRO A 39 14.734 5.215 6.602 1.00 0.00 C ATOM 579 CG PRO A 39 15.435 6.326 7.309 1.00 0.00 C ATOM 580 CD PRO A 39 16.795 5.798 7.657 1.00 0.00 C ATOM 0 HA PRO A 39 14.645 3.406 7.868 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.898 5.269 5.526 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.657 5.264 6.763 1.00 0.00 H new ATOM 0 HG2 PRO A 39 15.509 7.208 6.673 1.00 0.00 H new ATOM 0 HG3 PRO A 39 14.891 6.624 8.205 1.00 0.00 H new ATOM 0 HD2 PRO A 39 17.511 5.964 6.852 1.00 0.00 H new ATOM 0 HD3 PRO A 39 17.199 6.278 8.548 1.00 0.00 H new ATOM 588 N ASP A 40 16.856 2.944 5.584 1.00 0.00 N ATOM 589 CA ASP A 40 17.270 2.047 4.511 1.00 0.00 C ATOM 590 C ASP A 40 17.208 0.592 4.960 1.00 0.00 C ATOM 591 O ASP A 40 16.524 -0.229 4.348 1.00 0.00 O ATOM 592 CB ASP A 40 18.689 2.389 4.051 1.00 0.00 C ATOM 593 CG ASP A 40 18.717 2.992 2.661 1.00 0.00 C ATOM 594 OD1 ASP A 40 17.852 3.842 2.365 1.00 0.00 O ATOM 595 OD2 ASP A 40 19.604 2.611 1.867 1.00 0.00 O ATOM 0 H ASP A 40 17.589 3.571 5.915 1.00 0.00 H new ATOM 0 HA ASP A 40 16.581 2.180 3.677 1.00 0.00 H new ATOM 0 HB2 ASP A 40 19.138 3.088 4.756 1.00 0.00 H new ATOM 0 HB3 ASP A 40 19.300 1.486 4.065 1.00 0.00 H new ATOM 600 N VAL A 41 17.931 0.276 6.031 1.00 0.00 N ATOM 601 CA VAL A 41 17.961 -1.082 6.561 1.00 0.00 C ATOM 602 C VAL A 41 16.604 -1.477 7.138 1.00 0.00 C ATOM 603 O VAL A 41 16.257 -2.658 7.179 1.00 0.00 O ATOM 604 CB VAL A 41 19.037 -1.238 7.652 1.00 0.00 C ATOM 605 CG1 VAL A 41 19.242 -2.706 7.997 1.00 0.00 C ATOM 606 CG2 VAL A 41 20.344 -0.599 7.206 1.00 0.00 C ATOM 0 H VAL A 41 18.504 0.943 6.548 1.00 0.00 H new ATOM 0 HA VAL A 41 18.204 -1.741 5.727 1.00 0.00 H new ATOM 0 HB VAL A 41 18.695 -0.724 8.550 1.00 0.00 H new ATOM 0 HG11 VAL A 41 20.006 -2.795 8.769 1.00 0.00 H new ATOM 0 HG12 VAL A 41 18.306 -3.128 8.362 1.00 0.00 H new ATOM 0 HG13 VAL A 41 19.561 -3.248 7.107 1.00 0.00 H new ATOM 0 HG21 VAL A 41 21.093 -0.718 7.989 1.00 0.00 H new ATOM 0 HG22 VAL A 41 20.693 -1.082 6.293 1.00 0.00 H new ATOM 0 HG23 VAL A 41 20.184 0.462 7.016 1.00 0.00 H new ATOM 616 N GLU A 42 15.841 -0.482 7.578 1.00 0.00 N ATOM 617 CA GLU A 42 14.521 -0.724 8.151 1.00 0.00 C ATOM 618 C GLU A 42 13.581 -1.332 7.117 1.00 0.00 C ATOM 619 O GLU A 42 13.082 -2.444 7.293 1.00 0.00 O ATOM 620 CB GLU A 42 13.928 0.578 8.691 1.00 0.00 C ATOM 621 CG GLU A 42 12.574 0.397 9.358 1.00 0.00 C ATOM 622 CD GLU A 42 12.524 0.992 10.752 1.00 0.00 C ATOM 623 OE1 GLU A 42 13.143 2.055 10.967 1.00 0.00 O ATOM 624 OE2 GLU A 42 11.865 0.395 11.629 1.00 0.00 O ATOM 0 H GLU A 42 16.114 0.500 7.549 1.00 0.00 H new ATOM 0 HA GLU A 42 14.635 -1.431 8.972 1.00 0.00 H new ATOM 0 HB2 GLU A 42 14.623 1.014 9.409 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.828 1.290 7.872 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.805 0.862 8.741 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.340 -0.666 9.413 1.00 0.00 H new ATOM 631 N THR A 43 13.336 -0.591 6.039 1.00 0.00 N ATOM 632 CA THR A 43 12.453 -1.059 4.978 1.00 0.00 C ATOM 633 C THR A 43 12.983 -2.349 4.362 1.00 0.00 C ATOM 634 O THR A 43 12.216 -3.166 3.854 1.00 0.00 O ATOM 635 CB THR A 43 12.303 0.015 3.899 1.00 0.00 C ATOM 636 OG1 THR A 43 11.443 -0.433 2.866 1.00 0.00 O ATOM 637 CG2 THR A 43 13.616 0.418 3.262 1.00 0.00 C ATOM 0 H THR A 43 13.736 0.333 5.879 1.00 0.00 H new ATOM 0 HA THR A 43 11.475 -1.261 5.414 1.00 0.00 H new ATOM 0 HB THR A 43 11.889 0.883 4.412 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.800 -0.151 1.998 1.00 0.00 H new ATOM 0 HG21 THR A 43 13.434 1.183 2.507 1.00 0.00 H new ATOM 0 HG22 THR A 43 14.285 0.814 4.026 1.00 0.00 H new ATOM 0 HG23 THR A 43 14.076 -0.453 2.794 1.00 0.00 H new ATOM 645 N LYS A 44 14.300 -2.526 4.419 1.00 0.00 N ATOM 646 CA LYS A 44 14.935 -3.722 3.878 1.00 0.00 C ATOM 647 C LYS A 44 14.408 -4.972 4.574 1.00 0.00 C ATOM 648 O LYS A 44 14.078 -5.965 3.925 1.00 0.00 O ATOM 649 CB LYS A 44 16.454 -3.633 4.038 1.00 0.00 C ATOM 650 CG LYS A 44 17.227 -4.306 2.916 1.00 0.00 C ATOM 651 CD LYS A 44 17.459 -3.354 1.753 1.00 0.00 C ATOM 652 CE LYS A 44 17.670 -4.105 0.446 1.00 0.00 C ATOM 653 NZ LYS A 44 16.971 -5.420 0.437 1.00 0.00 N ATOM 0 H LYS A 44 14.947 -1.856 4.834 1.00 0.00 H new ATOM 0 HA LYS A 44 14.694 -3.789 2.817 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.744 -2.584 4.089 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.738 -4.088 4.987 1.00 0.00 H new ATOM 0 HG2 LYS A 44 18.186 -4.661 3.294 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.678 -5.181 2.568 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.605 -2.684 1.654 1.00 0.00 H new ATOM 0 HD3 LYS A 44 18.330 -2.732 1.960 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.309 -3.497 -0.383 1.00 0.00 H new ATOM 0 HE3 LYS A 44 18.737 -4.261 0.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.878 -5.757 -0.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.520 -6.109 0.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.026 -5.314 0.858 1.00 0.00 H new ATOM 667 N ARG A 45 14.318 -4.909 5.900 1.00 0.00 N ATOM 668 CA ARG A 45 13.817 -6.031 6.684 1.00 0.00 C ATOM 669 C ARG A 45 12.352 -6.301 6.366 1.00 0.00 C ATOM 670 O ARG A 45 11.898 -7.446 6.406 1.00 0.00 O ATOM 671 CB ARG A 45 13.985 -5.752 8.176 1.00 0.00 C ATOM 672 CG ARG A 45 13.771 -6.975 9.053 1.00 0.00 C ATOM 673 CD ARG A 45 12.386 -6.979 9.678 1.00 0.00 C ATOM 674 NE ARG A 45 12.338 -7.775 10.901 1.00 0.00 N ATOM 675 CZ ARG A 45 11.968 -7.293 12.083 1.00 0.00 C ATOM 676 NH1 ARG A 45 11.613 -6.019 12.202 1.00 0.00 N ATOM 677 NH2 ARG A 45 11.953 -8.082 13.148 1.00 0.00 N ATOM 0 H ARG A 45 14.585 -4.094 6.452 1.00 0.00 H new ATOM 0 HA ARG A 45 14.397 -6.916 6.421 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.986 -5.359 8.353 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.281 -4.975 8.473 1.00 0.00 H new ATOM 0 HG2 ARG A 45 13.905 -7.878 8.458 1.00 0.00 H new ATOM 0 HG3 ARG A 45 14.526 -6.996 9.839 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.086 -5.955 9.900 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.666 -7.373 8.961 1.00 0.00 H new ATOM 0 HE ARG A 45 12.604 -8.758 10.845 1.00 0.00 H new ATOM 0 HH11 ARG A 45 11.624 -5.408 11.385 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.329 -5.651 13.110 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.226 -9.061 13.061 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.669 -7.710 14.054 1.00 0.00 H new ATOM 691 N ALA A 46 11.616 -5.240 6.048 1.00 0.00 N ATOM 692 CA ALA A 46 10.201 -5.362 5.717 1.00 0.00 C ATOM 693 C ALA A 46 10.000 -6.272 4.509 1.00 0.00 C ATOM 694 O ALA A 46 9.060 -7.067 4.469 1.00 0.00 O ATOM 695 CB ALA A 46 9.599 -3.990 5.454 1.00 0.00 C ATOM 0 H ALA A 46 11.977 -4.286 6.013 1.00 0.00 H new ATOM 0 HA ALA A 46 9.690 -5.811 6.569 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.543 -4.097 5.208 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.703 -3.370 6.345 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.119 -3.518 4.621 1.00 0.00 H new ATOM 701 N LEU A 47 10.891 -6.152 3.530 1.00 0.00 N ATOM 702 CA LEU A 47 10.816 -6.969 2.324 1.00 0.00 C ATOM 703 C LEU A 47 11.130 -8.427 2.643 1.00 0.00 C ATOM 704 O LEU A 47 10.571 -9.341 2.035 1.00 0.00 O ATOM 705 CB LEU A 47 11.792 -6.450 1.262 1.00 0.00 C ATOM 706 CG LEU A 47 12.021 -4.939 1.266 1.00 0.00 C ATOM 707 CD1 LEU A 47 12.968 -4.544 0.142 1.00 0.00 C ATOM 708 CD2 LEU A 47 10.703 -4.189 1.143 