USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 669 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 13 ASN : amide:sc= 0.0933 X(o=0.85,f=1.2) USER MOD Set 1.2: A 17 SER OG : rot -2:sc= 0.756 USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.124 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc=-0.00837 X(o=-0.0084,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.093 X(o=-0.093,f=-0.00092) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 167:sc= -0.0348 (180deg=-0.274) USER MOD Single : A 19 MET CE :methyl -162:sc= -0.136 (180deg=-0.602) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.819 K(o=-0.82,f=-3!) USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= -0.0231 (180deg=-0.21) USER MOD Single : A 29 LYS NZ :NH3+ -116:sc= -0.468 (180deg=-2.07!) USER MOD Single : A 33 LYS NZ :NH3+ 172:sc=-0.00527 (180deg=-0.0913) USER MOD Single : A 35 SER OG : rot 93:sc= 1.18 USER MOD Single : A 36 GLN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 173:sc=-0.00759 (180deg=-0.0667) USER MOD Single : A 42 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.17) USER MOD Single : A 44 MET CE :methyl -141:sc= -0.0778 (180deg=-0.499) USER MOD Single : A 45 SER OG : rot -90:sc= -0.083 USER MOD Single : A 47 GLN :FLIP amide:sc= -1.57 F(o=-2.6!,f=-1.6) USER MOD Single : A 48 CYS SG : rot 4:sc= -5.14! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot 5:sc= -2.98! USER MOD Single : A 52 MET CE :methyl 160:sc= -0.0899 (180deg=-0.596) USER MOD Single : A 53 GLN :FLIP amide:sc=-0.00495 F(o=-2.4,f=-0.0049) USER MOD Single : A 54 THR OG1 : rot 116:sc= 1.14 USER MOD Single : A 57 CYS SG : rot 25:sc= 0.22 USER MOD Single : A 58 THR OG1 : rot -22:sc= 0.394 USER MOD Single : A 59 THR OG1 : rot 2:sc= 0.609 USER MOD Single : A 60 SER OG : rot 180:sc= 0.00836 USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0324) USER MOD Single : A 64 CYS SG : rot -66:sc= -3.63! USER MOD Single : A 67 HIS : no HE2:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 71 LYS NZ :NH3+ -139:sc= 0.877 (180deg=-0.333) USER MOD Single : A 72 HIS : no HE2:sc= -1.24 X(o=-1.2,f=-1.4) USER MOD Single : A 74 LYS NZ :NH3+ -128:sc= -1.2 (180deg=-1.43!) USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -174:sc= 0.0222 (180deg=-0.17) USER MOD Single : A 86 LYS NZ :NH3+ 169:sc= -0.018 (180deg=-0.201) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.979 12.144 -17.694 1.00 19.14 N ATOM 2 CA GLY A 1 24.929 10.840 -17.019 1.00 18.53 C ATOM 3 C GLY A 1 26.124 10.002 -17.361 1.00 18.04 C ATOM 4 O GLY A 1 27.050 10.486 -17.992 1.00 17.99 O ATOM 0 H1 GLY A 1 24.932 12.904 -16.985 1.00 19.14 H new ATOM 0 H2 GLY A 1 25.867 12.224 -18.229 1.00 19.14 H new ATOM 0 H3 GLY A 1 24.173 12.229 -18.346 1.00 19.14 H new ATOM 0 HA2 GLY A 1 24.883 10.988 -15.940 1.00 18.53 H new ATOM 0 HA3 GLY A 1 24.019 10.314 -17.307 1.00 18.53 H new ATOM 10 N HIS A 2 26.111 8.736 -16.938 1.00 17.81 N ATOM 11 CA HIS A 2 27.186 7.742 -17.259 1.00 17.49 C ATOM 12 C HIS A 2 28.575 8.158 -16.699 1.00 16.98 C ATOM 13 O HIS A 2 29.607 7.600 -17.089 1.00 17.17 O ATOM 14 CB HIS A 2 27.302 7.488 -18.799 1.00 17.97 C ATOM 15 CG HIS A 2 26.048 6.973 -19.468 1.00 18.64 C ATOM 16 ND1 HIS A 2 25.747 5.638 -19.592 1.00 19.07 N ATOM 17 CD2 HIS A 2 25.029 7.638 -20.071 1.00 19.08 C ATOM 18 CE1 HIS A 2 24.608 5.498 -20.238 1.00 19.72 C ATOM 19 NE2 HIS A 2 24.152 6.699 -20.540 1.00 19.74 N ATOM 0 H HIS A 2 25.362 8.352 -16.361 1.00 17.81 H new ATOM 0 HA HIS A 2 26.885 6.818 -16.766 1.00 17.49 H new ATOM 0 HB2 HIS A 2 27.595 8.420 -19.283 1.00 17.97 H new ATOM 0 HB3 HIS A 2 28.106 6.773 -18.972 1.00 17.97 H new ATOM 0 HD2 HIS A 2 24.930 8.709 -20.163 1.00 19.08 H new ATOM 0 HE1 HIS A 2 24.129 4.561 -20.479 1.00 19.72 H new ATOM 0 HE2 HIS A 2 23.286 6.895 -21.042 1.00 19.74 H new ATOM 28 N HIS A 3 28.599 9.098 -15.770 1.00 16.46 N ATOM 29 CA HIS A 3 29.871 9.556 -15.208 1.00 16.07 C ATOM 30 C HIS A 3 30.350 8.610 -14.110 1.00 15.28 C ATOM 31 O HIS A 3 30.050 8.809 -12.921 1.00 15.31 O ATOM 32 CB HIS A 3 29.817 11.014 -14.694 1.00 16.31 C ATOM 33 CG HIS A 3 29.573 12.062 -15.755 1.00 16.79 C ATOM 34 ND1 HIS A 3 28.948 13.279 -15.501 1.00 17.14 N ATOM 35 CD2 HIS A 3 29.907 12.090 -17.074 1.00 17.13 C ATOM 36 CE1 HIS A 3 28.906 13.990 -16.614 1.00 17.67 C ATOM 37 NE2 HIS A 3 29.487 13.294 -17.575 1.00 17.67 N ATOM 0 H HIS A 3 27.771 9.556 -15.390 1.00 16.46 H new ATOM 0 HA HIS A 3 30.593 9.544 -16.025 1.00 16.07 H new ATOM 0 HB2 HIS A 3 29.029 11.089 -13.944 1.00 16.31 H new ATOM 0 HB3 HIS A 3 30.758 11.240 -14.192 1.00 16.31 H new ATOM 0 HD2 HIS A 3 30.410 11.308 -17.624 1.00 17.13 H new ATOM 0 HE1 HIS A 3 28.471 14.973 -16.720 1.00 17.67 H new ATOM 0 HE2 HIS A 3 29.605 13.605 -18.539 1.00 17.67 H new ATOM 46 N HIS A 4 31.048 7.547 -14.530 1.00 14.74 N ATOM 47 CA HIS A 4 31.549 6.495 -13.635 1.00 14.10 C ATOM 48 C HIS A 4 30.373 5.676 -13.061 1.00 13.70 C ATOM 49 O HIS A 4 29.219 5.879 -13.433 1.00 14.01 O ATOM 50 CB HIS A 4 32.444 7.049 -12.485 1.00 13.88 C ATOM 51 CG HIS A 4 33.727 7.717 -12.933 1.00 13.85 C ATOM 52 ND1 HIS A 4 34.003 9.054 -12.719 1.00 14.10 N ATOM 53 CD2 HIS A 4 34.831 7.204 -13.538 1.00 13.80 C ATOM 54 CE1 HIS A 4 35.211 9.323 -13.166 1.00 14.18 C ATOM 55 NE2 HIS A 4 35.732 8.227 -13.667 1.00 14.00 N ATOM 0 H HIS A 4 31.283 7.391 -15.510 1.00 14.74 H new ATOM 0 HA HIS A 4 32.184 5.845 -14.236 1.00 14.10 H new ATOM 0 HB2 HIS A 4 31.862 7.767 -11.907 1.00 13.88 H new ATOM 0 HB3 HIS A 4 32.696 6.228 -11.814 1.00 13.88 H new ATOM 0 HD2 HIS A 4 34.971 6.182 -13.857 1.00 13.80 H new ATOM 0 HE1 HIS A 4 35.695 10.288 -13.127 1.00 14.18 H new ATOM 0 HE2 HIS A 4 36.659 8.150 -14.085 1.00 14.00 H new ATOM 64 N HIS A 5 30.667 4.737 -12.198 1.00 13.18 N ATOM 65 CA HIS A 5 29.620 3.925 -11.586 1.00 12.93 C ATOM 66 C HIS A 5 29.616 4.138 -10.097 1.00 12.32 C ATOM 67 O HIS A 5 30.605 3.891 -9.437 1.00 12.40 O ATOM 68 CB HIS A 5 29.764 2.430 -11.932 1.00 13.06 C ATOM 69 CG HIS A 5 29.557 2.105 -13.393 1.00 13.43 C ATOM 70 ND1 HIS A 5 30.590 1.789 -14.258 1.00 13.64 N ATOM 71 CD2 HIS A 5 28.417 2.032 -14.133 1.00 13.81 C ATOM 72 CE1 HIS A 5 30.102 1.545 -15.456 1.00 14.12 C ATOM 73 NE2 HIS A 5 28.788 1.684 -15.413 1.00 14.24 N ATOM 0 H HIS A 5 31.615 4.509 -11.898 1.00 13.18 H new ATOM 0 HA HIS A 5 28.663 4.247 -11.996 1.00 12.93 H new ATOM 0 HB2 HIS A 5 30.758 2.095 -11.635 1.00 13.06 H new ATOM 0 HB3 HIS A 5 29.046 1.862 -11.341 1.00 13.06 H new ATOM 0 HD2 HIS A 5 27.412 2.213 -13.783 1.00 13.81 H new ATOM 0 HE1 HIS A 5 30.679 1.276 -16.329 1.00 14.12 H new ATOM 0 HE2 HIS A 5 28.152 1.555 -16.200 1.00 14.24 H new ATOM 82 N HIS A 6 28.521 4.651 -9.579 1.00 11.88 N ATOM 83 CA HIS A 6 28.381 4.894 -8.140 1.00 11.42 C ATOM 84 C HIS A 6 26.996 4.482 -7.648 1.00 10.42 C ATOM 85 O HIS A 6 26.848 3.964 -6.551 1.00 10.22 O ATOM 86 CB HIS A 6 28.657 6.374 -7.755 1.00 11.97 C ATOM 87 CG HIS A 6 30.097 6.832 -7.896 1.00 12.55 C ATOM 88 ND1 HIS A 6 30.998 6.840 -6.847 1.00 12.82 N ATOM 89 CD2 HIS A 6 30.774 7.317 -8.963 1.00 13.11 C ATOM 90 CE1 HIS A 6 32.161 7.304 -7.270 1.00 13.49 C ATOM 91 NE2 HIS A 6 32.053 7.597 -8.543 1.00 13.67 N ATOM 0 H HIS A 6 27.703 4.913 -10.129 1.00 11.88 H new ATOM 0 HA HIS A 6 29.136 4.279 -7.650 1.00 11.42 H new ATOM 0 HB2 HIS A 6 28.029 7.015 -8.374 1.00 11.97 H new ATOM 0 HB3 HIS A 6 28.346 6.526 -6.721 1.00 11.97 H new ATOM 0 HD2 HIS A 6 30.382 7.458 -9.960 1.00 13.11 H new ATOM 0 HE1 HIS A 6 33.050 7.422 -6.668 1.00 13.49 H new ATOM 0 HE2 HIS A 6 32.799 7.973 -9.129 1.00 13.67 H new ATOM 100 N HIS A 7 25.993 