1.00 0.00 C ATOM 0 H LEU A 47 11.673 -5.497 3.548 1.00 0.00 H new ATOM 0 HA LEU A 47 9.800 -6.904 1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.752 -6.946 1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.422 -6.742 0.279 1.00 0.00 H new ATOM 0 HG LEU A 47 12.477 -4.666 2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.121 -3.465 0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.925 -5.048 0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.537 -4.835 -0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 47 10.893 -3.116 1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 47 10.212 -4.466 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.058 -4.447 1.983 1.00 0.00 H new ATOM 720 N GLN A 48 12.031 -8.634 3.598 1.00 0.00 N ATOM 721 CA GLN A 48 12.420 -9.979 4.004 1.00 0.00 C ATOM 722 C GLN A 48 11.404 -10.573 4.974 1.00 0.00 C ATOM 723 O GLN A 48 11.430 -11.769 5.260 1.00 0.00 O ATOM 724 CB GLN A 48 13.806 -9.956 4.652 1.00 0.00 C ATOM 725 CG GLN A 48 14.878 -10.637 3.817 1.00 0.00 C ATOM 726 CD GLN A 48 16.106 -11.001 4.627 1.00 0.00 C ATOM 727 OE1 GLN A 48 16.525 -10.255 5.512 1.00 0.00 O ATOM 728 NE2 GLN A 48 16.694 -12.154 4.327 1.00 0.00 N ATOM 0 H GLN A 48 12.505 -7.887 4.105 1.00 0.00 H new ATOM 0 HA GLN A 48 12.451 -10.605 3.112 1.00 0.00 H new ATOM 0 HB2 GLN A 48 14.098 -8.921 4.829 1.00 0.00 H new ATOM 0 HB3 GLN A 48 13.751 -10.443 5.626 1.00 0.00 H new ATOM 0 HG2 GLN A 48 14.464 -11.539 3.367 1.00 0.00 H new ATOM 0 HG3 GLN A 48 15.169 -9.978 2.999 1.00 0.00 H new ATOM 0 HE21 GLN A 48 16.314 -12.743 3.586 1.00 0.00 H new ATOM 0 HE22 GLN A 48 17.526 -12.451 4.838 1.00 0.00 H new ATOM 737 N ASN A 49 10.512 -9.727 5.484 1.00 0.00 N ATOM 738 CA ASN A 49 9.494 -10.169 6.428 1.00 0.00 C ATOM 739 C ASN A 49 8.124 -9.590 6.077 1.00 0.00 C ATOM 740 O ASN A 49 7.604 -8.729 6.787 1.00 0.00 O ATOM 741 CB ASN A 49 9.884 -9.763 7.852 1.00 0.00 C ATOM 742 CG ASN A 49 9.130 -10.550 8.906 1.00 0.00 C ATOM 743 OD1 ASN A 49 8.064 -10.137 9.362 1.00 0.00 O ATOM 744 ND2 ASN A 49 9.682 -11.692 9.300 1.00 0.00 N ATOM 0 H ASN A 49 10.475 -8.733 5.258 1.00 0.00 H new ATOM 0 HA ASN A 49 9.429 -11.255 6.368 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.955 -9.912 7.989 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.690 -8.699 7.989 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.221 -12.264 10.007 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.567 -11.997 8.895 1.00 0.00 H new ATOM 751 N MET A 50 7.540 -10.079 4.988 1.00 0.00 N ATOM 752 CA MET A 50 6.230 -9.611 4.545 1.00 0.00 C ATOM 753 C MET A 50 5.129 -10.581 4.967 1.00 0.00 C ATOM 754 O MET A 50 5.197 -11.775 4.676 1.00 0.00 O ATOM 755 CB MET A 50 6.217 -9.435 3.025 1.00 0.00 C ATOM 756 CG MET A 50 7.543 -8.967 2.456 1.00 0.00 C ATOM 757 SD MET A 50 7.703 -9.305 0.692 1.00 0.00 S ATOM 758 CE MET A 50 7.855 -7.643 0.042 1.00 0.00 C ATOM 0 H MET A 50 7.953 -10.799 4.395 1.00 0.00 H new ATOM 0 HA MET A 50 6.038 -8.648 5.018 1.00 0.00 H new ATOM 0 HB2 MET A 50 5.946 -10.383 2.560 1.00 0.00 H new ATOM 0 HB3 MET A 50 5.443 -8.716 2.758 1.00 0.00 H new ATOM 0 HG2 MET A 50 7.649 -7.896 2.627 1.00 0.00 H new ATOM 0 HG3 MET A 50 8.356 -9.458 2.991 1.00 0.00 H new ATOM 0 HE1 MET A 50 7.378 -7.590 -0.937 1.00 0.00 H new ATOM 0 HE2 MET A 50 7.370 -6.941 0.721 1.00 0.00 H new ATOM 0 HE3 MET A 50 8.910 -7.385 -0.054 1.00 0.00 H new ATOM 768 N LYS A 51 4.114 -10.057 5.650 1.00 0.00 N ATOM 769 CA LYS A 51 2.994 -10.873 6.109 1.00 0.00 C ATOM 770 C LYS A 51 1.977 -11.086 4.988 1.00 0.00 C ATOM 771 O LYS A 51 1.822 -10.233 4.114 1.00 0.00 O ATOM 772 CB LYS A 51 2.311 -10.211 7.309 1.00 0.00 C ATOM 773 CG LYS A 51 3.212 -10.075 8.526 1.00 0.00 C ATOM 774 CD LYS A 51 3.185 -8.661 9.085 1.00 0.00 C ATOM 775 CE LYS A 51 1.927 -8.404 9.901 1.00 0.00 C ATOM 776 NZ LYS A 51 0.830 -7.838 9.068 1.00 0.00 N ATOM 0 H LYS A 51 4.045 -9.070 5.898 1.00 0.00 H new ATOM 0 HA LYS A 51 3.386 -11.844 6.410 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.959 -9.222 7.016 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.431 -10.794 7.582 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.894 -10.778 9.296 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.234 -10.341 8.255 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.064 -8.500 9.710 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.240 -7.944 8.266 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.593 -9.336 10.356 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.157 -7.716 10.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.069 -7.490 9.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.199 -7.052 8.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.455 -8.577 8.440 1.00 0.00 H new ATOM 790 N PRO A 52 1.264 -12.229 5.000 1.00 0.00 N ATOM 791 CA PRO A 52 0.261 -12.545 3.975 1.00 0.00 C ATOM 792 C PRO A 52 -0.878 -11.530 3.940 1.00 0.00 C ATOM 793 O PRO A 52 -1.562 -11.389 2.928 1.00 0.00 O ATOM 794 CB PRO A 52 -0.265 -13.925 4.388 1.00 0.00 C ATOM 795 CG PRO A 52 0.102 -14.068 5.826 1.00 0.00 C ATOM 796 CD PRO A 52 1.381 -13.302 6.002 1.00 0.00 C ATOM 0 HA PRO A 52 0.692 -12.524 2.974 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.344 -13.993 4.248 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.185 -14.714 3.786 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.683 -13.672 6.471 1.00 0.00 H new ATOM 0 HG3 PRO A 52 0.235 -15.116 6.093 1.00 0.00 H new ATOM 0 HD2 PRO A 52 1.477 -12.903 7.012 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.255 -13.928 5.823 1.00 0.00 H new ATOM 804 N GLY A 53 -1.116 -10.871 5.069 1.00 0.00 N ATOM 805 CA GLY A 53 -2.174 -9.880 5.136 1.00 0.00 C ATOM 806 C GLY A 53 -1.654 -8.452 5.150 1.00 0.00 C ATOM 807 O GLY A 53 -2.175 -7.611 5.883 1.00 0.00 O ATOM 0 H GLY A 53 -0.597 -11.005 5.937 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.839 -10.010 4.282 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.769 -10.052 6.033 1.00 0.00 H new ATOM 811 N GLU A 54 -0.614 -8.175 4.365 1.00 0.00 N ATOM 812 CA GLU A 54 -0.036 -6.832 4.332 1.00 0.00 C ATOM 813 C GLU A 54 -0.683 -5.960 3.260 1.00 0.00 C ATOM 814 O GLU A 54 -0.686 -6.307 2.080 1.00 0.00 O ATOM 815 CB GLU A 54 1.476 -6.893 4.106 1.00 0.00 C ATOM 816 CG GLU A 54 2.258 -7.272 5.352 1.00 0.00 C ATOM 817 CD GLU A 54 3.718 -6.873 5.267 1.00 0.00 C ATOM 818 OE1 GLU A 54 4.339 -7.114 4.212 1.00 0.00 O ATOM 819 OE2 GLU A 54 4.239 -6.317 6.257 1.00 0.00 O ATOM 0 H GLU A 54 -0.160 -8.851 3.752 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.234 -6.378 5.303 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.689 -7.616 3.319 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.822 -5.923 3.750 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.804 -6.794 6.221 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.188 -8.349 5.507 1.00 0.00 H new ATOM 826 N ILE A 55 -1.215 -4.820 3.687 1.00 0.00 N ATOM 827 CA ILE A 55 -1.829 -3.852 2.780 1.00 0.00 C ATOM 828 C ILE A 55 -1.361 -2.445 3.139 1.00 0.00 C ATOM 829 O ILE A 55 -2.031 -1.740 3.890 1.00 0.00 O ATOM 830 CB ILE A 55 -3.372 -3.889 2.851 1.00 0.00 C ATOM 831 CG1 ILE A 55 -3.868 -5.264 3.318 1.00 0.00 C ATOM 832 CG2 ILE A 55 -3.974 -3.523 1.500 1.00 0.00 C ATOM 833 CD1 ILE A 55 -3.769 -6.350 2.264 1.00 0.00 C ATOM 0 H ILE A 55 -1.234 -4.540 4.668 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.524 -4.117 1.768 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.699 -3.152 3.584 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.292 -5.568 4.192 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.907 -5.175 3.636 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.062 -3.554 1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.655 -2.519 1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.636 -4.234 0.746 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.139 -7.290 2.674 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.368 -6.071 1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.728 -6.471 1.963 1.00 0.00 H new ATOM 845 N LEU A 56 -0.202 -2.044 2.627 1.00 0.00 N ATOM 846 CA LEU A 56 0.357 -0.741 2.970 1.00 0.00 C ATOM 847 C LEU A 56 0.526 0.153 1.752 1.00 0.00 C ATOM 848 O LEU A 56 0.209 -0.233 0.627 1.00 0.00 O ATOM 849 CB LEU A 56 1.711 -0.912 3.660 1.00 0.00 C ATOM 850 CG LEU A 56 2.470 -2.176 3.277 1.00 0.00 C ATOM 851 CD1 LEU A 56 3.783 -1.827 2.589 1.00 0.00 C ATOM 852 CD2 LEU A 56 2.717 -3.034 4.506 1.00 0.00 C ATOM 0 H LEU A 56 0.363 -2.595 1.981 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.351 -0.260 3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.333 -0.048 3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.555 -0.912 4.739 1.00 0.00 H new ATOM 0 HG LEU A 56 1.862 -2.746 2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.310 -2.744 2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.579 -1.251 1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.402 -1.236 3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.260 -3.934 4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.306 -2.471 5.230 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.763 -3.313 4.952 1.00 0.00 H new ATOM 864 N GLU A 57 1.036 1.355 1.997 1.00 0.00 N ATOM 865 CA GLU A 57 1.280 2.329 0.941 1.00 0.00 C ATOM 866 C GLU A 57 2.636 2.999 1.142 1.00 0.00 C ATOM 867 O GLU A 57 3.071 3.206 2.275 1.00 0.00 O ATOM 868 CB GLU A 57 0.171 3.383 0.921 1.00 0.00 C ATOM 869 CG GLU A 57 0.084 4.199 2.202 1.00 0.00 C ATOM 870 CD GLU A 57 -1.185 5.026 2.281 1.00 0.00 C ATOM 871 OE1 GLU A 57 -1.327 5.974 1.483 1.00 0.00 O ATOM 872 OE2 GLU A 57 -2.037 4.723 3.143 1.00 0.00 O ATOM 0 H GLU A 57 1.291 1.680 2.930 1.00 0.00 H new ATOM 0 HA GLU A 57 1.284 1.807 -0.016 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.337 4.057 0.081 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.785 2.889 0.749 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.130 3.528 3.060 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.949 4.860 2.267 1.00 0.00 H new ATOM 879 N VAL A 58 3.306 3.327 0.042 1.00 0.00 N ATOM 880 CA VAL A 58 4.622 3.953 0.111 1.00 0.00 C ATOM 881 C VAL A 58 4.622 5.325 -0.557 1.00 0.00 C ATOM 882 O VAL A 58 4.115 5.486 -1.665 1.00 0.00 O ATOM 883 CB VAL A 58 5.697 3.074 -0.550 1.00 0.00 C ATOM 884 CG1 VAL A 58 7.086 3.544 -0.155 1.00 0.00 C ATOM 885 CG2 VAL A 58 5.496 1.612 -0.180 1.00 0.00 C ATOM 0 H VAL A 58 2.961 3.170 -0.905 1.00 0.00 H new ATOM 0 HA VAL A 58 4.857 4.070 1.169 1.00 0.00 H new ATOM 0 HB VAL A 58 5.600 3.167 -1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.834 2.910 -0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.226 4.576 -0.477 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.196 3.483 0.928 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.266 1.007 -0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.563 1.498 0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.514 1.283 -0.519 1.00 0.00 H new ATOM 895 N TRP A 59 5.218 6.304 0.116 1.00 0.00 N ATOM 896 CA TRP A 59 5.287 7.663 -0.415 1.00 0.00 C ATOM 897 C TRP A 59 6.734 8.135 -0.529 1.00 0.00 C ATOM 898 O TRP A 59 7.330 8.591 0.449 1.00 0.00 O ATOM 899 CB TRP A 59 4.495 8.623 0.476 1.00 0.00 C ATOM 900 CG TRP A 59 4.256 9.962 -0.155 1.00 0.00 C ATOM 901 CD1 TRP A 59 3.861 10.204 -1.441 1.00 0.00 C ATOM 902 CD2 TRP A 59 4.389 11.243 0.471 1.00 0.00 C ATOM 903 NE1 TRP A 59 3.745 11.556 -1.652 1.00 0.00 N ATOM 904 CE2 TRP A 59 4.062 12.216 -0.493 1.00 0.00 C ATOM 905 CE3 TRP A 59 4.754 11.663 1.754 1.00 0.00 C ATOM 906 CZ2 TRP A 59 4.091 13.580 -0.214 1.00 0.00 C ATOM 907 CZ3 TRP A 59 4.781 13.017 2.029 1.00 0.00 C ATOM 908 CH2 TRP A 59 4.451 13.961 1.049 1.00 0.00 C ATOM 0 H TRP A 59 5.659 6.183 1.028 1.00 0.00 H new ATOM 0 HA TRP A 59 4.848 7.656 -1.413 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.535 8.169 0.723 1.00 0.00 H new ATOM 0 HB3 TRP A 59 5.032 8.763 1.414 1.00 0.00 H new ATOM 0 HD1 TRP A 59 3.668 9.443 -2.183 1.00 0.00 H new ATOM 0 HE1 TRP A 59 3.468 11.997 -2.529 1.00 0.00 H new ATOM 0 HE3 TRP A 59 5.010 10.942 2.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 3.838 14.311 -0.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 5.061 13.353 3.016 1.00 0.00 H new ATOM 0 HH2 TRP A 59 4.481 15.012 1.296 1.00 0.00 H new ATOM 919 N ILE A 60 7.301 7.993 -1.726 1.00 0.00 N ATOM 920 CA ILE A 60 8.676 8.421 -1.986 1.00 0.00 C ATOM 921 C ILE A 60 8.835 8.868 -3.435 1.00 0.00 C ATOM 922 O ILE A 60 7.852 9.180 -4.108 1.00 0.00 O ATOM 923 CB ILE A 60 9.711 7.312 -1.688 1.00 0.00 C ATOM 924 CG1 ILE A 60 9.124 6.238 -0.766 1.00 0.00 C ATOM 925 CG2 ILE A 60 10.963 7.919 -1.069 1.00 0.00 C ATOM 926 CD1 ILE A 60 10.115 5.161 -0.377 1.00 0.00 C ATOM 0 H ILE A 60 6.829 7.584 -2.533 1.00 0.00 H new ATOM 0 HA ILE A 60 8.869 9.255 -1.311 1.00 0.00 H new ATOM 0 HB ILE A 60 9.977 6.832 -2.630 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.746 6.715 0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.272 5.773 -1.261 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.686 7.130 -0.863 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.399 8.639 -1.762 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.701 8.423 -0.139 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.628 4.437 0.276 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.475 4.657 -1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 60 10.957 5.613 0.147 1.00 0.00 H new ATOM 938 N ASP A 61 10.075 8.888 -3.915 1.00 0.00 N ATOM 939 CA ASP A 61 10.357 9.308 -5.282 1.00 0.00 C ATOM 940 C ASP A 61 11.262 8.307 -5.999 1.00 0.00 C ATOM 941 O ASP A 61 12.126 8.696 -6.786 1.00 0.00 O ATOM 942 CB ASP A 61 11.012 10.691 -5.284 1.00 0.00 C ATOM 943 CG ASP A 61 10.803 11.435 -3.980 1.00 0.00 C ATOM 944 OD1 ASP A 61 9.686 11.950 -3.763 1.00 0.00 O ATOM 945 OD2 ASP A 61 11.756 11.502 -3.175 1.00 0.00 O ATOM 0 H ASP A 61 10.899 8.618 -3.378 1.00 0.00 H new ATOM 0 HA ASP A 61 9.409 9.353 -5.818 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.081 10.583 -5.469 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.604 11.281 -6.105 1.00 0.00 H new ATOM 950 N TYR A 62 11.059 7.017 -5.737 1.00 0.00 N ATOM 951 CA TYR A 62 11.857 5.981 -6.387 1.00 0.00 C ATOM 952 C TYR A 62 10.982 5.087 -7.281 1.00 0.00 C ATOM 953 O TYR A 62 11.187 5.051 -8.495 1.00 0.00 O ATOM 954 CB TYR A 62 12.628 5.149 -5.356 1.00 0.00 C ATOM 955 CG TYR A 62 13.622 5.954 -4.549 1.00 0.00 C ATOM 956 CD1 TYR A 62 14.814 6.391 -5.112 1.00 0.00 C ATOM 957 CD2 TYR A 62 13.367 6.277 -3.223 1.00 0.00 C ATOM 958 CE1 TYR A 62 15.723 7.126 -4.377 1.00 0.00 C ATOM 959 CE2 TYR A 62 14.271 7.011 -2.481 1.00 0.00 C ATOM 960 CZ TYR A 62 15.448 7.433 -3.062 1.00 0.00 C ATOM 961 OH TYR A 62 16.352 8.165 -2.326 1.00 0.00 O ATOM 0 H TYR A 62 10.356 6.667 -5.086 1.00 0.00 H new ATOM 0 HA TYR A 62 12.588 6.476 -7.027 1.00 0.00 H new