4.744 -8.446 1.00 9.98 N ATOM 101 CA HIS A 7 24.612 4.408 -8.115 1.00 9.18 C ATOM 102 C HIS A 7 23.921 3.957 -9.378 1.00 9.04 C ATOM 103 O HIS A 7 24.279 4.429 -10.458 1.00 9.71 O ATOM 104 CB HIS A 7 23.832 5.637 -7.551 1.00 9.12 C ATOM 105 CG HIS A 7 24.321 6.193 -6.235 1.00 9.44 C ATOM 106 ND1 HIS A 7 23.590 6.127 -5.070 1.00 9.56 N ATOM 107 CD2 HIS A 7 25.458 6.856 -5.916 1.00 9.92 C ATOM 108 CE1 HIS A 7 24.254 6.714 -4.102 1.00 10.08 C ATOM 109 NE2 HIS A 7 25.389 7.165 -4.582 1.00 10.30 N ATOM 0 H HIS A 7 26.101 5.199 -9.352 1.00 9.98 H new ATOM 0 HA HIS A 7 24.624 3.629 -7.353 1.00 9.18 H new ATOM 0 HB2 HIS A 7 23.867 6.434 -8.293 1.00 9.12 H new ATOM 0 HB3 HIS A 7 22.786 5.354 -7.435 1.00 9.12 H new ATOM 0 HD2 HIS A 7 26.269 7.097 -6.588 1.00 9.92 H new ATOM 0 HE1 HIS A 7 23.921 6.810 -3.079 1.00 10.08 H new ATOM 0 HE2 HIS A 7 26.103 7.663 -4.050 1.00 10.30 H new ATOM 118 N LEU A 8 22.956 3.041 -9.225 1.00 8.37 N ATOM 119 CA LEU A 8 22.103 2.536 -10.323 1.00 8.37 C ATOM 120 C LEU A 8 22.863 1.683 -11.348 1.00 8.86 C ATOM 121 O LEU A 8 23.642 2.190 -12.147 1.00 9.23 O ATOM 122 CB LEU A 8 21.333 3.688 -11.028 1.00 9.01 C ATOM 123 CG LEU A 8 20.431 3.295 -12.214 1.00 9.38 C ATOM 124 CD1 LEU A 8 19.305 2.377 -11.773 1.00 9.11 C ATOM 125 CD2 LEU A 8 19.874 4.537 -12.903 1.00 10.10 C ATOM 0 H LEU A 8 22.738 2.619 -8.322 1.00 8.37 H new ATOM 0 HA LEU A 8 21.379 1.875 -9.847 1.00 8.37 H new ATOM 0 HB2 LEU A 8 20.716 4.190 -10.283 1.00 9.01 H new ATOM 0 HB3 LEU A 8 22.062 4.417 -11.382 1.00 9.01 H new ATOM 0 HG LEU A 8 21.045 2.748 -12.930 1.00 9.38 H new ATOM 0 HD11 LEU A 8 18.688 2.119 -12.634 1.00 9.11 H new ATOM 0 HD12 LEU A 8 19.724 1.468 -11.342 1.00 9.11 H new ATOM 0 HD13 LEU A 8 18.693 2.884 -11.027 1.00 9.11 H new ATOM 0 HD21 LEU A 8 19.240 4.237 -13.737 1.00 10.10 H new ATOM 0 HD22 LEU A 8 19.286 5.116 -12.190 1.00 10.10 H new ATOM 0 HD23 LEU A 8 20.697 5.147 -13.274 1.00 10.10 H new ATOM 137 N GLU A 9 22.632 0.383 -11.307 1.00 9.12 N ATOM 138 CA GLU A 9 23.188 -0.517 -12.309 1.00 9.86 C ATOM 139 C GLU A 9 22.038 -1.243 -12.993 1.00 9.89 C ATOM 140 O GLU A 9 21.675 -0.942 -14.131 1.00 10.56 O ATOM 141 CB GLU A 9 24.161 -1.540 -11.702 1.00 10.56 C ATOM 142 CG GLU A 9 25.360 -0.945 -10.973 1.00 11.13 C ATOM 143 CD GLU A 9 26.334 -2.009 -10.504 1.00 11.53 C ATOM 144 OE1 GLU A 9 26.007 -2.743 -9.542 1.00 11.70 O ATOM 145 OE2 GLU A 9 27.428 -2.126 -11.089 1.00 11.87 O ATOM 0 H GLU A 9 22.065 -0.075 -10.594 1.00 9.12 H new ATOM 0 HA GLU A 9 23.757 0.076 -13.025 1.00 9.86 H new ATOM 0 HB2 GLU A 9 23.610 -2.172 -11.005 1.00 10.56 H new ATOM 0 HB3 GLU A 9 24.526 -2.187 -12.499 1.00 10.56 H new ATOM 0 HG2 GLU A 9 25.876 -0.249 -11.635 1.00 11.13 H new ATOM 0 HG3 GLU A 9 25.012 -0.370 -10.115 1.00 11.13 H new ATOM 152 N GLY A 10 21.417 -2.151 -12.257 1.00 9.36 N ATOM 153 CA GLY A 10 20.321 -2.917 -12.782 1.00 9.60 C ATOM 154 C GLY A 10 19.785 -3.879 -11.759 1.00 8.87 C ATOM 155 O GLY A 10 20.069 -5.066 -11.806 1.00 9.04 O ATOM 0 H GLY A 10 21.662 -2.369 -11.291 1.00 9.36 H new ATOM 0 HA2 GLY A 10 19.526 -2.244 -13.103 1.00 9.60 H new ATOM 0 HA3 GLY A 10 20.649 -3.467 -13.664 1.00 9.60 H new ATOM 159 N GLY A 11 19.038 -3.354 -10.813 1.00 8.30 N ATOM 160 CA GLY A 11 18.448 -4.191 -9.788 1.00 7.80 C ATOM 161 C GLY A 11 17.204 -4.896 -10.285 1.00 8.13 C ATOM 162 O GLY A 11 17.116 -6.109 -10.237 1.00 8.45 O ATOM 0 H GLY A 11 18.825 -2.360 -10.731 1.00 8.30 H new ATOM 0 HA2 GLY A 11 19.178 -4.931 -9.458 1.00 7.80 H new ATOM 0 HA3 GLY A 11 18.198 -3.581 -8.920 1.00 7.80 H new ATOM 166 N GLY A 12 16.230 -4.122 -10.756 1.00 8.34 N ATOM 167 CA GLY A 12 15.012 -4.699 -11.314 1.00 8.95 C ATOM 168 C GLY A 12 13.968 -5.016 -10.253 1.00 8.79 C ATOM 169 O GLY A 12 12.786 -4.811 -10.477 1.00 9.24 O ATOM 0 H GLY A 12 16.260 -3.102 -10.763 1.00 8.34 H new ATOM 0 HA2 GLY A 12 14.587 -4.006 -12.040 1.00 8.95 H new ATOM 0 HA3 GLY A 12 15.263 -5.612 -11.854 1.00 8.95 H new ATOM 173 N ASN A 13 14.441 -5.491 -9.104 1.00 8.39 N ATOM 174 CA ASN A 13 13.617 -5.917 -7.957 1.00 8.53 C ATOM 175 C ASN A 13 12.974 -7.275 -8.228 1.00 9.29 C ATOM 176 O ASN A 13 11.927 -7.377 -8.874 1.00 9.68 O ATOM 177 CB ASN A 13 12.553 -4.875 -7.525 1.00 8.84 C ATOM 178 CG ASN A 13 11.656 -5.351 -6.364 1.00 9.25 C ATOM 179 OD1 ASN A 13 10.487 -4.986 -6.281 1.00 9.50 O ATOM 180 ND2 ASN A 13 12.195 -6.143 -5.455 1.00 9.58 N ATOM 0 H ASN A 13 15.441 -5.597 -8.932 1.00 8.39 H new ATOM 0 HA ASN A 13 14.301 -6.006 -7.113 1.00 8.53 H new ATOM 0 HB2 ASN A 13 13.057 -3.955 -7.229 1.00 8.84 H new ATOM 0 HB3 ASN A 13 11.925 -4.633 -8.382 1.00 8.84 H new ATOM 0 HD21 ASN A 13 11.638 -6.464 -4.663 1.00 9.58 H new ATOM 0 HD22 ASN A 13 13.169 -6.434 -5.545 1.00 9.58 H new ATOM 187 N ALA A 14 13.634 -8.310 -7.759 1.00 9.70 N ATOM 188 CA ALA A 14 13.182 -9.674 -7.955 1.00 10.58 C ATOM 189 C ALA A 14 12.681 -10.291 -6.630 1.00 11.08 C ATOM 190 O ALA A 14 12.473 -9.570 -5.630 1.00 11.12 O ATOM 191 CB ALA A 14 14.324 -10.498 -8.544 1.00 10.70 C ATOM 0 H ALA A 14 14.502 -8.232 -7.229 1.00 9.70 H new ATOM 0 HA ALA A 14 12.341 -9.676 -8.649 1.00 10.58 H new ATOM 0 HB1 ALA A 14 13.992 -11.525 -8.694 1.00 10.70 H new ATOM 0 HB2 ALA A 14 14.626 -10.071 -9.500 1.00 10.70 H new ATOM 0 HB3 ALA A 14 15.171 -10.487 -7.859 1.00 10.70 H new ATOM 197 N GLN A 15 12.496 -11.630 -6.649 1.00 11.67 N ATOM 198 CA GLN A 15 12.028 -12.438 -5.499 1.00 12.40 C ATOM 199 C GLN A 15 12.780 -12.132 -4.215 1.00 12.25 C ATOM 200 O GLN A 15 13.964 -11.732 -4.232 1.00 12.05 O ATOM 201 CB GLN A 15 12.123 -13.925 -5.823 1.00 13.27 C ATOM 202 CG GLN A 15 11.305 -14.368 -7.024 1.00 13.75 C ATOM 203 CD GLN A 15 11.477 -15.842 -7.336 1.00 14.68 C ATOM 204 OE1 GLN A 15 10.738 -16.683 -6.823 1.00 15.07 O ATOM 205 NE2 GLN A 15 12.429 -16.163 -8.190 1.00 15.18 N ATOM 0 H GLN A 15 12.672 -12.192 -7.482 1.00 11.67 H new ATOM 0 HA GLN A 15 10.987 -12.166 -5.328 1.00 12.40 H new ATOM 0 HB2 GLN A 15 13.168 -14.178 -6.000 1.00 13.27 H new ATOM 0 HB3 GLN A 15 11.800 -14.494 -4.951 1.00 13.27 H new ATOM 0 HG2 GLN A 15 10.251 -14.161 -6.838 1.00 13.75 H new ATOM 0 HG3 GLN A 15 11.597 -13.780 -7.894 1.00 13.75 H new ATOM 0 HE21 GLN A 15 13.020 -15.435 -8.592 1.00 15.18 H new ATOM 0 HE22 GLN A 15 12.575 -17.139 -8.448 1.00 15.18 H new ATOM 214 N LYS A 16 12.065 -12.304 -3.089 1.00 12.53 N ATOM 215 CA LYS A 16 12.549 -11.980 -1.736 1.00 12.66 C ATOM 216 C LYS A 16 12.556 -10.475 -1.493 1.00 11.86 C ATOM 217 O LYS A 16 12.142 -10.019 -0.439 1.00 12.01 O ATOM 218 CB LYS A 16 13.937 -12.632 -1.379 1.00 12.80 C ATOM 219 CG LYS A 16 13.905 -14.121 -0.958 1.00 13.55 C ATOM 220 CD LYS A 16 13.274 -15.041 -1.992 1.00 14.34 C ATOM 221 CE LYS A 16 13.253 -16.495 -1.510 1.00 15.06 C ATOM 222 NZ LYS A 16 12.489 -16.663 -0.236 1.00 15.42 N ATOM 0 H LYS A 16 11.117 -12.679 -3.095 1.00 12.53 H new ATOM 0 HA LYS A 16 11.832 -12.434 -1.052 1.00 12.66 H new ATOM 0 HB2 LYS A 16 14.594 -12.535 -2.244 1.00 12.80 H new ATOM 0 HB3 LYS A 16 14.388 -12.057 -0.570 1.00 12.80 H new ATOM 0 HG2 LYS A 16 14.924 -14.455 -0.763 1.00 13.55 H new ATOM 0 HG3 LYS A 16 13.355 -14.212 -0.021 1.00 13.55 H new ATOM 0 HD2 LYS A 16 12.256 -14.711 -2.202 1.00 14.34 H new ATOM 0 HD3 LYS A 16 13.830 -14.974 -2.927 1.00 14.34 H new ATOM 0 HE2 LYS A 16 12.810 -17.124 -2.282 1.00 15.06 H new ATOM 0 HE3 LYS A 16 14.276 -16.842 -1.365 1.00 15.06 H new ATOM 0 HZ1 LYS A 16 12.315 -17.674 -0.067 1.00 15.42 H new ATOM 0 HZ2 LYS A 16 13.040 -16.270 0.554 1.00 15.42 H new ATOM 0 HZ3 LYS A 16 11.580 -16.162 -0.307 1.00 15.42 H new ATOM 236 N SER A 17 13.031 -9.712 -2.496 1.00 11.21 N ATOM 237 CA SER A 17 13.109 -8.247 -2.441 1.00 10.50 C ATOM 238 C SER A 17 14.055 -7.748 -1.335 1.00 10.66 C ATOM 239 O SER A 17 14.155 -6.559 -1.077 1.00 10.17 O ATOM 240 CB SER A 17 11.710 -7.614 -2.331 1.00 10.42 C ATOM 241 OG SER A 17 10.945 -7.903 -3.490 1.00 10.72 O ATOM 0 H SER A 17 13.374 -10.103 -3.374 1.00 11.21 H new ATOM 0 HA SER A 17 13.544 -7.918 -3.385 1.00 10.50 H new ATOM 0 HB2 SER A 17 11.200 -7.995 -1.446 1.00 10.42 H new ATOM 0 HB3 SER A 17 11.801 -6.535 -2.207 1.00 10.42 H new ATOM 0 HG SER A 17 11.492 -8.412 -4.124 1.00 10.72 H new ATOM 247 N ALA A 18 14.752 -8.655 -0.717 1.00 11.52 N ATOM 248 CA ALA A 18 15.726 -8.288 0.295 1.00 11.99 C ATOM 249 C ALA A 18 17.049 -8.010 -0.383 1.00 11.45 C ATOM 250 O ALA A 18 17.462 -6.863 -0.538 1.00 11.42 O ATOM 251 CB ALA A 18 15.865 -9.381 1.351 1.00 13.14 C ATOM 0 H ALA A 18 14.672 -9.657 -0.889 1.00 11.52 H new ATOM 0 HA ALA A 18 15.389 -7.390 0.813 1.00 11.99 H new ATOM 0 HB1 ALA A 18 16.601 -9.077 2.095 1.00 13.14 H new ATOM 0 HB2 ALA A 18 14.903 -9.541 1.837 1.00 13.14 H new ATOM 0 HB3 ALA A 18 16.190 -10.307 0.876 1.00 13.14 H new ATOM 257 N MET A 19 17.671 -9.061 -0.854 1.00 11.20 N ATOM 258 CA MET A 19 18.940 -8.956 -1.555 1.00 10.90 C ATOM 259 C MET A 19 18.694 -8.490 -2.999 1.00 9.99 C ATOM 260 O MET A 19 19.579 -7.973 -3.655 1.00 9.63 O ATOM 261 CB MET A 19 19.639 -10.328 -1.550 1.00 11.94 C ATOM 262 CG MET A 19 21.017 -10.343 -2.209 1.00 12.49 C ATOM 263 SD MET A 19 21.791 -11.979 -2.201 1.00 13.40 S ATOM 264 CE MET A 19 21.909 -12.300 -0.431 1.00 14.08 C ATOM 0 H MET A 19 17.319 -10.014 -0.766 1.00 11.20 H new ATOM 0 HA MET A 19 19.579 -8.228 -1.055 1.00 10.90 H new ATOM 0 HB2 MET A 19 19.741 -10.665 -0.519 1.00 11.94 H new ATOM 0 HB3 MET A 19 18.999 -11.049 -2.060 1.00 11.94 H new ATOM 0 HG2 MET A 19 20.925 -9.997 -3.238 1.00 12.49 H new ATOM 0 HG3 MET A 19 21.668 -9.637 -1.692 1.00 12.49 H new ATOM 0 HE1 MET A 19 22.633 -13.095 -0.253 1.00 14.08 H new ATOM 0 HE2 MET A 19 22.231 -11.394 0.082 1.00 14.08 H new ATOM 0 HE3 MET A 19 20.934 -12.605 -0.051 1.00 14.08 H new ATOM 274 N ALA A 20 17.450 -8.620 -3.448 1.00 9.77 N ATOM 275 CA ALA A 20 17.078 -8.309 -4.828 1.00 9.13 C ATOM 276 C ALA A 20 16.945 -6.801 -5.087 1.00 8.17 C ATOM 277 O ALA A 20 16.508 -6.387 -6.167 1.00 7.84 O ATOM 278 CB ALA A 20 15.791 -9.008 -5.182 1.00 9.45 C ATOM 0 H ALA A 20 16.673 -8.942 -2.871 1.00 9.77 H new ATOM 0 HA ALA A 20 17.887 -8.669 -5.464 1.00 9.13 H new ATOM 0 HB1 ALA A 20 15.520 -8.772 -6.211 1.00 9.45 H new ATOM 0 HB2 ALA A 20 15.922 -10.085 -5.079 1.00 9.45 H new ATOM 0 HB3 ALA A 20 14.999 -8.673 -4.512 1.00 9.45 H new ATOM 284 N ARG A 21 17.272 -5.999 -4.101 1.00 7.98 N ATOM 285 CA ARG A 21 17.258 -4.551 -4.269 1.00 7.29 C ATOM 286 C ARG A 21 18.676 -4.012 -4.338 1.00 7.26 C ATOM 287 O ARG A 21 18.961 -3.191 -5.180 1.00 7.10 O ATOM 288 CB ARG A 21 16.423 -3.860 -3.184 1.00 7.43 C ATOM 289 CG ARG A 21 14.920 -4.147 -3.279 1.00 8.11 C ATOM 290 CD ARG A 21 14.148 -3.526 -2.121 1.00 8.51 C ATOM 291 NE ARG A 21 12.679 -3.703 -2.272 1.00 8.99 N ATOM 292 CZ ARG A 21 11.842 -4.110 -1.309 1.00 9.65 C ATOM 293 NH1 ARG A 21 12.331 -4.568 -0.153 1.00 9.90 N ATOM 294 NH2 ARG A 21 10.519 -4.112 -1.524 1.00 10.29 N ATOM 0 H ARG A 21 17.552 -6.316 -3.173 1.00 7.98 H new ATOM 0 HA ARG A 21 16.771 -4.322 -5.217 1.00 7.29 H new ATOM 0 HB2 ARG A 21 16.782 -4.178 -2.205 1.00 7.43 H new ATOM 0 HB3 ARG A 21 16.582 -2.784 -3.248 1.00 7.43 H new ATOM 0 HG2 ARG A 21 14.535 -3.758 -4.222 1.00 8.11 H new ATOM 0 HG3 ARG A 21 14.756 -5.225 -3.288 1.00 8.11 H new ATOM 0 HD2 ARG A 21 14.473 -3.979 -1.184 1.00 8.51 H new ATOM 0 HD3 ARG A 21 14.381 -2.463 -2.059 1.00 8.51 H new ATOM 0 HE ARG A 21 12.275 -3.497 -3.186 1.00 8.99 H new ATOM 0 HH11 ARG A 21 13.340 -4.607 -0.006 1.00 9.90 H new ATOM 0 HH12 ARG A 21 11.696 -4.879 0.582 1.00 9.90 H new ATOM 0 HH21 ARG A 21 10.148 -3.803 -2.422 1.00 10.29 H new ATOM 0 HH22 ARG A 21 9.883 -4.422 -0.789 1.00 10.29 H new ATOM 308 N ALA A 22 19.552 -4.483 -3.424 1.00 7.72 N ATOM 309 CA ALA A 22 20.996 -4.152 -3.416 1.00 8.05 C ATOM 310 C ALA A 22 21.278 -2.640 -3.385 1.00 7.56 C ATOM 311 O ALA A 22 22.345 -2.206 -3.839 1.00 7.73 O ATOM 312 CB ALA A 22 21.687 -4.800 -4.620 1.00 9.15 C ATOM 0 H ALA A 22 19.277 -5.107 -2.666 1.00 7.72 H new ATOM 0 HA ALA A 22 21.405 -4.556 -2.490 1.00 8.05 H new ATOM 0 HB1 ALA A 22 22.748 -4.552 -4.607 1.00 9.15 H new ATOM 0 HB2 ALA A 22 21.566 -5.882 -4.570 1.00 9.15 H new ATOM 0 HB3 ALA A 22 21.238 -4.427 -5.541 1.00 9.15 H new ATOM 318 N LYS A 23 20.344 -1.858 -2.797 1.00 7.27 N ATOM 319 CA LYS A 23 20.429 -0.404 -2.682 1.00 7.12 C ATOM 320 C LYS A 23 20.294 0.249 -4.058 1.00 6.46 C ATOM 321 O LYS A 23 20.582 1.438 -4.235 1.00 6.78 O ATOM 322 CB LYS A 23 21.750 -0.031 -2.041 1.00 8.04 C ATOM 323 CG LYS A 23 21.824 1.371 -1.480 1.00 8.77 C ATOM 324 CD LYS A 23 23.103 1.570 -0.660 1.00 9.62 C ATOM 325 CE LYS A 23 24.363 1.276 -1.472 1.00 10.49 C ATOM 326 NZ LYS A 23 25.590 1.422 -0.656 1.00 11.12 N ATOM 0 H LYS A 23 19.494 -2.241 -2.383 1.00 7.27 H new ATOM 0 HA LYS A 23 19.613 -0.042 -2.057 1.00 7.12 H new ATOM 0 HB2 LYS A 23 21.957 -0.737 -1.237 1.00 8.04 H new ATOM 0 HB3 LYS A 23 22.541 -0.150 -2.782 1.00 8.04 H new ATOM 0 HG2 LYS A 23 21.795 2.094 -2.295 1.00 8.77 H new ATOM 0 HG3 LYS A 23 20.953 1.562 -0.853 1.00 8.77 H new ATOM 0 HD2 LYS A 23 23.141 2.596 -0.293 1.00 9.62 H new ATOM 0 HD3 LYS A 23 23.077 0.919 0.214 1.00 9.62 H new ATOM 0 HE2 LYS A 23 24.310 0.263 -1.871 1.00 10.49 H new ATOM 0 HE3 LYS A 23 24.411 1.952 -2.325 1.00 10.49 H new ATOM 0 HZ1 LYS A 23 26.424 1.214 -1.242 1.00 11.12 H new ATOM 0 HZ2 LYS A 23 25.654 2.396 -0.296 1.00 11.12 H new ATOM 0 HZ3 LYS A 23 25.556 0.759 0.144 1.00 11.12 H new ATOM 340 N ASN A 24 19.836 -0.520 -5.025 1.00 5.86 N ATOM 341 CA ASN A 24 19.672 -0.010 -6.373 1.00 5.58 C ATOM 342 C ASN A 24 18.400 0.839 -6.453 1.00 5.25 C ATOM 343 O ASN A 24 18.247 1.674 -7.331 1.00 5.71 O ATOM 344 CB ASN A 24 19.576 -1.175 -7.394 1.00 5.59 C ATOM 345 CG ASN A 24 19.502 -0.712 -8.858 1.00 6.03 C ATOM 346 OD1 ASN A 24 20.516 -0.590 -9.531 1.00 6.46 O ATOM 347 ND2 ASN A 24 18.305 -0.452 -9.354 1.00 6.29 N ATOM 0 H ASN A 24 19.571 -1.498 -4.904 1.00 5.86 H new ATOM 0 HA ASN A 24 20.541 0.601 -6.617 1.00 5.58 H new ATOM 0 HB2 ASN A 24 20.442 -1.825 -7.272 1.00 5.59 H new ATOM 0 HB3 ASN A 24 18.694 -1.773 -7.167 1.00 5.59 H new ATOM 0 HD21 ASN A 24 18.210 -0.141 -10.321 1.00 6.29 H new ATOM 0 HD22 ASN A 24 17.476 -0.562 -8.770 1.00 6.29 H new ATOM 354 N LEU A 25 17.501 0.607 -5.514 1.00 4.87 N ATOM 355 CA LEU A 25 16.211 1.265 -5.490 1.00 4.97 C ATOM 356 C LEU A 25 15.869 1.732 -4.078 1.00 4.70 C ATOM 357 O LEU A 25 16.636 1.503 -3.122 1.00 4.86 O ATOM 358 CB LEU A 25 15.104 0.315 -5.998 1.00 5.36 C ATOM 359 CG LEU A 25 15.226 -0.194 -7.445 1.00 6.04 C ATOM 360 CD1 LEU A 25 14.104 -1.179 -7.742 1.00 6.81 C ATOM 361 CD2 LEU A 25 15.185 0.963 -8.444 1.00 6.58 C ATOM 0 H LEU A 25 17.647 -0.046 -4.744 1.00 4.87 H new ATOM 0 HA LEU A 25 16.268 2.132 -6.148 1.00 4.97 H new ATOM 0 HB2 LEU A 25 15.072 -0.551 -5.337 1.00 5.36 H new ATOM 0 HB3 LEU A 25 14.147 0.827 -5.899 1.00 5.36 H new ATOM 0 HG LEU A 25 16.188 -0.696 -7.550 1.00 6.04 H new ATOM 0 HD11 LEU A 25 14.195 -1.536 -8.768 1.00 6.81 H new ATOM 0 HD12 LEU A 25 14.171 -2.024 -7.056 1.00 6.81 H new ATOM 0 HD13 LEU A 25 13.142 -0.683 -7.615 1.00 6.81 H new ATOM 0 HD21 LEU A 25 15.273 0.572 -9.458 1.00 6.58 H new ATOM 0 HD22 LEU A 25 14.241 1.498 -8.343 1.00 6.58 H new ATOM 0 HD23 