ATOM 0 HB2 TYR A 62 11.917 4.679 -4.677 1.00 0.00 H new ATOM 0 HB3 TYR A 62 13.156 4.346 -5.871 1.00 0.00 H new ATOM 0 HD1 TYR A 62 15.034 6.152 -6.142 1.00 0.00 H new ATOM 0 HD2 TYR A 62 12.446 5.949 -2.764 1.00 0.00 H new ATOM 0 HE1 TYR A 62 16.645 7.459 -4.830 1.00 0.00 H new ATOM 0 HE2 TYR A 62 14.057 7.253 -1.451 1.00 0.00 H new ATOM 0 HH TYR A 62 16.006 8.295 -1.418 1.00 0.00 H new ATOM 971 N PRO A 63 9.969 4.377 -6.726 1.00 0.00 N ATOM 972 CA PRO A 63 9.634 4.354 -5.305 1.00 0.00 C ATOM 973 C PRO A 63 10.236 3.142 -4.598 1.00 0.00 C ATOM 974 O PRO A 63 11.070 2.438 -5.165 1.00 0.00 O ATOM 975 CB PRO A 63 8.116 4.242 -5.353 1.00 0.00 C ATOM 976 CG PRO A 63 7.838 3.404 -6.564 1.00 0.00 C ATOM 977 CD PRO A 63 9.046 3.510 -7.473 1.00 0.00 C ATOM 0 HA PRO A 63 10.012 5.217 -4.756 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.724 3.775 -4.449 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.648 5.223 -5.434 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.660 2.367 -6.281 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.941 3.753 -7.075 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.486 2.532 -7.670 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.784 3.942 -8.439 1.00 0.00 H new ATOM 985 N MET A 64 9.801 2.893 -3.366 1.00 0.00 N ATOM 986 CA MET A 64 10.293 1.750 -2.600 1.00 0.00 C ATOM 987 C MET A 64 9.808 0.436 -3.205 1.00 0.00 C ATOM 988 O MET A 64 10.452 -0.603 -3.056 1.00 0.00 O ATOM 989 CB MET A 64 9.836 1.845 -1.144 1.00 0.00 C ATOM 990 CG MET A 64 10.941 1.570 -0.138 1.00 0.00 C ATOM 991 SD MET A 64 11.620 -0.094 -0.286 1.00 0.00 S ATOM 992 CE MET A 64 13.177 0.246 -1.102 1.00 0.00 C ATOM 0 H MET A 64 9.112 3.464 -2.878 1.00 0.00 H new ATOM 0 HA MET A 64 11.382 1.769 -2.636 1.00 0.00 H new ATOM 0 HB2 MET A 64 9.432 2.841 -0.963 1.00 0.00 H new ATOM 0 HB3 MET A 64 9.023 1.137 -0.981 1.00 0.00 H new ATOM 0 HG2 MET A 64 11.741 2.298 -0.275 1.00 0.00 H new ATOM 0 HG3 MET A 64 10.552 1.711 0.870 1.00 0.00 H new ATOM 0 HE1 MET A 64 13.903 -0.522 -0.834 1.00 0.00 H new ATOM 0 HE2 MET A 64 13.030 0.245 -2.182 1.00 0.00 H new ATOM 0 HE3 MET A 64 13.547 1.222 -0.787 1.00 0.00 H new ATOM 1002 N SER A 65 8.659 0.486 -3.873 1.00 0.00 N ATOM 1003 CA SER A 65 8.075 -0.704 -4.480 1.00 0.00 C ATOM 1004 C SER A 65 9.027 -1.333 -5.492 1.00 0.00 C ATOM 1005 O SER A 65 8.851 -2.486 -5.886 1.00 0.00 O ATOM 1006 CB SER A 65 6.751 -0.355 -5.160 1.00 0.00 C ATOM 1007 OG SER A 65 6.114 0.731 -4.512 1.00 0.00 O ATOM 0 H SER A 65 8.115 1.338 -4.007 1.00 0.00 H new ATOM 0 HA SER A 65 7.893 -1.429 -3.686 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.931 -0.104 -6.205 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.094 -1.224 -5.150 1.00 0.00 H new ATOM 0 HG SER A 65 5.235 0.447 -4.184 1.00 0.00 H new ATOM 1013 N LYS A 66 10.036 -0.574 -5.907 1.00 0.00 N ATOM 1014 CA LYS A 66 11.009 -1.062 -6.879 1.00 0.00 C ATOM 1015 C LYS A 66 11.725 -2.303 -6.360 1.00 0.00 C ATOM 1016 O LYS A 66 12.068 -3.199 -7.132 1.00 0.00 O ATOM 1017 CB LYS A 66 12.027 0.035 -7.210 1.00 0.00 C ATOM 1018 CG LYS A 66 13.026 0.305 -6.094 1.00 0.00 C ATOM 1019 CD LYS A 66 14.338 0.847 -6.639 1.00 0.00 C ATOM 1020 CE LYS A 66 15.534 0.176 -5.982 1.00 0.00 C ATOM 1021 NZ LYS A 66 16.813 0.849 -6.340 1.00 0.00 N ATOM 0 H LYS A 66 10.202 0.380 -5.586 1.00 0.00 H new ATOM 0 HA LYS A 66 10.472 -1.333 -7.788 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.571 -0.248 -8.111 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.492 0.957 -7.437 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.601 1.019 -5.389 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.213 -0.616 -5.541 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.378 0.690 -7.717 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.386 1.923 -6.472 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.408 0.188 -4.899 1.00 0.00 H new ATOM 0 HE3 LYS A 66 15.576 -0.870 -6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 17.604 0.362 -5.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 16.946 0.815 -7.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.783 1.840 -6.027 1.00 0.00 H new ATOM 1035 N GLU A 67 11.949 -2.350 -5.052 1.00 0.00 N ATOM 1036 CA GLU A 67 12.608 -3.491 -4.429 1.00 0.00 C ATOM 1037 C GLU A 67 11.574 -4.487 -3.920 1.00 0.00 C ATOM 1038 O GLU A 67 11.845 -5.686 -3.809 1.00 0.00 O ATOM 1039 CB GLU A 67 13.501 -3.027 -3.277 1.00 0.00 C ATOM 1040 CG GLU A 67 14.986 -3.109 -3.592 1.00 0.00 C ATOM 1041 CD GLU A 67 15.595 -4.437 -3.188 1.00 0.00 C ATOM 1042 OE1 GLU A 67 15.603 -4.742 -1.976 1.00 0.00 O ATOM 1043 OE2 GLU A 67 16.065 -5.172 -4.081 1.00 0.00 O ATOM 0 H GLU A 67 11.684 -1.610 -4.402 1.00 0.00 H new ATOM 0 HA GLU A 67 13.229 -3.982 -5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.248 -1.998 -3.023 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.290 -3.634 -2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.136 -2.955 -4.661 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.508 -2.302 -3.077 1.00 0.00 H new ATOM 1050 N ARG A 68 10.378 -3.982 -3.635 1.00 0.00 N ATOM 1051 CA ARG A 68 9.292 -4.821 -3.147 1.00 0.00 C ATOM 1052 C ARG A 68 8.899 -5.864 -4.188 1.00 0.00 C ATOM 1053 O ARG A 68 8.605 -7.008 -3.845 1.00 0.00 O ATOM 1054 CB ARG A 68 8.080 -3.961 -2.785 1.00 0.00 C ATOM 1055 CG ARG A 68 8.202 -3.275 -1.435 1.00 0.00 C ATOM 1056 CD ARG A 68 6.868 -3.232 -0.708 1.00 0.00 C ATOM 1057 NE ARG A 68 7.032 -3.281 0.743 1.00 0.00 N ATOM 1058 CZ ARG A 68 7.344 -2.223 1.487 1.00 0.00 C ATOM 1059 NH1 ARG A 68 7.524 -1.038 0.919 1.00 0.00 N ATOM 1060 NH2 ARG A 68 7.474 -2.350 2.800 1.00 0.00 N ATOM 0 H ARG A 68 10.137 -2.996 -3.734 1.00 0.00 H new ATOM 0 HA ARG A 68 9.640 -5.340 -2.254 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.939 -3.204 -3.556 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.188 -4.587 -2.786 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.934 -3.802 -0.823 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.574 -2.260 -1.574 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.335 -2.321 -0.982 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.252 -4.071 -1.031 1.00 0.00 H new ATOM 0 HE ARG A 68 6.900 -4.177 1.212 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.423 -0.936 -0.091 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.763 -0.229 1.492 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.335 -3.259 3.241 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.713 -1.538 3.370 1.00 0.00 H new ATOM 1074 N ILE A 69 8.901 -5.468 -5.461 1.00 0.00 N ATOM 1075 CA ILE A 69 8.534 -6.380 -6.540 1.00 0.00 C ATOM 1076 C ILE A 69 9.464 -7.599 -6.586 1.00 0.00 C ATOM 1077 O ILE A 69 8.994 -8.732 -6.503 1.00 0.00 O ATOM 1078 CB ILE A 69 8.534 -5.680 -7.915 1.00 0.00 C ATOM 1079 CG1 ILE A 69 7.661 -4.424 -7.875 1.00 0.00 C ATOM 1080 CG2 ILE A 69 8.047 -6.632 -8.998 1.00 0.00 C ATOM 1081 CD1 ILE A 69 8.160 -3.315 -8.775 1.00 0.00 C ATOM 0 H ILE A 69 9.151 -4.528 -5.767 1.00 0.00 H new ATOM 0 HA ILE A 69 7.520 -6.716 -6.325 1.00 0.00 H new ATOM 0 HB ILE A 69 9.556 -5.384 -8.151 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.644 -4.688 -8.166 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.614 -4.056 -6.850 1.00 0.00 H new ATOM 0 HG21 ILE A 69 8.054 -6.121 -9.961 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.705 -7.500 -9.043 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.033 -6.958 -8.767 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.494 -2.456 -8.697 1.00 0.00 H new ATOM 0 HD12 ILE A 69 9.165 -3.024 -8.470 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.181 -3.665 -9.807 1.00 0.00 H new ATOM 1093 N PRO A 70 10.796 -7.393 -6.710 1.00 0.00 N ATOM 1094 CA PRO A 70 11.763 -8.497 -6.774 1.00 0.00 C ATOM 1095 C PRO A 70 11.520 -9.559 -5.705 1.00 0.00 C ATOM 1096 O PRO A 70 11.512 -10.754 -6.000 1.00 0.00 O ATOM 1097 CB PRO A 70 13.104 -7.803 -6.543 1.00 0.00 C ATOM 1098 CG PRO A 70 12.908 -6.429 -7.078 1.00 0.00 C ATOM 1099 CD PRO A 70 11.466 -6.079 -6.815 1.00 0.00 C ATOM 0 HA PRO A 70 11.699 -9.036 -7.719 1.00 0.00 H new ATOM 0 HB2 PRO A 70 13.364 -7.784 -5.485 1.00 0.00 H new ATOM 0 HB3 PRO A 70 13.913 -8.319 -7.061 1.00 0.00 H new ATOM 0 HG2 PRO A 70 13.576 -5.721 -6.588 1.00 0.00 H new ATOM 0 HG3 PRO A 70 13.130 -6.391 -8.144 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.356 -5.500 -5.898 1.00 0.00 H new ATOM 0 HD3 PRO A 70 11.046 -5.480 -7.623 1.00 0.00 H new ATOM 1107 N GLU A 71 11.322 -9.120 -4.466 1.00 0.00 N ATOM 1108 CA GLU A 71 11.079 -10.045 -3.364 1.00 0.00 C ATOM 1109 C GLU A 71 9.812 -10.863 -3.607 1.00 0.00 C ATOM 1110 O GLU A 71 9.805 -12.088 -3.451 1.00 0.00 O ATOM 1111 CB GLU A 71 10.958 -9.279 -2.045 1.00 0.00 C ATOM 1112 CG GLU A 71 12.286 -8.761 -1.518 1.00 0.00 C ATOM 1113 CD GLU A 71 13.191 -9.871 -1.023 1.00 0.00 C ATOM 1114 OE1 GLU A 71 12.719 -10.718 -0.235 1.00 0.00 O ATOM 1115 OE2 GLU A 71 14.375 -9.895 -1.423 1.00 0.00 O ATOM 0 H GLU A 71 11.325 -8.135 -4.200 1.00 0.00 H new ATOM 0 HA GLU A 71 11.926 -10.729 -3.304 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.279 -8.438 -2.184 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.509 -9.931 -1.296 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.795 -8.208 -2.307 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.101 -8.059 -0.705 1.00 0.00 H new ATOM 1122 N THR A 72 8.742 -10.180 -3.995 1.00 0.00 N ATOM 1123 CA THR A 72 7.467 -10.838 -4.240 1.00 0.00 C ATOM 1124 C THR A 72 7.585 -11.898 -5.332 1.00 0.00 C ATOM 1125 O THR A 72 7.097 -13.013 -5.168 1.00 0.00 O ATOM 1126 CB THR A 72 6.398 -9.814 -4.616 1.00 0.00 C ATOM 1127 OG1 THR A 72 6.569 -8.617 -3.878 1.00 0.00 O ATOM 1128 CG2 THR A 72 4.989 -10.307 -4.369 1.00 0.00 C ATOM 0 H THR A 72 8.733 -9.171 -4.146 1.00 0.00 H new ATOM 0 HA THR A 72 7.172 -11.336 -3.317 1.00 0.00 H new ATOM 0 HB THR A 72 6.525 -9.640 -5.685 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.238 -8.053 -4.320 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.277 -9.533 -4.656 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.808 -11.204 -4.961 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.865 -10.539 -3.311 1.00 0.00 H new ATOM 1136 N VAL A 73 8.238 -11.556 -6.444 1.00 0.00 N ATOM 1137 CA VAL A 73 8.389 -12.491 -7.542 1.00 0.00 C ATOM 1138 C VAL A 73 9.112 -13.753 -7.089 1.00 0.00 C ATOM 1139 O VAL A 73 8.868 -14.839 -7.618 1.00 0.00 O ATOM 1140 CB VAL A 73 9.135 -11.854 -8.735 1.00 0.00 C ATOM 1141 CG1 VAL A 73 8.760 -10.388 -8.892 1.00 0.00 C ATOM 1142 CG2 VAL A 73 10.643 -12.011 -8.597 1.00 0.00 C ATOM 0 H VAL A 73 8.665 -10.643 -6.600 1.00 0.00 H new ATOM 0 HA VAL A 73 7.386 -12.760 -7.874 1.00 0.00 H new ATOM 0 HB VAL A 73 8.826 -12.385 -9.635 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.299 -9.963 -9.739 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.687 -10.303 -9.065 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.025 -9.845 -7.984 1.00 0.00 H new ATOM 0 HG21 VAL A 73 11.137 -11.552 -9.453 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.977 -11.524 -7.681 1.00 0.00 H new ATOM 0 HG23 VAL A 73 10.896 -13.070 -8.558 1.00 0.00 H new ATOM 1152 N LYS A 74 9.980 -13.613 -6.090 1.00 0.00 N ATOM 1153 CA LYS A 74 10.675 -14.764 -5.534 1.00 0.00 C ATOM 1154 C LYS A 74 9.645 -15.757 -5.022 1.00 0.00 C ATOM 1155 O LYS A 74 9.750 -16.962 -5.250 1.00 0.00 O ATOM 1156 CB LYS A 74 11.610 -14.339 -4.401 1.00 0.00 C ATOM 1157 CG LYS A 74 12.733 -15.328 -4.133 1.00 0.00 C ATOM 1158 CD LYS A 74 14.097 -14.678 -4.293 1.00 0.00 C ATOM 1159 CE LYS A 74 15.206 -15.569 -3.757 1.00 0.00 C ATOM 1160 NZ LYS A 74 15.807 -16.413 -4.827 1.00 0.00 N ATOM 0 H LYS A 74 10.215 -12.721 -5.654 1.00 0.00 H new ATOM 0 HA LYS A 74 11.283 -15.228 -6.311 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.043 -13.368 -4.643 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.027 -14.209 -3.489 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.635 -15.727 -3.123 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.648 -16.171 -4.818 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.278 -14.464 -5.346 1.00 0.00 H new ATOM 0 HD3 LYS A 74 14.110 -13.723 -3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.981 -14.951 -3.304 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.808 -16.210 -2.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.559 -17.006 -4.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.073 -17.022 -5.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 16.209 -15.802 -5.566 1.00 0.00 H new ATOM 1174 N LYS A 75 8.613 -15.220 -4.377 1.00 0.00 N ATOM 1175 CA LYS A 75 7.514 -16.033 -3.877 1.00 0.00 C ATOM 1176 C LYS A 75 6.412 -16.151 -4.932 1.00 0.00 C ATOM 1177 O LYS A 75 6.306 -17.166 -5.621 1.00 0.00 O ATOM 1178 CB LYS A 75 6.946 -15.433 -2.590 1.00 0.00 C ATOM 1179 CG LYS A 75 8.013 -14.990 -1.601 1.00 0.00 C ATOM 1180 CD LYS A 75 7.909 -13.505 -1.298 1.00 0.00 C ATOM 1181 CE LYS A 75 6.736 -13.203 -0.381 1.00 0.00 C ATOM 1182 NZ LYS A 75 7.008 -13.611 1.025 1.00 0.00 N ATOM 0 H LYS A 75 8.517 -14.222 -4.189 1.00 0.00 H new ATOM 0 HA LYS A 75 7.898 -17.030 -3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.320 -14.577 -2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.301 -16.169 -2.110 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.913 -15.559 -0.677 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.000 -15.212 -2.006 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.833 -13.162 -0.833 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.796 -12.950 -2.229 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.516 -12.136 -0.413 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.849 -13.722 -0.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.243 -13.267 1.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.058 -14.648 1.