LEU A 25 16.012 1.645 -8.245 1.00 6.58 H new ATOM 373 N GLU A 26 14.715 2.349 -3.956 1.00 4.76 N ATOM 374 CA GLU A 26 14.213 2.886 -2.701 1.00 4.96 C ATOM 375 C GLU A 26 13.509 1.780 -1.897 1.00 4.83 C ATOM 376 O GLU A 26 13.586 0.586 -2.238 1.00 4.95 O ATOM 377 CB GLU A 26 13.188 3.985 -3.018 1.00 5.70 C ATOM 378 CG GLU A 26 13.700 5.072 -3.933 1.00 6.48 C ATOM 379 CD GLU A 26 12.630 6.097 -4.242 1.00 7.27 C ATOM 380 OE1 GLU A 26 11.731 5.816 -5.068 1.00 7.70 O ATOM 381 OE2 GLU A 26 12.684 7.218 -3.676 1.00 7.68 O ATOM 0 H GLU A 26 14.082 2.497 -4.742 1.00 4.76 H new ATOM 0 HA GLU A 26 15.044 3.283 -2.119 1.00 4.96 H new ATOM 0 HB2 GLU A 26 12.311 3.526 -3.475 1.00 5.70 H new ATOM 0 HB3 GLU A 26 12.860 4.439 -2.083 1.00 5.70 H new ATOM 0 HG2 GLU A 26 14.553 5.566 -3.468 1.00 6.48 H new ATOM 0 HG3 GLU A 26 14.056 4.627 -4.862 1.00 6.48 H new ATOM 388 N LYS A 27 12.831 2.179 -0.833 1.00 5.08 N ATOM 389 CA LYS A 27 12.054 1.265 -0.032 1.00 5.48 C ATOM 390 C LYS A 27 10.636 1.253 -0.579 1.00 5.57 C ATOM 391 O LYS A 27 10.136 2.277 -1.016 1.00 6.04 O ATOM 392 CB LYS A 27 12.009 1.711 1.440 1.00 6.20 C ATOM 393 CG LYS A 27 13.358 1.882 2.133 1.00 6.72 C ATOM 394 CD LYS A 27 14.203 0.613 2.100 1.00 7.40 C ATOM 395 CE LYS A 27 15.463 0.773 2.943 1.00 8.14 C ATOM 396 NZ LYS A 27 16.272 1.930 2.521 1.00 8.86 N ATOM 0 H LYS A 27 12.808 3.145 -0.506 1.00 5.08 H new ATOM 0 HA LYS A 27 12.511 0.277 -0.077 1.00 5.48 H new ATOM 0 HB2 LYS A 27 11.473 2.659 1.495 1.00 6.20 H new ATOM 0 HB3 LYS A 27 11.425 0.982 2.001 1.00 6.20 H new ATOM 0 HG2 LYS A 27 13.908 2.692 1.654 1.00 6.72 H new ATOM 0 HG3 LYS A 27 13.194 2.178 3.169 1.00 6.72 H new ATOM 0 HD2 LYS A 27 13.617 -0.228 2.471 1.00 7.40 H new ATOM 0 HD3 LYS A 27 14.477 0.381 1.071 1.00 7.40 H new ATOM 0 HE2 LYS A 27 15.185 0.889 3.991 1.00 8.14 H new ATOM 0 HE3 LYS A 27 16.064 -0.134 2.871 1.00 8.14 H new ATOM 0 HZ1 LYS A 27 17.212 1.876 2.963 1.00 8.86 H new ATOM 0 HZ2 LYS A 27 16.375 1.923 1.486 1.00 8.86 H new ATOM 0 HZ3 LYS A 27 15.801 2.809 2.816 1.00 8.86 H new ATOM 410 N ALA A 28 9.990 0.099 -0.555 1.00 5.50 N ATOM 411 CA ALA A 28 8.624 -0.006 -1.073 1.00 5.97 C ATOM 412 C ALA A 28 7.581 0.154 0.039 1.00 6.23 C ATOM 413 O ALA A 28 6.374 0.162 -0.223 1.00 6.48 O ATOM 414 CB ALA A 28 8.434 -1.336 -1.783 1.00 6.27 C ATOM 0 H ALA A 28 10.377 -0.771 -0.189 1.00 5.50 H new ATOM 0 HA ALA A 28 8.476 0.807 -1.784 1.00 5.97 H new ATOM 0 HB1 ALA A 28 7.415 -1.403 -2.164 1.00 6.27 H new ATOM 0 HB2 ALA A 28 9.137 -1.409 -2.613 1.00 6.27 H new ATOM 0 HB3 ALA A 28 8.614 -2.151 -1.082 1.00 6.27 H new ATOM 420 N LYS A 29 8.049 0.276 1.263 1.00 6.51 N ATOM 421 CA LYS A 29 7.201 0.405 2.416 1.00 7.02 C ATOM 422 C LYS A 29 8.105 0.706 3.597 1.00 6.93 C ATOM 423 O LYS A 29 9.270 0.290 3.591 1.00 7.10 O ATOM 424 CB LYS A 29 6.447 -0.925 2.653 1.00 7.79 C ATOM 425 CG LYS A 29 5.392 -0.906 3.764 1.00 8.36 C ATOM 426 CD LYS A 29 4.190 0.033 3.490 1.00 9.07 C ATOM 427 CE LYS A 29 3.327 -0.366 2.257 1.00 9.70 C ATOM 428 NZ LYS A 29 3.929 -0.029 0.933 1.00 10.01 N ATOM 0 H LYS A 29 9.045 0.288 1.482 1.00 6.51 H new ATOM 0 HA LYS A 29 6.465 1.197 2.280 1.00 7.02 H new ATOM 0 HB2 LYS A 29 5.961 -1.216 1.722 1.00 7.79 H new ATOM 0 HB3 LYS A 29 7.179 -1.699 2.886 1.00 7.79 H new ATOM 0 HG2 LYS A 29 5.019 -1.920 3.912 1.00 8.36 H new ATOM 0 HG3 LYS A 29 5.869 -0.603 4.696 1.00 8.36 H new ATOM 0 HD2 LYS A 29 3.552 0.053 4.373 1.00 9.07 H new ATOM 0 HD3 LYS A 29 4.563 1.047 3.344 1.00 9.07 H new ATOM 0 HE2 LYS A 29 3.142 -1.440 2.293 1.00 9.70 H new ATOM 0 HE3 LYS A 29 2.358 0.127 2.335 1.00 9.70 H new ATOM 0 HZ1 LYS A 29 3.332 0.671 0.448 1.00 10.01 H new ATOM 0 HZ2 LYS A 29 4.880 0.367 1.075 1.00 10.01 H new ATOM 0 HZ3 LYS A 29 3.995 -0.889 0.353 1.00 10.01 H new ATOM 442 N ALA A 30 7.604 1.435 4.585 1.00 7.00 N ATOM 443 CA ALA A 30 8.410 1.754 5.760 1.00 7.22 C ATOM 444 C ALA A 30 7.549 1.932 7.005 1.00 7.17 C ATOM 445 O ALA A 30 7.920 1.490 8.091 1.00 7.27 O ATOM 446 CB ALA A 30 9.260 2.998 5.507 1.00 7.43 C ATOM 0 H ALA A 30 6.657 1.813 4.600 1.00 7.00 H new ATOM 0 HA ALA A 30 9.074 0.909 5.942 1.00 7.22 H new ATOM 0 HB1 ALA A 30 9.853 3.220 6.394 1.00 7.43 H new ATOM 0 HB2 ALA A 30 9.924 2.819 4.661 1.00 7.43 H new ATOM 0 HB3 ALA A 30 8.610 3.844 5.285 1.00 7.43 H new ATOM 452 N ALA A 31 6.412 2.574 6.848 1.00 7.30 N ATOM 453 CA ALA A 31 5.529 2.819 7.972 1.00 7.49 C ATOM 454 C ALA A 31 4.483 1.721 8.098 1.00 7.26 C ATOM 455 O ALA A 31 4.187 1.010 7.123 1.00 7.29 O ATOM 456 CB ALA A 31 4.850 4.186 7.825 1.00 8.16 C ATOM 0 H ALA A 31 6.076 2.936 5.956 1.00 7.30 H new ATOM 0 HA ALA A 31 6.130 2.818 8.881 1.00 7.49 H new ATOM 0 HB1 ALA A 31 4.190 4.358 8.675 1.00 8.16 H new ATOM 0 HB2 ALA A 31 5.609 4.968 7.791 1.00 8.16 H new ATOM 0 HB3 ALA A 31 4.268 4.206 6.904 1.00 8.16 H new ATOM 462 N GLY A 32 3.929 1.592 9.293 1.00 7.31 N ATOM 463 CA GLY A 32 2.912 0.609 9.555 1.00 7.37 C ATOM 464 C GLY A 32 1.795 1.206 10.393 1.00 7.39 C ATOM 465 O GLY A 32 1.743 2.428 10.574 1.00 7.69 O ATOM 0 H GLY A 32 4.176 2.166 10.099 1.00 7.31 H new ATOM 0 HA2 GLY A 32 2.508 0.236 8.614 1.00 7.37 H new ATOM 0 HA3 GLY A 32 3.348 -0.244 10.075 1.00 7.37 H new ATOM 469 N LYS A 33 0.916 0.346 10.920 1.00 7.33 N ATOM 470 CA LYS A 33 -0.210 0.783 11.758 1.00 7.58 C ATOM 471 C LYS A 33 0.298 1.483 13.013 1.00 7.81 C ATOM 472 O LYS A 33 0.884 0.865 13.894 1.00 8.09 O ATOM 473 CB LYS A 33 -1.106 -0.405 12.139 1.00 7.70 C ATOM 474 CG LYS A 33 -2.319 -0.035 13.000 1.00 7.71 C ATOM 475 CD LYS A 33 -3.135 -1.274 13.384 1.00 8.10 C ATOM 476 CE LYS A 33 -4.332 -0.914 14.274 1.00 8.68 C ATOM 477 NZ LYS A 33 -5.284 0.005 13.610 1.00 8.86 N ATOM 0 H LYS A 33 0.962 -0.663 10.780 1.00 7.33 H new ATOM 0 HA LYS A 33 -0.806 1.489 11.179 1.00 7.58 H new ATOM 0 HB2 LYS A 33 -1.457 -0.886 11.226 1.00 7.70 H new ATOM 0 HB3 LYS A 33 -0.506 -1.139 12.676 1.00 7.70 H new ATOM 0 HG2 LYS A 33 -1.983 0.475 13.903 1.00 7.71 H new ATOM 0 HG3 LYS A 33 -2.953 0.665 12.456 1.00 7.71 H new ATOM 0 HD2 LYS A 33 -3.490 -1.770 12.481 1.00 8.10 H new ATOM 0 HD3 LYS A 33 -2.494 -1.984 13.907 1.00 8.10 H new ATOM 0 HE2 LYS A 33 -4.854 -1.827 14.559 1.00 8.68 H new ATOM 0 HE3 LYS A 33 -3.970 -0.453 15.193 1.00 8.68 H new ATOM 0 HZ1 LYS A 33 -6.135 0.108 14.198 1.00 8.86 H new ATOM 0 HZ2 LYS A 33 -4.837 0.935 13.483 1.00 8.86 H new ATOM 0 HZ3 LYS A 33 -5.549 -0.381 12.682 1.00 8.86 H new ATOM 491 N GLY A 34 0.088 2.767 13.060 1.00 7.92 N ATOM 492 CA GLY A 34 0.532 3.555 14.162 1.00 8.28 C ATOM 493 C GLY A 34 1.536 4.550 13.701 1.00 8.23 C ATOM 494 O GLY A 34 1.164 5.577 13.149 1.00 8.16 O ATOM 0 H GLY A 34 -0.397 3.293 12.333 1.00 7.92 H new ATOM 0 HA2 GLY A 34 -0.315 4.066 14.620 1.00 8.28 H new ATOM 0 HA3 GLY A 34 0.968 2.913 14.927 1.00 8.28 H new ATOM 498 N SER A 35 2.814 4.218 13.882 1.00 8.52 N ATOM 499 CA SER A 35 3.936 5.066 13.462 1.00 8.67 C ATOM 500 C SER A 35 3.887 6.459 14.135 1.00 8.96 C ATOM 501 O SER A 35 3.124 6.680 15.085 1.00 9.53 O ATOM 502 CB SER A 35 3.951 5.179 11.928 1.00 8.87 C ATOM 503 OG SER A 35 4.021 3.880 11.335 1.00 8.86 O ATOM 0 H SER A 35 3.105 3.348 14.327 1.00 8.52 H new ATOM 0 HA SER A 35 4.865 4.599 13.788 1.00 8.67 H new ATOM 0 HB2 SER A 35 3.054 5.694 11.586 1.00 8.87 H new ATOM 0 HB3 SER A 35 4.804 5.778 11.609 1.00 8.87 H new ATOM 0 HG SER A 35 3.115 3.555 11.150 1.00 8.86 H new ATOM 509 N GLN A 36 4.743 7.358 13.685 1.00 8.75 N ATOM 510 CA GLN A 36 4.765 8.724 14.166 1.00 9.17 C ATOM 511 C GLN A 36 5.510 9.593 13.180 1.00 8.70 C ATOM 512 O GLN A 36 6.563 9.202 12.693 1.00 8.58 O ATOM 513 CB