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.913 -13.203 1.336 1.00 0.00 H new ATOM 1196 N LEU A 76 5.563 -15.126 -5.015 1.00 0.00 N ATOM 1197 CA LEU A 76 4.478 -15.098 -5.993 1.00 0.00 C ATOM 1198 C LEU A 76 4.860 -14.248 -7.203 1.00 0.00 C ATOM 1199 O LEU A 76 5.519 -14.723 -8.127 1.00 0.00 O ATOM 1200 CB LEU A 76 3.192 -14.554 -5.360 1.00 0.00 C ATOM 1201 CG LEU A 76 3.392 -13.691 -4.112 1.00 0.00 C ATOM 1202 CD1 LEU A 76 2.316 -12.620 -4.029 1.00 0.00 C ATOM 1203 CD2 LEU A 76 3.387 -14.555 -2.861 1.00 0.00 C ATOM 0 H LEU A 76 5.607 -14.303 -4.414 1.00 0.00 H new ATOM 0 HA LEU A 76 4.301 -16.121 -6.326 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.660 -13.965 -6.107 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.550 -15.396 -5.101 1.00 0.00 H new ATOM 0 HG LEU A 76 4.362 -13.198 -4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.473 -12.015 -3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.368 -11.983 -4.912 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.335 -13.093 -3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.530 -13.925 -1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.433 -15.075 -2.782 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.194 -15.285 -2.920 1.00 0.00 H new ATOM 1215 N GLY A 77 4.433 -12.987 -7.181 1.00 0.00 N ATOM 1216 CA GLY A 77 4.734 -12.072 -8.265 1.00 0.00 C ATOM 1217 C GLY A 77 4.974 -10.662 -7.763 1.00 0.00 C ATOM 1218 O GLY A 77 6.115 -10.263 -7.544 1.00 0.00 O ATOM 0 H GLY A 77 3.880 -12.583 -6.425 1.00 0.00 H new ATOM 0 HA2 GLY A 77 5.616 -12.422 -8.801 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.909 -12.069 -8.977 1.00 0.00 H new ATOM 1222 N HIS A 78 3.897 -9.901 -7.588 1.00 0.00 N ATOM 1223 CA HIS A 78 4.004 -8.535 -7.085 1.00 0.00 C ATOM 1224 C HIS A 78 2.799 -8.177 -6.221 1.00 0.00 C ATOM 1225 O HIS A 78 1.690 -8.657 -6.457 1.00 0.00 O ATOM 1226 CB HIS A 78 4.134 -7.538 -8.240 1.00 0.00 C ATOM 1227 CG HIS A 78 3.605 -8.053 -9.543 1.00 0.00 C ATOM 1228 ND1 HIS A 78 2.277 -8.367 -9.705 1.00 0.00 N ATOM 1229 CD2 HIS A 78 4.260 -8.287 -10.708 1.00 0.00 C ATOM 1230 CE1 HIS A 78 2.152 -8.782 -10.952 1.00 0.00 C ATOM 1231 NE2 HIS A 78 3.327 -8.750 -11.597 1.00 0.00 N ATOM 0 H HIS A 78 2.944 -10.206 -7.786 1.00 0.00 H new ATOM 0 HA HIS A 78 4.902 -8.477 -6.470 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.603 -6.622 -7.979 1.00 0.00 H new ATOM 0 HB3 HIS A 78 5.184 -7.274 -8.364 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.313 -8.137 -10.897 1.00 0.00 H new ATOM 0 HE1 HIS A 78 1.222 -9.106 -11.396 1.00 0.00 H new ATOM 0 HE2 HIS A 78 3.494 -9.020 -12.566 1.00 0.00 H new ATOM 1239 N GLU A 79 3.025 -7.335 -5.217 1.00 0.00 N ATOM 1240 CA GLU A 79 1.968 -6.886 -4.342 1.00 0.00 C ATOM 1241 C GLU A 79 1.440 -5.551 -4.842 1.00 0.00 C ATOM 1242 O GLU A 79 1.457 -4.552 -4.129 1.00 0.00 O ATOM 1243 CB GLU A 79 2.502 -6.753 -2.914 1.00 0.00 C ATOM 1244 CG GLU A 79 3.879 -7.366 -2.713 1.00 0.00 C ATOM 1245 CD GLU A 79 4.989 -6.334 -2.729 1.00 0.00 C ATOM 1246 OE1 GLU A 79 5.273 -5.783 -3.813 1.00 0.00 O ATOM 1247 OE2 GLU A 79 5.575 -6.076 -1.656 1.00 0.00 O ATOM 0 H GLU A 79 3.944 -6.951 -4.995 1.00 0.00 H new ATOM 0 HA GLU A 79 1.154 -7.611 -4.340 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.543 -5.697 -2.648 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.800 -7.227 -2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.899 -7.900 -1.763 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.062 -8.102 -3.496 1.00 0.00 H new ATOM 1254 N VAL A 80 1.018 -5.535 -6.098 1.00 0.00 N ATOM 1255 CA VAL A 80 0.542 -4.315 -6.730 1.00 0.00 C ATOM 1256 C VAL A 80 -0.980 -4.249 -6.729 1.00 0.00 C ATOM 1257 O VAL A 80 -1.655 -5.168 -7.194 1.00 0.00 O ATOM 1258 CB VAL A 80 1.061 -4.207 -8.180 1.00 0.00 C ATOM 1259 CG1 VAL A 80 0.918 -5.541 -8.900 1.00 0.00 C ATOM 1260 CG2 VAL A 80 0.337 -3.100 -8.936 1.00 0.00 C ATOM 0 H VAL A 80 0.996 -6.357 -6.701 1.00 0.00 H new ATOM 0 HA VAL A 80 0.929 -3.478 -6.149 1.00 0.00 H new ATOM 0 HB VAL A 80 2.120 -3.950 -8.145 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.289 -5.445 -9.920 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.495 -6.302 -8.374 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.132 -5.832 -8.922 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.721 -3.044 -9.955 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.731 -3.315 -8.962 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.503 -2.147 -8.433 1.00 0.00 H new ATOM 1270 N LEU A 81 -1.512 -3.141 -6.224 1.00 0.00 N ATOM 1271 CA LEU A 81 -2.952 -2.943 -6.168 1.00 0.00 C ATOM 1272 C LEU A 81 -3.332 -1.557 -6.672 1.00 0.00 C ATOM 1273 O LEU A 81 -4.370 -1.384 -7.310 1.00 0.00 O ATOM 1274 CB LEU A 81 -3.468 -3.148 -4.740 1.00 0.00 C ATOM 1275 CG LEU A 81 -3.224 -1.978 -3.784 1.00 0.00 C ATOM 1276 CD1 LEU A 81 -4.533 -1.272 -3.461 1.00 0.00 C ATOM 1277 CD2 LEU A 81 -2.548 -2.461 -2.510 1.00 0.00 C ATOM 0 H LEU A 81 -0.965 -2.367 -5.848 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.419 -3.683 -6.818 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.539 -3.344 -4.783 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.997 -4.039 -4.325 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.561 -1.265 -4.274 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.341 -0.443 -2.780 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.977 -0.891 -4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.220 -1.976 -2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.383 -1.615 -1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.185 -3.194 -2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.591 -2.920 -2.758 1.00 0.00 H new ATOM 1289 N GLU A 82 -2.489 -0.571 -6.385 1.00 0.00 N ATOM 1290 CA GLU A 82 -2.758 0.797 -6.823 1.00 0.00 C ATOM 1291 C GLU A 82 -1.475 1.609 -6.976 1.00 0.00 C ATOM 1292 O GLU A 82 -0.500 1.396 -6.258 1.00 0.00 O ATOM 1293 CB GLU A 82 -3.699 1.489 -5.838 1.00 0.00 C ATOM 1294 CG GLU A 82 -4.847 2.224 -6.506 1.00 0.00 C ATOM 1295 CD GLU A 82 -4.608 3.718 -6.601 1.00 0.00 C ATOM 1296 OE1 GLU A 82 -4.666 4.396 -5.554 1.00 0.00 O ATOM 1297 OE2 GLU A 82 -4.362 4.210 -7.723 1.00 0.00 O ATOM 0 H GLU A 82 -1.624 -0.689 -5.858 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.233 0.740 -7.803 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.105 0.745 -5.153 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.127 2.196 -5.238 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.998 1.820 -7.507 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.764 2.042 -5.946 1.00 0.00 H new ATOM 1304 N ILE A 83 -1.494 2.551 -7.919 1.00 0.00 N ATOM 1305 CA ILE A 83 -0.353 3.429 -8.165 1.00 0.00 C ATOM 1306 C ILE A 83 -0.828 4.843 -8.488 1.00 0.00 C ATOM 1307 O ILE A 83 -1.829 5.024 -9.183 1.00 0.00 O ATOM 1308 CB ILE A 83 0.524 2.919 -9.328 1.00 0.00 C ATOM 1309 CG1 ILE A 83 0.839 1.432 -9.153 1.00 0.00 C ATOM 1310 CG2 ILE A 83 1.808 3.728 -9.416 1.00 0.00 C ATOM 1311 CD1 ILE A 83 0.140 0.544 -10.160 1.00 0.00 C ATOM 0 H ILE A 83 -2.293 2.725 -8.528 1.00 0.00 H new ATOM 0 HA ILE A 83 0.246 3.435 -7.254 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.030 3.044 -10.258 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.916 1.285 -9.236 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.552 1.124 -8.148 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.416 3.357 -10.241 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.566 4.777 -9.587 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.364 3.631 -8.483 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.409 -0.496 -9.976 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.939 0.662 -10.062 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.446 0.826 -11.168 1.00 0.00 H new ATOM 1323 N GLU A 84 -0.116 5.845 -7.977 1.00 0.00 N ATOM 1324 CA GLU A 84 -0.487 7.238 -8.211 1.00 0.00 C ATOM 1325 C GLU A 84 0.702 8.172 -8.016 1.00 0.00 C ATOM 1326 O GLU A 84 1.803 7.736 -7.682 1.00 0.00 O ATOM 1327 CB GLU A 84 -1.627 7.643 -7.273 1.00 0.00 C ATOM 1328 CG GLU A 84 -1.327 7.394 -5.803 1.00 0.00 C ATOM 1329 CD GLU A 84 -2.245 8.172 -4.881 1.00 0.00 C ATOM 1330 OE1 GLU A 84 -3.389 8.466 -5.289 1.00 0.00 O ATOM 1331 OE2 GLU A 84 -1.822 8.487 -3.748 1.00 0.00 O ATOM 0 H GLU A 84 0.717 5.719 -7.401 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.819 7.326 -9.245 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.845 8.701 -7.416 