GLN A 36 5.392 8.821 15.583 1.00 10.09 C ATOM 514 CG GLN A 36 6.803 8.245 15.692 1.00 10.66 C ATOM 515 CD GLN A 36 7.411 8.391 17.081 1.00 11.45 C ATOM 516 OE1 GLN A 36 7.071 9.452 17.787 1.00 11.91 O flip ATOM 517 NE2 GLN A 36 8.205 7.567 17.501 1.00 11.81 N flip ATOM 0 H GLN A 36 5.445 7.159 12.972 1.00 8.75 H new ATOM 0 HA GLN A 36 3.738 9.080 14.250 1.00 9.17 H new ATOM 0 HB2 GLN A 36 5.416 9.868 15.885 1.00 10.09 H new ATOM 0 HB3 GLN A 36 4.745 8.301 16.289 1.00 10.09 H new ATOM 0 HG2 GLN A 36 6.778 7.189 15.424 1.00 10.66 H new ATOM 0 HG3 GLN A 36 7.447 8.743 14.967 1.00 10.66 H new ATOM 0 HE21 GLN A 36 8.448 6.757 16.931 1.00 11.81 H new ATOM 0 HE22 GLN A 36 8.626 7.688 18.422 1.00 11.81 H new ATOM 526 N LEU A 37 4.922 10.752 12.859 1.00 8.63 N ATOM 527 CA LEU A 37 5.523 11.749 11.937 1.00 8.33 C ATOM 528 C LEU A 37 5.612 11.228 10.496 1.00 7.59 C ATOM 529 O LEU A 37 6.290 11.831 9.649 1.00 7.53 O ATOM 530 CB LEU A 37 6.915 12.206 12.429 1.00 8.94 C ATOM 531 CG LEU A 37 6.964 12.909 13.792 1.00 9.62 C ATOM 532 CD1 LEU A 37 8.401 13.263 14.148 1.00 10.08 C ATOM 533 CD2 LEU A 37 6.101 14.171 13.785 1.00 9.94 C ATOM 0 H LEU A 37 4.014 11.034 13.227 1.00 8.63 H new ATOM 0 HA LEU A 37 4.855 12.611 11.937 1.00 8.33 H new ATOM 0 HB2 LEU A 37 7.565 11.332 12.473 1.00 8.94 H new ATOM 0 HB3 LEU A 37 7.336 12.880 11.683 1.00 8.94 H new ATOM 0 HG LEU A 37 6.568 12.225 14.543 1.00 9.62 H new ATOM 0 HD11 LEU A 37 8.424 13.761 15.117 1.00 10.08 H new ATOM 0 HD12 LEU A 37 8.999 12.353 14.194 1.00 10.08 H new ATOM 0 HD13 LEU A 37 8.811 13.929 13.388 1.00 10.08 H new ATOM 0 HD21 LEU A 37 6.152 14.652 14.762 1.00 9.94 H new ATOM 0 HD22 LEU A 37 6.468 14.858 13.023 1.00 9.94 H new ATOM 0 HD23 LEU A 37 5.067 13.904 13.565 1.00 9.94 H new ATOM 545 N GLU A 38 4.913 10.149 10.219 1.00 7.28 N ATOM 546 CA GLU A 38 4.908 9.544 8.911 1.00 6.85 C ATOM 547 C GLU A 38 3.515 8.979 8.648 1.00 6.29 C ATOM 548 O GLU A 38 2.824 8.577 9.598 1.00 6.53 O ATOM 549 CB GLU A 38 5.986 8.441 8.837 1.00 7.02 C ATOM 550 CG GLU A 38 6.063 7.689 7.506 1.00 7.23 C ATOM 551 CD GLU A 38 6.336 8.590 6.320 1.00 7.58 C ATOM 552 OE1 GLU A 38 5.364 9.161 5.748 1.00 7.82 O ATOM 553 OE2 GLU A 38 7.502 8.729 5.943 1.00 7.86 O ATOM 0 H GLU A 38 4.329 9.666 10.902 1.00 7.28 H new ATOM 0 HA GLU A 38 5.143 10.284 8.146 1.00 6.85 H new ATOM 0 HB2 GLU A 38 6.958 8.892 9.037 1.00 7.02 H new ATOM 0 HB3 GLU A 38 5.799 7.720 9.633 1.00 7.02 H new ATOM 0 HG2 GLU A 38 6.848 6.935 7.568 1.00 7.23 H new ATOM 0 HG3 GLU A 38 5.125 7.159 7.342 1.00 7.23 H new ATOM 560 N ALA A 39 3.120 8.974 7.372 1.00 5.86 N ATOM 561 CA ALA A 39 1.823 8.490 6.904 1.00 5.57 C ATOM 562 C ALA A 39 0.630 9.126 7.642 1.00 5.31 C ATOM 563 O ALA A 39 -0.021 8.507 8.491 1.00 5.56 O ATOM 564 CB ALA A 39 1.747 6.963 6.886 1.00 5.92 C ATOM 0 H ALA A 39 3.713 9.317 6.616 1.00 5.86 H new ATOM 0 HA ALA A 39 1.740 8.824 5.870 1.00 5.57 H new ATOM 0 HB1 ALA A 39 0.764 6.652 6.531 1.00 5.92 H new ATOM 0 HB2 ALA A 39 2.515 6.568 6.221 1.00 5.92 H new ATOM 0 HB3 ALA A 39 1.907 6.579 7.893 1.00 5.92 H new ATOM 570 N ASN A 40 0.374 10.375 7.342 1.00 5.21 N ATOM 571 CA ASN A 40 -0.707 11.093 7.980 1.00 5.30 C ATOM 572 C ASN A 40 -2.015 10.900 7.239 1.00 4.90 C ATOM 573 O ASN A 40 -2.266 11.546 6.222 1.00 4.87 O ATOM 574 CB ASN A 40 -0.377 12.588 8.136 1.00 5.95 C ATOM 575 CG ASN A 40 0.809 12.855 9.061 1.00 6.36 C ATOM 576 OD1 ASN A 40 1.953 12.870 8.625 1.00 6.54 O ATOM 577 ND2 ASN A 40 0.545 13.089 10.326 1.00 6.88 N ATOM 0 H ASN A 40 0.900 10.919 6.658 1.00 5.21 H new ATOM 0 HA ASN A 40 -0.826 10.674 8.979 1.00 5.30 H new ATOM 0 HB2 ASN A 40 -0.164 13.010 7.154 1.00 5.95 H new ATOM 0 HB3 ASN A 40 -1.254 13.107 8.523 1.00 5.95 H new ATOM 0 HD21 ASN A 40 1.304 13.291 10.977 1.00 6.88 H new ATOM 0 HD22 ASN A 40 -0.419 13.069 10.658 1.00 6.88 H new ATOM 584 N LYS A 41 -2.836 9.979 7.758 1.00 4.91 N ATOM 585 CA LYS A 41 -4.162 9.651 7.209 1.00 4.79 C ATOM 586 C LYS A 41 -5.042 10.878 7.141 1.00 5.11 C ATOM 587 O LYS A 41 -5.794 11.056 6.179 1.00 5.52 O ATOM 588 CB LYS A 41 -4.889 8.494 7.983 1.00 5.30 C ATOM 589 CG LYS A 41 -5.168 8.705 9.490 1.00 6.03 C ATOM 590 CD LYS A 41 -3.900 8.672 10.319 1.00 6.55 C ATOM 591 CE LYS A 41 -4.177 8.900 11.816 1.00 7.33 C ATOM 592 NZ LYS A 41 -5.058 7.865 12.416 1.00 7.95 N ATOM 0 H LYS A 41 -2.596 9.431 8.584 1.00 4.91 H new ATOM 0 HA LYS A 41 -3.984 9.284 6.198 1.00 4.79 H new ATOM 0 HB2 LYS A 41 -5.842 8.306 7.488 1.00 5.30 H new ATOM 0 HB3 LYS A 41 -4.290 7.590 7.876 1.00 5.30 H new ATOM 0 HG2 LYS A 41 -5.669 9.662 9.634 1.00 6.03 H new ATOM 0 HG3 LYS A 41 -5.850 7.932 9.843 1.00 6.03 H new ATOM 0 HD2 LYS A 41 -3.406 7.710 10.185 1.00 6.55 H new ATOM 0 HD3 LYS A 41 -3.212 9.437 9.958 1.00 6.55 H new ATOM 0 HE2 LYS A 41 -3.230 8.917 12.355 1.00 7.33 H new ATOM 0 HE3 LYS A 41 -4.637 9.879 11.948 1.00 7.33 H new ATOM 0 HZ1 LYS A 41 -5.110 8.007 13.445 1.00 7.95 H new ATOM 0 HZ2 LYS A 41 -6.011 7.942 12.008 1.00 7.95 H new ATOM 0 HZ3 LYS A 41 -4.670 6.921 12.216 1.00 7.95 H new ATOM 606 N LYS A 42 -4.928 11.727 8.166 1.00 5.29 N ATOM 607 CA LYS A 42 -5.633 13.003 8.242 1.00 6.01 C ATOM 608 C LYS A 42 -7.179 12.863 8.256 1.00 6.11 C ATOM 609 O LYS A 42 -7.781 12.809 9.318 1.00 6.74 O ATOM 610 CB LYS A 42 -5.161 13.954 7.134 1.00 6.24 C ATOM 611 CG LYS A 42 -3.726 14.450 7.257 1.00 6.53 C ATOM 612 CD LYS A 42 -3.364 15.446 6.136 1.00 7.13 C ATOM 613 CE LYS A 42 -3.398 14.825 4.742 1.00 7.68 C ATOM 614 NZ LYS A 42 -2.380 13.759 4.574 1.00 8.17 N ATOM 0 H LYS A 42 -4.335 11.542 8.975 1.00 5.29 H new ATOM 0 HA LYS A 42 -5.374 13.438 9.207 1.00 6.01 H new ATOM 0 HB2 LYS A 42 -5.270 13.448 6.175 1.00 6.24 H new ATOM 0 HB3 LYS A 42 -5.825 14.819 7.115 1.00 6.24 H new ATOM 0 HG2 LYS A 42 -3.589 14.929 8.226 1.00 6.53 H new ATOM 0 HG3 LYS A 42 -3.044 13.600 7.222 1.00 6.53 H new ATOM 0 HD2 LYS A 42 -4.057 16.287 6.169 1.00 7.13 H new ATOM 0 HD3 LYS A 42 -2.368 15.847 6.323 1.00 7.13 H new ATOM 0 HE2 LYS A 42 -4.389 14.410 4.556 1.00 7.68 H new ATOM 0 HE3 LYS A 42 -3.233 15.603 3.996 1.00 7.68 H new ATOM 0 HZ1 LYS A 42 -2.396 13.415 3.593 1.00 8.17 H new ATOM 0 HZ2 LYS A 42 -1.438 14.142 4.791 1.00 8.17 H new ATOM 0 HZ3 LYS A 42 -2.592 12.972 5.220 1.00 8.17 H new ATOM 628 N ALA A 43 -7.782 12.719 7.076 1.00 5.71 N ATOM 629 CA ALA A 43 -9.254 12.696 6.917 1.00 5.93 C ATOM 630 C ALA A 43 -9.853 11.295 7.144 1.00 5.58 C ATOM 631 O ALA A 43 -10.906 10.976 6.614 1.00 5.78 O ATOM 632 CB ALA A 43 -9.609 13.204 5.520 1.00 5.86 C ATOM 0 H ALA A 43 -7.273 12.614 6.198 1.00 5.71 H new ATOM 0 HA ALA A 43 -9.685 13.345 7.679 1.00 5.93 H new ATOM 0 HB1 ALA A 43 -10.691 13.191 5.392 1.00 5.86 H new ATOM 0 HB2 ALA A 43 -9.241 14.223 5.399 1.00 5.86 H new ATOM 0 HB3 ALA A 43 -9.148 12.561 4.771 1.00 5.86 H new ATOM 638 N MET A 44 -9.174 10.485 7.960 1.00 5.27 N ATOM 639 CA MET A 44 -9.604 9.098 8.321 1.00 5.14 C ATOM 640 C MET A 44 -9.489 8.107 7.156 1.00 4.41 C ATOM 641 O MET A 44 -9.826 6.951 7.304 1.00 4.57 O ATOM 642 CB MET A 44 -11.014 9.042 8.958 1.00 5.83 C ATOM 643 CG MET A 44 -11.148 9.825 10.264 1.00 6.40 C ATOM 644 SD MET A 44 -12.788 9.682 11.020 1.00 6.97 S ATOM 645 CE MET A 44 -13.825 10.376 9.725 1.00 7.62 C ATOM 0 H MET A 44 -8.298 10.761 8.403 1.00 5.27 H new ATOM 0 HA MET A 44 -8.894 8.781 9.085 1.00 5.14 H new ATOM 0 HB2 MET A 44 -11.739 9.428 8.241 1.00 5.83 H new ATOM 0 HB3 MET A 44 -11.274 8.000 9.145 1.00 5.83 H new ATOM 0 HG2 MET A 44 -10.398 9.471 10.971 1.00 6.40 H new ATOM 0 HG3 MET A 44 -10.934 10.877 10.073 1.00 6.40 H new ATOM 0 HE1 MET A 44 -14.613 10.980 10.175 1.00 7.62 H new ATOM 0 HE2 MET A 44 -13.219 11.000 9.069 1.00 7.62 H new ATOM 0 HE3 MET A 44 -14.273 9.569 9.146 1.00 7.62 H new ATOM 655 N SER A 45 -9.004 8.587 6.022 1.00 3.91 N ATOM 656 CA SER A 45 -8.753 7.790 4.843 1.00 3.31 C ATOM 657 C SER A 45 -9.949 6.914 4.354 1.00 3.15 C ATOM 658 O SER A 45 -10.781 7.389 3.594 1.00 3.30 O ATOM 659 CB SER A 45 -7.471 7.001 4.996 1.00 3.27 C ATOM 660 OG SER A 45 -6.351 7.865 5.113 1.00 3.82 O ATOM 0 H SER A 45 -8.769 9.572 5.898 1.00 3.91 H new ATOM 0 HA SER A 45 -8.628 8.505 4.030 1.00 3.31 H new ATOM 0 HB2 SER A 45 -7.536 6.363 5.877 1.00 3.27 H new ATOM 0 HB3 SER A 45 -7.340 6.344 4.136 1.00 3.27 H new ATOM 0 HG SER A 45 -5.988 8.053 4.222 1.00 3.82 H new ATOM 666 N ILE A 46 -10.022 5.664 4.808 1.00 3.06 N ATOM 667 CA ILE A 46 -11.068 4.735 4.371 1.00 2.90 C ATOM 668 C ILE A 46 -11.679 4.069 5.596 1.00 3.39 C ATOM 669 O ILE A 46 -10.963 3.643 6.468 1.00 3.76 O ATOM 670 CB ILE A 46 -10.463 3.629 3.430 1.00 2.48 C ATOM 671 CG1 ILE A 46 -9.789 4.261 2.195 1.00 2.40 C ATOM 672 CG2 ILE A 46 -11.539 2.630 3.000 1.00 2.38 C ATOM 673 CD1 ILE A 46 -9.136 3.262 1.251 1.00 2.53 C ATOM 0 H ILE A 46 -9.367 5.268 5.482 1.00 3.06 H new ATOM 0 HA ILE A 46 -11.829 5.288 3.820 1.00 2.90 H new ATOM 0 HB ILE A 46 -9.702 3.091 3.995 1.00 2.48 H new ATOM 0 HG12 ILE A 46 -10.535 4.830 1.641 1.00 2.40 H new ATOM 0 HG13 ILE A 46 -9.033 4.970 2.533 1.00 2.40 H new ATOM 0 HG21 ILE A 46 -11.096 1.875 2.350 1.00 2.38 H new ATOM 0 HG22 ILE A 46 -11.961 2.147 3.882 1.00 2.38 H new ATOM 0 HG23 ILE A 46 -12.328 3.155 2.461 1.00 2.38 H new ATOM 0 HD11 ILE A 46 -8.688 3.794 0.412 1.00 2.53 H new ATOM 0 HD12 ILE A 46 -8.363 2.709 1.785 1.00 2.53 H new ATOM 0 HD13 ILE A 46 -9.889 2.567 0.879 1.00 2.53 H new ATOM 685 N GLN A 47 -12.992 4.004 5.650 1.00 3.62 N ATOM 686 CA GLN A 47 -13.693 3.407 6.785 1.00 4.26 C ATOM 687 C GLN A 47 -14.148 1.984 6.438 1.00 4.05 C ATOM 688 O GLN A 47 -14.591 1.718 5.327 1.00 3.59 O ATOM 689 CB GLN A 47 -14.908 4.274 7.151 1.00 4.89 C ATOM 690 CG GLN A 47 -15.751 3.795 8.346 1.00 5.73 C ATOM 691 CD GLN A 47 -16.982 4.668 8.521 1.00 6.34 C ATOM 692 OE1 GLN A 47 -16.844 5.732 9.270 1.00 6.66 O flip ATOM 693 NE2 GLN A 47 -18.034 4.399 7.950 1.00 6.79 N flip ATOM 0 H GLN A 47 -13.607 4.359 4.918 1.00 3.62 H new ATOM 0 HA GLN A 47 -13.016 3.357 7.637 1.00 4.26 H new ATOM 0 HB2 GLN A 47 -14.557 5.284 7.363 1.00 4.89 H new ATOM 0 HB3 GLN A 47 -15.558 4.339 6.278 1.00 4.89 H new ATOM 0 HG2 GLN A 47 -16.053 2.759 8.192 1.00 5.73 H new ATOM 0 HG3 GLN A 47 -15.150 3.820 9.255 1.00 5.73 H new ATOM 0 HE21 GLN A 47 -18.102 3.560 7.375 1.00 6.79 H new ATOM 0 HE22 GLN A 47 -18.841 5.015 8.051 1.00 6.79 H new ATOM 702 N CYS A 48 -14.000 1.090 7.390 1.00 4.51 N ATOM 703 CA CYS A 48 -14.413 -0.287 7.238 1.00 4.51 C ATOM 704 C CYS A 48 -15.934 -0.431 7.402 1.00 4.78 C ATOM 705 O CYS A 48 -16.554 0.229 8.257 1.00 5.43 O ATOM 706 CB CYS A 48 -13.700 -1.156 8.248 1.00 5.18 C ATOM 707 SG CYS A 48 -13.962 -2.922 8.055 1.00 5.33 S ATOM 0 H CYS A 48 -13.586 1.300 8.298 1.00 4.51 H new ATOM 0 HA CYS A 48 -14.147 -0.611 6.232 1.00 4.51 H new ATOM 0 HB2 CYS A 48 -12.631 -0.954 8.187 1.00 5.18 H new ATOM 0 HB3 CYS A 48 -14.023 -0.864 9.247 1.00 5.18 H new ATOM 0 HG CYS A 48 -14.672 -3.141 6.988 1.00 5.33 H new ATOM 713 N LYS A 49 -16.496 -1.349 6.607 1.00 4.37 N ATOM 714 CA LYS A 49 -17.933 -1.611 6.472 1.00 4.60 C ATOM 715 C LYS A 49 -18.591 -1.959 7.800 1.00 5.45 C ATOM 716 O LYS A 49 -19.723 -1.563 8.065 1.00 5.91 O ATOM 717 CB LYS A 49 -18.064 -2.783 5.482 1.00 4.03 C ATOM 718 CG LYS A 49 -19.472 -3.126 4.943 1.00 4.13 C ATOM 719 CD LYS A 49 -20.428 -3.770 5.966 1.00 4.80 C ATOM 720 CE LYS A 49 -19.900 -5.094 6.504 1.00 5.08 C ATOM 721 NZ LYS A 49 -20.905 -5.770 7.348 1.00 5.64 N ATOM 0 H LYS A 49 -15.934 -1.958 6.012 1.00 4.37 H new ATOM 0 HA LYS A 49 -18.443 -0.716 6.117 1.00 4.60 H new ATOM 0 HB2 LYS A 49 -17.422 -2.571 4.627 1.00 4.03 H new ATOM 0 HB3 LYS A 49 -17.666 -3.675 5.966 1.00 4.03 H new ATOM 0 HG2 LYS A 49 -19.931 -2.212 4.566 1.00 4.13 H new ATOM 0 HG3 LYS A 49 -19.364 -3.802 4.095 1.00 4.13 H new ATOM 0 HD2 LYS A 49 -20.585 -3.081 6.796 1.00 4.80 H new ATOM 0 HD3 LYS A 49 -21.399 -3.933 5.499 1.00 4.80 H new ATOM 0 HE2 LYS A 49 -19.625 -5.743 5.673 1.00 5.08 H new ATOM 0 HE3 LYS A 49 -18.994 -4.918 7.084 1.00 5.08 H new ATOM 0 HZ1 LYS A 49 -20.516 -6.668 7.699 1.00 5.64 H new ATOM 0 HZ2 LYS A 49 -21.149 -5.160 8.154 1.00 5.64 H new ATOM 0 HZ3 LYS A 49 -21.760 -5.959 6.786 1.00 5.64 H new ATOM 735 N VAL A 50 -17.881 -2.724 8.605 1.00 5.76 N ATOM 736 CA VAL A 50 -18.386 -3.227 9.894 1.00 6.62 C ATOM 737 C VAL A 50 -19.026 -2.157 10.797 1.00 7.31 C ATOM 738 O VAL A 50 -20.158 -2.331 11.260 1.00 7.94 O ATOM 739 CB VAL A 50 -17.285 -4.021 10.685 1.00 6.99 C ATOM 740 CG1 VAL A 50 -15.979 -3.266 10.670 1.00 6.73 C ATOM 741 CG2 VAL A 50 -17.714 -4.250 12.143 1.00 7.56 C ATOM 0 H VAL A 50 -16.929 -3.024 8.393 1.00 5.76 H new ATOM 0 HA VAL A 50 -19.191 -3.908 9.618 1.00 6.62 H new ATOM 0 HB VAL A 50 -17.156 -4.986 10.195 1.00 6.99 H new ATOM 0 HG11 VAL A 50 -15.227 -3.829 11.222 1.00 6.73 H new ATOM 0 HG12 VAL A 50 -15.648 -3.132 9.640 1.00 6.73 H new ATOM 0 HG13 VAL A 50 -16.117 -2.291 11.137 1.00 6.73 H new ATOM 0 HG21 VAL A 50 -16.935 -4.802 12.669 1.00 7.56 H new ATOM 0 HG22 VAL A 50 -17.871 -3.288 12.632 1.00 7.56 H new ATOM 0 HG23 VAL A 50 -18.641 -4.823 12.164 1.00 7.56 H new ATOM 751 N CYS A 51 -18.327 -1.073 11.023 1.00 7.22 N ATOM 752 CA CYS A 51 -18.774 -0.084 11.968 1.00 7.91 C ATOM 753 C CYS A 51 -18.224 1.288 11.631 1.00 7.66 C ATOM 754 O CYS A 51 -18.969 2.163 11.225 1.00 7.62 O ATOM 755 CB CYS A 51 -18.386 -0.492 13.416 1.00 8.65 C ATOM 756 SG CYS A 51 -19.212 -1.967 14.054 1.00 9.28 S ATOM 0 H CYS A 51 -17.443 -0.854 10.563 1.00 7.22 H new ATOM 0 HA CYS A 51 -19.861 -0.031 11.906 1.00 7.91 H new ATOM 0 HB2 CYS A 51 -17.309 -0.655 13.453 1.00 8.65 H new ATOM 0 HB3 CYS A 51 -18.605 0.343 14.082 1.00 8.65 H new ATOM 0 HG CYS A 51 -19.937 -2.499 13.115 1.00 9.28 H new ATOM 762 N MET A 52 -16.905 1.468 11.765 1.00 7.53 N ATOM 763 CA MET A 52 -16.314 2.801 11.544 1.00 7.36 C ATOM 764 C MET A 52 -14.788 2.709 11.633 1.00 7.19 C ATOM 765 O MET A 52 -14.121 3.632 12.091 1.00 7.51 O ATOM 766 CB MET A 52 -16.774 3.731 12.663 1.00 8.14 C ATOM 767 CG MET A 52 -16.568 5.211 12.385 1.00 8.25 C ATOM 768 SD MET A 52 -17.061 6.284 13.762 1.00 9.18 S ATOM 769 CE MET A 52 -15.932 5.746 15.042 1.00 9.44 C ATOM 0 H MET A 52 -16.241 0.736 12.017 1.00 7.53 H new ATOM 0 HA MET A 52 -16.620 3.170 10.565 1.00 7.36 H new ATOM 0 HB2 MET A 52 -17.833 3.555 12.851 1.00 8.14 H new ATOM 0 HB3 MET A 52 -16.240 3.469 13.577 1.00 8.14 H new ATOM 0 HG2 MET A 52 -15.517 5.386 12.157 1.00 8.25 H new ATOM 0 HG3 MET A 52 -17.137 5.488 11.498 1.00 8.25 H new ATOM 0 HE1 MET A 52 -15.857 6.517 15.809 1.00 9.44 H new ATOM 0 HE2 MET A 52 -16.303 4.824 15.490 1.00 9.44 H new ATOM 0 HE3 MET A 52 -14.948 5.569 14.608 1.00 9.44 H new ATOM 779 N GLN A 53 -14.228 1.618 11.176 1.00 6.77 N ATOM 780 CA GLN A 53 -12.770 1.424 11.352 1.00 6.78 C ATOM 781 C GLN A 53 -12.061 2.056 10.199 1.00 5.99 C ATOM 782 O GLN A 53 -12.715 2.574 9.318 1.00 5.51 O ATOM 783 CB GLN A 53 -12.421 -0.054 11.455 1.00 7.00 C ATOM 784 CG GLN A 53 -13.335 -0.809 12.395 1.00 7.73 C ATOM 785 CD GLN A 53 -13.429 -0.183 13.792 1.00 8.54 C ATOM 786 OE1 GLN A 53 -14.395 0.700 13.959 1.00 9.11 O flip ATOM 787 NE2 GLN A 53 -12.665 -0.506 14.687 1.00 8.65 N flip ATOM 0 H GLN A 53 -14.717 0.864 10.694 1.00 6.77 H new