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.526 7.092 -7.550 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.423 6.329 -5.592 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.293 7.668 -5.596 1.00 0.00 H new ATOM 1338 N GLU A 85 0.464 9.461 -8.230 1.00 0.00 N ATOM 1339 CA GLU A 85 1.506 10.470 -8.081 1.00 0.00 C ATOM 1340 C GLU A 85 0.991 11.664 -7.282 1.00 0.00 C ATOM 1341 O GLU A 85 -0.204 11.770 -7.008 1.00 0.00 O ATOM 1342 CB GLU A 85 1.997 10.935 -9.454 1.00 0.00 C ATOM 1343 CG GLU A 85 0.919 11.602 -10.293 1.00 0.00 C ATOM 1344 CD GLU A 85 1.451 12.135 -11.609 1.00 0.00 C ATOM 1345 OE1 GLU A 85 2.340 13.013 -11.578 1.00 0.00 O ATOM 1346 OE2 GLU A 85 0.981 11.673 -12.669 1.00 0.00 O ATOM 0 H GLU A 85 -0.444 9.833 -8.508 1.00 0.00 H new ATOM 0 HA GLU A 85 2.339 10.021 -7.539 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.823 11.633 -9.318 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.391 10.077 -9.999 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.122 10.885 -10.491 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.477 12.421 -9.726 1.00 0.00 H new ATOM 1353 N VAL A 86 1.902 12.557 -6.904 1.00 0.00 N ATOM 1354 CA VAL A 86 1.537 13.738 -6.128 1.00 0.00 C ATOM 1355 C VAL A 86 2.115 15.007 -6.746 1.00 0.00 C ATOM 1356 O VAL A 86 1.383 15.945 -7.056 1.00 0.00 O ATOM 1357 CB VAL A 86 2.019 13.624 -4.669 1.00 0.00 C ATOM 1358 CG1 VAL A 86 1.486 14.783 -3.839 1.00 0.00 C ATOM 1359 CG2 VAL A 86 1.598 12.292 -4.069 1.00 0.00 C ATOM 0 H VAL A 86 2.896 12.485 -7.122 1.00 0.00 H new ATOM 0 HA VAL A 86 0.449 13.797 -6.140 1.00 0.00 H new ATOM 0 HB VAL A 86 3.108 13.671 -4.661 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.836 14.686 -2.811 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.843 15.724 -4.257 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.396 14.770 -3.853 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.948 12.230 -3.038 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.511 12.211 -4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.033 11.478 -4.649 1.00 0.00 H new ATOM 1369 N GLY A 87 3.434 15.032 -6.914 1.00 0.00 N ATOM 1370 CA GLY A 87 4.086 16.197 -7.485 1.00 0.00 C ATOM 1371 C GLY A 87 5.003 15.847 -8.643 1.00 0.00 C ATOM 1372 O GLY A 87 4.718 14.921 -9.403 1.00 0.00 O ATOM 0 H GLY A 87 4.062 14.268 -6.665 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.328 16.901 -7.828 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.663 16.702 -6.710 1.00 0.00 H new ATOM 1376 N PRO A 88 6.122 16.578 -8.806 1.00 0.00 N ATOM 1377 CA PRO A 88 7.074 16.337 -9.897 1.00 0.00 C ATOM 1378 C PRO A 88 7.635 14.919 -9.881 1.00 0.00 C ATOM 1379 O PRO A 88 7.184 14.056 -10.635 1.00 0.00 O ATOM 1380 CB PRO A 88 8.189 17.358 -9.641 1.00 0.00 C ATOM 1381 CG PRO A 88 7.560 18.412 -8.797 1.00 0.00 C ATOM 1382 CD PRO A 88 6.538 17.707 -7.953 1.00 0.00 C ATOM 0 HA PRO A 88 6.601 16.443 -10.873 1.00 0.00 H new ATOM 0 HB2 PRO A 88 9.036 16.898 -9.132 1.00 0.00 H new ATOM 0 HB3 PRO A 88 8.566 17.773 -10.576 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.304 18.910 -8.175 1.00 0.00 H new ATOM 0 HG3 PRO A 88 7.094 19.180 -9.414 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.962 17.364 -7.009 1.00 0.00 H new ATOM 0 HD3 PRO A 88 5.699 18.358 -7.708 1.00 0.00 H new ATOM 1390 N SER A 89 8.626 14.682 -9.026 1.00 0.00 N ATOM 1391 CA SER A 89 9.253 13.368 -8.928 1.00 0.00 C ATOM 1392 C SER A 89 8.711 12.586 -7.737 1.00 0.00 C ATOM 1393 O SER A 89 9.082 11.433 -7.519 1.00 0.00 O ATOM 1394 CB SER A 89 10.771 13.510 -8.813 1.00 0.00 C ATOM 1395 OG SER A 89 11.133 14.816 -8.400 1.00 0.00 O ATOM 0 H SER A 89 9.012 15.382 -8.392 1.00 0.00 H new ATOM 0 HA SER A 89 9.014 12.815 -9.836 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.154 12.781 -8.099 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.234 13.288 -9.775 1.00 0.00 H new ATOM 0 HG SER A 89 12.109 14.879 -8.333 1.00 0.00 H new ATOM 1401 N GLU A 90 7.832 13.220 -6.974 1.00 0.00 N ATOM 1402 CA GLU A 90 7.232 12.583 -5.806 1.00 0.00 C ATOM 1403 C GLU A 90 5.924 11.893 -6.178 1.00 0.00 C ATOM 1404 O GLU A 90 5.085 12.467 -6.873 1.00 0.00 O ATOM 1405 CB GLU A 90 6.983 13.616 -4.704 1.00 0.00 C ATOM 1406 CG GLU A 90 6.375 14.915 -5.209 1.00 0.00 C ATOM 1407 CD GLU A 90 6.001 15.859 -4.083 1.00 0.00 C ATOM 1408 OE1 GLU A 90 4.936 15.653 -3.465 1.00 0.00 O ATOM 1409 OE2 GLU A 90 6.772 16.806 -3.822 1.00 0.00 O ATOM 0 H GLU A 90 7.517 14.176 -7.141 1.00 0.00 H new ATOM 0 HA GLU A 90 7.928 11.830 -5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.321 13.182 -3.955 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.927 13.837 -4.205 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.084 15.410 -5.873 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.487 14.691 -5.800 1.00 0.00 H new ATOM 1416 N TRP A 91 5.757 10.655 -5.720 1.00 0.00 N ATOM 1417 CA TRP A 91 4.553 9.890 -6.020 1.00 0.00 C ATOM 1418 C TRP A 91 4.204 8.934 -4.884 1.00 0.00 C ATOM 1419 O TRP A 91 5.007 8.706 -3.975 1.00 0.00 O ATOM 1420 CB TRP A 91 4.737 9.104 -7.321 1.00 0.00 C ATOM 1421 CG TRP A 91 6.097 8.492 -7.465 1.00 0.00 C ATOM 1422 CD1 TRP A 91 6.684 7.589 -6.623 1.00 0.00 C ATOM 1423 CD2 TRP A 91 7.040 8.733 -8.515 1.00 0.00 C ATOM 1424 NE1 TRP A 91 7.934 7.258 -7.085 1.00 0.00 N ATOM 1425 CE2 TRP A 91 8.176 7.946 -8.245 1.00 0.00 C ATOM 1426 CE3 TRP A 91 7.035 9.538 -9.657 1.00 0.00 C ATOM 1427 CZ2 TRP A 91 9.293 7.941 -9.076 1.00 0.00 C ATOM 1428 CZ3 TRP A 91 8.145 9.532 -10.481 1.00 0.00 C ATOM 1429 CH2 TRP A 91 9.260 8.739 -10.187 1.00 0.00 C ATOM 0 H TRP A 91 6.438 10.163 -5.142 1.00 0.00 H new ATOM 0 HA TRP A 91 3.730 10.596 -6.136 1.00 0.00 H new ATOM 0 HB2 TRP A 91 3.986 8.315 -7.369 1.00 0.00 H new ATOM 0 HB3 TRP A 91 4.555 9.768 -8.166 1.00 0.00 H new ATOM 0 HD1 TRP A 91 6.231 7.194 -5.726 1.00 0.00 H new ATOM 0 HE1 TRP A 91 8.578 6.606 -6.637 1.00 0.00 H new ATOM 0 HE3 TRP A 91 6.179 10.154 -9.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 10.154 7.329 -8.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 8.152 10.150 -11.367 1.00 0.00 H new ATOM 0 HH2 TRP A 91 10.112 8.757 -10.851 1.00 0.00 H new ATOM 1440 N LYS A 92 3.004 8.363 -4.955 1.00 0.00 N ATOM 1441 CA LYS A 92 2.538 7.423 -3.946 1.00 0.00 C ATOM 1442 C LYS A 92 2.220 6.074 -4.579 1.00 0.00 C ATOM 1443 O LYS A 92 1.794 6.002 -5.731 1.00 0.00 O ATOM 1444 CB LYS A 92 1.298 7.974 -3.240 1.00 0.00 C ATOM 1445 CG LYS A 92 1.305 7.746 -1.739 1.00 0.00 C ATOM 1446 CD LYS A 92 -0.058 8.025 -1.127 1.00 0.00 C ATOM 1447 CE LYS A 92 0.040 9.007 0.030 1.00 0.00 C ATOM 1448 NZ LYS A 92 -1.295 9.305 0.617 1.00 0.00 N ATOM 0 H LYS A 92 2.336 8.538 -5.706 1.00 0.00 H new ATOM 0 HA LYS A 92 3.332 7.286 -3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 92 1.223 9.043 -3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.410 7.508 -3.666 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.596 6.717 -1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 92 2.052 8.390 -1.275 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.725 8.426 -1.890 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.499 7.092 -0.777 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.692 8.597 0.801 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.499 9.933 -0.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.186 9.978 1.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.910 9.720 -0.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.723 8.426 0.971 1.00 0.00 H new ATOM 1462 N ILE A 93 2.449 5.005 -3.826 1.00 0.00 N ATOM 1463 CA ILE A 93 2.203 3.657 -4.318 1.00 0.00 C ATOM 1464 C ILE A 93 1.371 2.852 -3.329 1.00 0.00 C ATOM 1465 O ILE A 93 1.319 3.168 -2.140 1.00 0.00 O ATOM 1466 CB ILE A 93 3.520 2.897 -4.578 1.00 0.00 C ATOM 1467 CG1 ILE A 93 4.664 3.874 -4.877 1.00 0.00 C ATOM 1468 CG2 ILE A 93 3.344 1.901 -5.716 1.00 0.00 C ATOM 1469 CD1 ILE A 93 4.596 4.505 -6.253 1.00 0.00 C ATOM 0 H ILE A 93 2.805 5.047 -2.871 1.00 0.00 H new ATOM 0 HA ILE A 93 1.658 3.766 -5.255 1.00 0.00 H new ATOM 0 HB ILE A 93 3.780 2.343 -3.676 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.658 4.664 -4.126 1.00 0.00 H new ATOM 0 HG13 ILE A 93 5.613 3.347 -4.777 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.283 1.374 -5.886 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.567 1.183 -5.454 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.057 2.432 -6.623 1.00 0.00 H new ATOM 0 HD11 ILE A 93 5.440 5.182 -6.385 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.634 3.725 -7.013 1.00 0.00 H new ATOM 0 HD13 ILE A 93 3.665 5.063 -6.352 1.00 0.00 H new ATOM 1481 N TYR A 94 0.737 1.800 -3.830 1.00 0.00 N ATOM 1482 CA TYR A 94 -0.055 0.911 -2.993 1.00 0.00 C ATOM 1483 C TYR A 94 0.420 -0.524 -3.174 1.00 0.00 C ATOM 1484 O TYR A 94 0.424 -1.050 -4.291 1.00 0.00 O ATOM 1485 CB TYR A 94 -1.540 1.029 -3.333 1.00 0.00 C ATOM 1486 CG TYR A 94 -2.196 2.266 -2.761 1.00 0.00 C ATOM 1487 CD1 TYR A 94 -2.037 3.504 -3.371 1.00 0.00 C ATOM 1488 CD2 TYR A 94 -2.973 2.196 -1.612 1.00 0.00 C ATOM 1489 CE1 TYR A 94 -2.635 4.637 -2.853 1.00 0.00 C ATOM 1490 CE2 TYR A 94 -3.573 3.324 -1.087 1.00 0.00 C ATOM 1491 CZ TYR A 94 -3.401 4.541 -1.711 1.00 0.00 C ATOM 1492 OH TYR A 94 -3.998 5.668 -1.192 1.00 0.00 O ATOM 0 H TYR A 94 0.757 1.541 -4.816 1.00 0.00 H new ATOM 0 HA TYR A 94 0.077 1.201 -1.950 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.657 1.034 -4.417 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.061 0.147 -2.961 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.436 3.582 -4.265 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.110 1.244 -1.121 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.503 5.592 -3.340 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.174 3.253 -0.192 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.503 5.429 -0.387 1.00 0.00 H new ATOM 1502 N ILE A 95 0.787 -1.158 -2.064 1.00 0.00 N ATOM 1503 CA ILE A 95 1.330 -2.508 -2.086 1.00 0.00 C ATOM 1504 C ILE A 95 0.508 -3.427 -1.191 1.00 0.00 C ATOM 1505 O ILE A 95 -0.104 -2.971 -0.225 1.00 0.00 O ATOM 1506 CB ILE A 95 2.800 -2.502 -1.610 1.00 0.00 C ATOM 1507 CG1 ILE A 95 3.687 -1.777 -2.629 1.00 0.00 C ATOM 1508 CG2 ILE A 95 3.308 -3.913 -1.364 1.00 0.00 C ATOM 1509 CD1 ILE A 95 3.740 -2.449 -3.986 1.00 0.00 C ATOM 0 H ILE A 95 0.716 -0.752 -1.131 1.00 0.00 H new ATOM 0 HA ILE A 95 1.286 -2.877 -3.111 1.00 0.00 H new ATOM 0 HB ILE A 95 2.845 -1.965 -0.663 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.322 -0.758 -2.753 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.699 -1.706 -2.230 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.345 -3.873 -1.030 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.698 -4.391 -0.597 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.246 -4.488 -2.288 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.387 -1.876 -4.651 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.135 -3.459 -3.877 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.736 -2.496 -4.408 1.00 0.00 H new ATOM 1521 N LYS A 96 0.430 -4.709 -1.550 1.00 0.00 N ATOM 1522 CA LYS A 96 -0.373 -5.646 -0.772 1.00 0.00 C ATOM 1523 C LYS A 96 0.185 -7.064 -0.848 1.00 0.00 C ATOM 1524 O LYS A 96 -0.041 -7.786 -1.821 1.00 0.00 O ATOM 1525 CB LYS A 96 -1.832 -5.600 -1.248 1.00 0.00 C ATOM 1526 CG LYS A 96 -2.621 -6.877 -0.998 1.00 0.00 C ATOM 1527 CD LYS A 96 -3.001 -7.552 -2.305 1.00 0.00 C ATOM 1528 CE LYS A 96 -4.500 -7.776 -2.405 1.00 0.00 C ATOM 1529 NZ LYS A 96 -4.979 -7.711 -3.813 1.00 0.00 N ATOM 0 H LYS A 96 0.903 -5.114 -2.358 1.00 0.00 H new ATOM 0 HA LYS A 96 -0.333 -5.345 0.275 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.337 -4.773 -0.749 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.845 -5.384 -2.316 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.028 -7.561 -0.391 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.522 -6.646 -0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -2.668 -6.938 -3.142 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.484 -8.508 -2.385 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -4.751 -8.748 -1.981 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.020 -7.025 -1.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.007 -7.869 -3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -4.763 -6.774 -4.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -4.502 -8.444 -4.376 1.00 0.00 H new ATOM 1543 N VAL A 97 0.928 -7.448 0.183 1.00 0.00 N ATOM 1544 CA VAL A 97 1.513 -8.780 0.250 1.00 0.00 C ATOM 1545 C VAL A 97 0.432 -9.827 0.482 1.00 0.00 C ATOM 1546 O VAL A 97 0.107 -10.145 1.625 1.00 0.00 O ATOM 1547 CB VAL A 97 2.556 -8.882 1.378 1.00 0.00 C ATOM 1548 CG1 VAL A 97 3.201 -10.260 1.387 1.00 0.00 C ATOM 1549 CG2 VAL A 97 3.604 -7.790 1.240 1.00 0.00 C ATOM 0 H VAL A 97 1.139 -6.854 0.985 1.00 0.00 H new ATOM 0 HA VAL A 97 2.007 -8.963 -0.704 1.00 0.00 H new ATOM 0 HB VAL A 97 2.047 -8.741 2.332 1.00 0.00 H new ATOM 0 HG11 VAL A 97 3.935 -10.313 2.191 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.435 -11.019 1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.696 -10.436 0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.331 -7.880 2.047 1.00 0.00 H new ATOM 0 HG22 VAL A 97 4.111 -7.892 0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.122 -6.814 1.293 1.00 0.00 H new ATOM 1559 N LYS A 98 -0.130 -10.346 -0.604 1.00 0.00 N ATOM 1560 CA LYS A 98 -1.179 -11.355 -0.514 1.00 0.00 C ATOM 1561 C LYS A 98 -0.586 -12.760 -0.480 1.00 0.00 C ATOM 1562 O LYS A 98 -1.343 -13.727 -0.705 1.00 0.00 O ATOM 1563 CB LYS A 98 -2.146 -11.224 -1.693 1.00 0.00 C ATOM 1564 CG LYS A 98 -1.452 -11.104 -3.041 1.00 0.00 C ATOM 1565 CD LYS A 98 -2.449 -11.140 -4.188 1.00 0.00 C ATOM 1566 CE LYS A 98 -1.752 -11.320 -5.526 1.00 0.00 C ATOM 1567 NZ LYS A 98 -1.186 -10.040 -6.034 1.00 0.00 N ATOM 1568 OXT LYS A 98 0.631 -12.881 -0.225 1.00 0.00 O ATOM 0 H LYS A 98 0.123 -10.085 -1.557 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.725 -11.190 0.415 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.805 -12.092 -1.709 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.776 -10.348 -1.539 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.887 -10.173 -3.078 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -0.735 -11.917 -3.156 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.155 -11.955 -4.032 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.026 -10.216 -4.199 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.953 -12.055 -5.423 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.460 -11.718 -6.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.719 -10.206 -6.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.951 -9.346 -6.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.492 -9.673 -5.352 1.00 0.00 H new TER 1582 LYS A 98