ATOM 0 HA GLN A 53 -12.453 1.895 12.282 1.00 6.78 H new ATOM 0 HB2 GLN A 53 -12.474 -0.505 10.464 1.00 7.00 H new ATOM 0 HB3 GLN A 53 -11.391 -0.156 11.797 1.00 7.00 H new ATOM 0 HG2 GLN A 53 -14.333 -0.856 11.959 1.00 7.73 H new ATOM 0 HG3 GLN A 53 -12.979 -1.835 12.489 1.00 7.73 H new ATOM 0 HE21 GLN A 53 -11.933 -1.194 14.509 1.00 8.65 H new ATOM 0 HE22 GLN A 53 -12.758 -0.088 15.613 1.00 8.65 H new ATOM 796 N THR A 54 -10.763 2.017 10.157 1.00 5.92 N ATOM 797 CA THR A 54 -10.092 2.710 9.100 1.00 5.23 C ATOM 798 C THR A 54 -8.928 1.934 8.492 1.00 5.04 C ATOM 799 O THR A 54 -8.311 1.059 9.134 1.00 5.63 O ATOM 800 CB THR A 54 -9.632 4.129 9.543 1.00 5.45 C ATOM 801 OG1 THR A 54 -8.944 4.799 8.494 1.00 4.93 O ATOM 802 CG2 THR A 54 -8.721 4.034 10.720 1.00 5.93 C ATOM 0 H THR A 54 -10.162 1.528 10.821 1.00 5.92 H new ATOM 0 HA THR A 54 -10.837 2.812 8.311 1.00 5.23 H new ATOM 0 HB THR A 54 -10.527 4.694 9.804 1.00 5.45 H new ATOM 0 HG1 THR A 54 -9.450 5.594 8.227 1.00 4.93 H new ATOM 0 HG21 THR A 54 -8.407 5.034 11.019 1.00 5.93 H new ATOM 0 HG22 THR A 54 -9.245 3.555 11.548 1.00 5.93 H new ATOM 0 HG23 THR A 54 -7.844 3.443 10.455 1.00 5.93 H new ATOM 810 N PHE A 55 -8.661 2.265 7.261 1.00 4.34 N ATOM 811 CA PHE A 55 -7.585 1.768 6.499 1.00 4.27 C ATOM 812 C PHE A 55 -6.942 2.975 5.855 1.00 3.93 C ATOM 813 O PHE A 55 -7.624 3.979 5.608 1.00 3.54 O ATOM 814 CB PHE A 55 -8.070 0.805 5.407 1.00 3.91 C ATOM 815 CG PHE A 55 -8.771 -0.428 5.921 1.00 4.29 C ATOM 816 CD1 PHE A 55 -8.034 -1.531 6.304 1.00 4.24 C ATOM 817 CD2 PHE A 55 -10.160 -0.497 5.996 1.00 4.83 C ATOM 818 CE1 PHE A 55 -8.657 -2.685 6.764 1.00 4.63 C ATOM 819 CE2 PHE A 55 -10.779 -1.643 6.459 1.00 5.27 C ATOM 820 CZ PHE A 55 -10.033 -2.739 6.827 1.00 5.13 C ATOM 0 H PHE A 55 -9.234 2.932 6.744 1.00 4.34 H new ATOM 0 HA PHE A 55 -6.892 1.213 7.131 1.00 4.27 H new ATOM 0 HB2 PHE A 55 -8.748 1.342 4.743 1.00 3.91 H new ATOM 0 HB3 PHE A 55 -7.214 0.496 4.807 1.00 3.91 H new ATOM 0 HD1 PHE A 55 -6.956 -1.496 6.245 1.00 4.24 H new ATOM 0 HD2 PHE A 55 -10.757 0.350 5.691 1.00 4.83 H new ATOM 0 HE1 PHE A 55 -8.066 -3.535 7.071 1.00 4.63 H new ATOM 0 HE2 PHE A 55 -11.856 -1.678 6.532 1.00 5.27 H new ATOM 0 HZ PHE A 55 -10.524 -3.640 7.164 1.00 5.13 H new ATOM 830 N ILE A 56 -5.672 2.909 5.585 1.00 4.24 N ATOM 831 CA ILE A 56 -4.973 4.040 5.017 1.00 4.10 C ATOM 832 C ILE A 56 -5.329 4.167 3.534 1.00 3.68 C ATOM 833 O ILE A 56 -5.568 3.155 2.871 1.00 3.75 O ATOM 834 CB ILE A 56 -3.426 3.893 5.203 1.00 4.78 C ATOM 835 CG1 ILE A 56 -2.670 5.173 4.819 1.00 4.73 C ATOM 836 CG2 ILE A 56 -2.869 2.681 4.446 1.00 5.23 C ATOM 837 CD1 ILE A 56 -3.009 6.383 5.685 1.00 4.53 C ATOM 0 H ILE A 56 -5.092 2.086 5.747 1.00 4.24 H new ATOM 0 HA ILE A 56 -5.284 4.945 5.539 1.00 4.10 H new ATOM 0 HB ILE A 56 -3.262 3.724 6.267 1.00 4.78 H new ATOM 0 HG12 ILE A 56 -1.599 4.982 4.884 1.00 4.73 H new ATOM 0 HG13 ILE A 56 -2.889 5.412 3.778 1.00 4.73 H new ATOM 0 HG21 ILE A 56 -1.792 2.617 4.603 1.00 5.23 H new ATOM 0 HG22 ILE A 56 -3.344 1.772 4.815 1.00 5.23 H new ATOM 0 HG23 ILE A 56 -3.075 2.791 3.381 1.00 5.23 H new ATOM 0 HD11 ILE A 56 -2.433 7.245 5.348 1.00 4.53 H new ATOM 0 HD12 ILE A 56 -4.073 6.603 5.602 1.00 4.53 H new ATOM 0 HD13 ILE A 56 -2.763 6.167 6.725 1.00 4.53 H new ATOM 849 N CYS A 57 -5.392 5.380 3.019 1.00 3.44 N ATOM 850 CA CYS A 57 -5.712 5.565 1.626 1.00 3.38 C ATOM 851 C CYS A 57 -4.507 5.251 0.743 1.00 3.93 C ATOM 852 O CYS A 57 -3.820 6.136 0.247 1.00 4.21 O ATOM 853 CB CYS A 57 -6.295 6.970 1.335 1.00 3.28 C ATOM 854 SG CYS A 57 -6.852 7.224 -0.379 1.00 4.03 S ATOM 0 H CYS A 57 -5.227 6.240 3.542 1.00 3.44 H new ATOM 0 HA CYS A 57 -6.500 4.854 1.378 1.00 3.38 H new ATOM 0 HB2 CYS A 57 -7.136 7.145 2.005 1.00 3.28 H new ATOM 0 HB3 CYS A 57 -5.538 7.718 1.571 1.00 3.28 H new ATOM 0 HG CYS A 57 -7.147 6.076 -0.914 1.00 4.03 H new ATOM 860 N THR A 58 -4.208 3.976 0.641 1.00 4.31 N ATOM 861 CA THR A 58 -3.167 3.506 -0.249 1.00 5.03 C ATOM 862 C THR A 58 -3.734 3.311 -1.673 1.00 5.13 C ATOM 863 O THR A 58 -3.013 2.965 -2.603 1.00 5.79 O ATOM 864 CB THR A 58 -2.513 2.181 0.286 1.00 5.61 C ATOM 865 OG1 THR A 58 -1.432 1.756 -0.562 1.00 6.01 O ATOM 866 CG2 THR A 58 -3.541 1.063 0.399 1.00 5.89 C ATOM 0 H THR A 58 -4.675 3.238 1.168 1.00 4.31 H new ATOM 0 HA THR A 58 -2.382 4.261 -0.288 1.00 5.03 H new ATOM 0 HB THR A 58 -2.119 2.397 1.279 1.00 5.61 H new ATOM 0 HG1 THR A 58 -1.538 2.154 -1.451 1.00 6.01 H new ATOM 0 HG21 THR A 58 -3.057 0.160 0.772 1.00 5.89 H new ATOM 0 HG22 THR A 58 -4.330 1.363 1.088 1.00 5.89 H new ATOM 0 HG23 THR A 58 -3.972 0.865 -0.582 1.00 5.89 H new ATOM 874 N THR A 59 -5.033 3.533 -1.807 1.00 4.66 N ATOM 875 CA THR A 59 -5.754 3.467 -3.061 1.00 4.98 C ATOM 876 C THR A 59 -7.038 4.242 -2.866 1.00 4.60 C ATOM 877 O THR A 59 -7.636 4.180 -1.789 1.00 4.34 O ATOM 878 CB THR A 59 -6.080 1.980 -3.478 1.00 5.47 C ATOM 879 OG1 THR A 59 -4.863 1.226 -3.635 1.00 6.19 O ATOM 880 CG2 THR A 59 -6.881 1.934 -4.796 1.00 5.90 C ATOM 0 H THR A 59 -5.631 3.772 -1.016 1.00 4.66 H new ATOM 0 HA THR A 59 -5.144 3.887 -3.861 1.00 4.98 H new ATOM 0 HB THR A 59 -6.684 1.539 -2.685 1.00 5.47 H new ATOM 0 HG1 THR A 59 -4.095 1.795 -3.418 1.00 6.19 H new ATOM 0 HG21 THR A 59 -7.091 0.897 -5.058 1.00 5.90 H new ATOM 0 HG22 THR A 59 -7.820 2.474 -4.670 1.00 5.90 H new ATOM 0 HG23 THR A 59 -6.299 2.399 -5.592 1.00 5.90 H new ATOM 888 N SER A 60 -7.449 4.993 -3.861 1.00 4.93 N ATOM 889 CA SER A 60 -8.649 5.746 -3.763 1.00 5.08 C ATOM 890 C SER A 60 -9.845 4.814 -3.914 1.00 4.91 C ATOM 891 O SER A 60 -9.817 3.879 -4.744 1.00 5.44 O ATOM 892 CB SER A 60 -8.653 6.852 -4.829 1.00 5.82 C ATOM 893 OG SER A 60 -8.411 6.309 -6.123 1.00 6.47 O ATOM 0 H SER A 60 -6.956 5.090 -4.749 1.00 4.93 H new ATOM 0 HA SER A 60 -8.714 6.224 -2.786 1.00 5.08 H new ATOM 0 HB2 SER A 60 -9.613 7.368 -4.820 1.00 5.82 H new ATOM 0 HB3 SER A 60 -7.890 7.594 -4.593 1.00 5.82 H new ATOM 0 HG SER A 60 -8.419 7.030 -6.787 1.00 6.47 H new ATOM 899 N GLU A 61 -10.865 5.048 -3.108 1.00 4.39 N ATOM 900 CA GLU A 61 -12.118 4.266 -3.129 1.00 4.24 C ATOM 901 C GLU A 61 -12.719 4.193 -4.533 1.00 4.81 C ATOM 902 O GLU A 61 -13.299 3.203 -4.906 1.00 4.86 O ATOM 903 CB GLU A 61 -13.133 4.859 -2.146 1.00 4.06 C ATOM 904 CG GLU A 61 -13.424 6.338 -2.364 1.00 4.21 C ATOM 905 CD GLU A 61 -14.343 6.946 -1.316 1.00 4.27 C ATOM 906 OE1 GLU A 61 -15.479 6.434 -1.131 1.00 4.60 O ATOM 907 OE2 GLU A 61 -13.919 7.892 -0.638 1.00 4.34 O ATOM 0 H GLU A 61 -10.861 5.790 -2.409 1.00 4.39 H new ATOM 0 HA GLU A 61 -11.875 3.249 -2.822 1.00 4.24 H new ATOM 0 HB2 GLU A 61 -14.066 4.301 -2.225 1.00 4.06 H new ATOM 0 HB3 GLU A 61 -12.763 4.719 -1.130 1.00 4.06 H new ATOM 0 HG2 GLU A 61 -12.482 6.887 -2.369 1.00 4.21 H new ATOM 0 HG3 GLU A 61 -13.875 6.468 -3.348 1.00 4.21 H new ATOM 914 N VAL A 62 -12.570 5.247 -5.268 1.00 5.34 N ATOM 915 CA VAL A 62 -13.034 5.331 -6.618 1.00 6.05 C ATOM 916 C VAL A 62 -12.263 4.387 -7.568 1.00 6.40 C ATOM 917 O VAL A 62 -12.872 3.755 -8.425 1.00 6.81 O ATOM 918 CB VAL A 62 -12.982 6.786 -7.117 1.00 6.66 C ATOM 919 CG1 VAL A 62 -13.388 6.879 -8.570 1.00 7.23 C ATOM 920 CG2 VAL A 62 -13.902 7.630 -6.272 1.00 7.09 C ATOM 0 H VAL A 62 -12.111 6.096 -4.939 1.00 5.34 H new ATOM 0 HA VAL A 62 -14.072 4.997 -6.624 1.00 6.05 H new ATOM 0 HB VAL A 62 -11.958 7.150 -7.031 1.00 6.66 H new ATOM 0 HG11 VAL A 62 -13.342 7.918 -8.895 1.00 7.23 H new ATOM 0 HG12 VAL A 62 -12.710 6.279 -9.176 1.00 7.23 H new ATOM 0 HG13 VAL A 62 -14.406 6.507 -8.688 1.00 7.23 H new ATOM 0 HG21 VAL A 62 -13.870 8.663 -6.620 1.00 7.09 H new ATOM 0 HG22 VAL A 62 -14.921 7.251 -6.353 1.00 7.09 H new ATOM 0 HG23 VAL A 62 -13.581 7.588 -5.231 1.00 7.09 H new ATOM 930 N LYS A 63 -10.948 4.251 -7.387 1.00 6.35 N ATOM 931 CA LYS A 63 -10.158 3.394 -8.293 1.00 6.86 C ATOM 932 C LYS A 63 -10.456 1.924 -8.001 1.00 6.61 C ATOM 933 O LYS A 63 -10.528 1.082 -8.914 1.00 7.11 O ATOM 934 CB LYS A 63 -8.640 3.773 -8.233 1.00 7.01 C ATOM 935 CG LYS A 63 -7.696 3.075 -9.238 1.00 7.83 C ATOM 936 CD LYS A 63 -7.316 1.646 -8.843 1.00 8.08 C ATOM 937 CE LYS A 63 -6.451 0.967 -9.914 1.00 8.93 C ATOM 938 NZ LYS A 63 -5.173 1.688 -10.200 1.00 9.36 N ATOM 0 H LYS A 63 -10.414 4.705 -6.646 1.00 6.35 H new ATOM 0 HA LYS A 63 -10.452 3.565 -9.329 1.00 6.86 H new ATOM 0 HB2 LYS A 63 -8.555 4.849 -8.382 1.00 7.01 H new ATOM 0 HB3 LYS A 63 -8.279 3.560 -7.227 1.00 7.01 H new ATOM 0 HG2 LYS A 63 -8.174 3.056 -10.217 1.00 7.83 H new ATOM 0 HG3 LYS A 63 -6.787 3.667 -9.339 1.00 7.83 H new ATOM 0 HD2 LYS A 63 -6.775 1.663 -7.897 1.00 8.08 H new ATOM 0 HD3 LYS A 63 -8.221 1.061 -8.683 1.00 8.08 H new ATOM 0 HE2 LYS A 63 -6.221 -0.049 -9.592 1.00 8.93 H new ATOM 0 HE3 LYS A 63 -7.027 0.886 -10.836 1.00 8.93 H new ATOM 0 HZ1 LYS A 63 -4.602 1.131 -10.868 1.00 9.36 H new ATOM 0 HZ2 LYS A 63 -5.384 2.617 -10.616 1.00 9.36 H new ATOM 0 HZ3 LYS A 63 -4.642 1.818 -9.315 1.00 9.36 H new ATOM 952 N CYS A 64 -10.660 1.627 -6.746 1.00 5.90 N ATOM 953 CA CYS A 64 -11.057 0.311 -6.353 1.00 5.63 C ATOM 954 C CYS A 64 -12.524 0.055 -6.696 1.00 5.60 C ATOM 955 O CYS A 64 -12.913 -1.071 -6.978 1.00 5.71 O ATOM 956 CB CYS A 64 -10.721 0.050 -4.881 1.00 4.97 C ATOM 957 SG CYS A 64 -11.032 1.398 -3.763 1.00 4.95 S ATOM 0 H CYS A 64 -10.556 2.288 -5.976 1.00 5.90 H new ATOM 0 HA CYS A 64 -10.481 -0.414 -6.927 1.00 5.63 H new ATOM 0 HB2 CYS A 64 -11.294 -0.815 -4.545 1.00 4.97 H new ATOM 0 HB3 CYS A 64 -9.667 -0.219 -4.811 1.00 4.97 H new ATOM 0 HG CYS A 64 -10.235 2.386 -4.042 1.00 4.95 H new ATOM 963 N ARG A 65 -13.308 1.126 -6.739 1.00 5.62 N ATOM 964 CA ARG A 65 -14.706 1.077 -7.075 1.00 5.84 C ATOM 965 C ARG A 65 -14.943 0.512 -8.456 1.00 6.60 C ATOM 966 O ARG A 65 -15.708 -0.428 -8.612 1.00 6.69 O ATOM 967 CB ARG A 65 -15.330 2.462 -6.943 1.00 5.99 C ATOM 968 CG ARG A 65 -16.708 2.591 -7.522 1.00 5.98 C ATOM 969 CD ARG A 65 -17.309 3.951 -7.209 1.00 6.32 C ATOM 970 NE ARG A 65 -18.647 4.103 -7.783 1.00 6.70 N ATOM 971 CZ ARG A 65 -19.574 4.995 -7.374 1.00 7.13 C ATOM 972 NH1 ARG A 65 -19.317 5.823 -6.349 1.00 7.25 N ATOM 973 NH2 ARG A 65 -20.746 5.058 -7.995 1.00 7.69 N ATOM 0 H ARG A 65 -12.972 2.067 -6.535 1.00 5.62 H new ATOM 0 HA ARG A 65 -15.188 0.401 -6.369 1.00 5.84 H new ATOM 0 HB2 ARG A 65 -15.369 2.728 -5.887 1.00 5.99 H new ATOM 0 HB3 ARG A 65 -14.678 3.187 -7.430 1.00 5.99 H new ATOM 0 HG2 ARG A 65 -16.667 2.448 -8.602 1.00 5.98 H new ATOM 0 HG3 ARG A 65 -17.349 1.806 -7.121 1.00 5.98 H new ATOM 0 HD2 ARG A 65 -17.360 4.085 -6.128 1.00 6.32 H new ATOM 0 HD3 ARG A 65 -16.657 4.734 -7.597 1.00 6.32 H new ATOM 0 HE ARG A 65 -18.899 3.485 -8.554 1.00 6.70 H new ATOM 0 HH11 ARG A 65 -18.416 5.781 -5.873 1.00 7.25 H new ATOM 0 HH12 ARG A 65 -20.023 6.494 -6.046 1.00 7.25 H new ATOM 0 HH21 ARG A 65 -20.943 4.434 -8.778 1.00 7.69 H new ATOM 0 HH22 ARG A 65 -21.450 5.730 -7.689 1.00 7.69 H new ATOM 987 N GLU A 66 -14.277 1.064 -9.458 1.00 7.20 N ATOM 988 CA GLU A 66 -14.469 0.588 -10.820 1.00 8.03 C ATOM 989 C GLU A 66 -13.894 -0.819 -10.995 1.00 8.03 C ATOM 990 O GLU A 66 -14.410 -1.622 -11.781 1.00 8.42 O ATOM 991 CB GLU A 66 -13.918 1.585 -11.849 1.00 8.67 C ATOM 992 CG GLU A 66 -12.441 1.891 -11.722 1.00 8.45 C ATOM 993 CD GLU A 66 -11.956 2.839 -12.810 1.00 9.17 C ATOM 994 OE1 GLU A 66 -11.752 2.392 -13.954 1.00 9.78 O ATOM 995 OE2 GLU A 66 -11.757 4.050 -12.521 1.00 9.24 O ATOM 0 H GLU A 66 -13.610 1.829 -9.358 1.00 7.20 H new ATOM 0 HA GLU A 66 -15.541 0.518 -11.007 1.00 8.03 H new ATOM 0 HB2 GLU A 66 -14.107 1.193 -12.848 1.00 8.67 H new ATOM 0 HB3 GLU A 66 -14.475 2.518 -11.762 1.00 8.67 H new ATOM 0 HG2 GLU A 66 -12.245 2.332 -10.744 1.00 8.45 H new ATOM 0 HG3 GLU A 66 -11.873 0.962 -11.772 1.00 8.45 H new ATOM 1002 N HIS A 67 -12.848 -1.125 -10.230 1.00 7.64 N ATOM 1003 CA HIS A 67 -12.271 -2.466 -10.250 1.00 7.74 C ATOM 1004 C HIS A 67 -13.272 -3.472 -9.663 1.00 7.19 C ATOM 1005 O HIS A 67 -13.402 -4.605 -10.153 1.00 7.42 O ATOM 1006 CB HIS A 67 -10.931 -2.499 -9.484 1.00 7.65 C ATOM 1007 CG HIS A 67 -10.258 -3.857 -9.411 1.00 7.96 C ATOM 1008 ND1 HIS A 67 -9.360 -4.310 -10.352 1.00 8.79 N ATOM 1009 CD2 HIS A 67 -10.338 -4.847 -8.475 1.00 7.62 C ATOM 1010 CE1 HIS A 67 -8.916 -5.503 -9.999 1.00 8.97 C ATOM 1011 NE2 HIS A 67 -9.491 -5.850 -8.871 1.00 8.28 N ATOM 0 H HIS A 67 -12.388 -0.471 -9.596 1.00 7.64 H new ATOM 0 HA HIS A 67 -12.064 -2.746 -11.283 1.00 7.74 H new ATOM 0 HB2 HIS A 67 -10.244 -1.797 -9.956 1.00 7.65 H new ATOM 0 HB3 HIS A 67 -11.103 -2.142 -8.469 1.00 7.65 H new ATOM 0 HD1 HIS A 67 -9.081 -3.803 -11.192 1.00 8.79 H new ATOM 0 HD2 HIS A 67 -10.954 -4.841 -7.588 1.00 7.62 H new ATOM 0 HE1 HIS A 67 -8.199 -6.095 -10.548 1.00 8.97 H new ATOM 1020 N ALA A 68 -13.983 -3.047 -8.633 1.00 6.53 N ATOM 1021 CA ALA A 68 -14.986 -3.868 -7.987 1.00 6.01 C ATOM 1022 C ALA A 68 -16.182 -4.048 -8.893 1.00 6.43 C ATOM 1023 O ALA A 68 -16.693 -5.141 -9.022 1.00 6.43 O ATOM 1024 CB ALA A 68 -15.421 -3.265 -6.664 1.00 5.28 C ATOM 0 H ALA A 68 -13.879 -2.119 -8.222 1.00 6.53 H new ATOM 0 HA ALA A 68 -14.541 -4.843 -7.786 1.00 6.01 H new ATOM 0 HB1 ALA A 68 -16.174 -3.904 -6.203 1.00 5.28 H new ATOM 0 HB2 ALA A 68 -14.560 -3.183 -6.001 1.00 5.28 H new ATOM 0 HB3 ALA A 68 -15.842 -2.274 -6.836 1.00 5.28 H new ATOM 1030 N GLU A 69 -16.603 -2.973 -9.559 1.00 6.88 N ATOM 1031 CA GLU A 69 -17.762 -3.023 -10.465 1.00 7.44 C ATOM 1032 C GLU A 69 -17.514 -3.946 -11.642 1.00 8.10 C ATOM 1033 O GLU A 69 -18.445 -4.380 -12.317 1.00 8.50 O ATOM 1034 CB GLU A 69 -18.140 -1.620 -10.929 1.00 7.93 C ATOM 1035 CG GLU A 69 -18.572 -0.712 -9.783 1.00 7.64 C ATOM 1036 CD GLU A 69 -19.829 -1.201 -9.069 1.00 7.66 C ATOM 1037 OE1 GLU A 69 -19.734 -2.200 -8.334 1.00 7.78 O ATOM 1038 OE2 GLU A 69 -20.905 -0.613 -9.250 1.00 7.77 O ATOM 0 H GLU A 69 -16.163 -2.055 -9.492 1.00 6.88 H new ATOM 0 HA GLU A 69 -18.603 -3.436 -9.909 1.00 7.44 H new ATOM 0 HB2 GLU A 69 -17.289 -1.171 -11.441 1.00 7.93 H new ATOM 0 HB3 GLU A 69 -18.949 -1.689 -11.656 1.00 7.93 H new ATOM 0 HG2 GLU A 69 -17.758 -0.636 -9.062 1.00 7.64 H new ATOM 0 HG3 GLU A 69 -18.749 0.291 -10.170 1.00 7.64 H new ATOM 1045 N ALA A 70 -16.257 -4.249 -11.882 1.00 8.29 N ATOM 1046 CA ALA A 70 -15.876 -5.171 -12.925 1.00 8.98 C ATOM 1047 C ALA A 70 -15.948 -6.632 -12.428 1.00 8.74 C ATOM 1048 O ALA A 70 -15.851 -7.570 -13.227 1.00 9.31 O ATOM 1049 CB ALA A 70 -14.468 -4.849 -13.408 1.00 9.41 C ATOM 0 H ALA A 70 -15.472 -3.862 -11.359 1.00 8.29 H new ATOM 0 HA ALA A 70 -16.576 -5.062 -13.754 1.00 8.98 H new ATOM 0 HB1 ALA A 70 -14.185 -5.548 -14.195 1.00 9.41 H new ATOM 0 HB2 ALA A 70 -14.441 -3.832 -13.799 1.00 9.41 H new ATOM 0 HB3 ALA A 70 -13.769 -4.937 -12.576 1.00 9.41 H new ATOM 1055 N LYS A 71 -16.107 -6.826 -11.100 1.00 7.94 N ATOM 1056 CA LYS A 71 -16.134 -8.166 -10.488 1.00 7.72 C ATOM 1057 C LYS A 71 -17.147 -8.269 -9.333 1.00 7.00 C ATOM 1058 O LYS A 71 -18.283 -8.667 -9.540 1.00 7.10 O ATOM 1059 CB LYS A 71 -14.721 -8.578 -9.987 1.00 7.70 C ATOM 1060 CG LYS A 71 -13.685 -8.708 -11.082 1.00 8.55 C ATOM 1061 CD LYS A 71 -14.019 -9.870 -12.026 1.00 9.28 C ATOM 1062 CE LYS A 71 -13.123 -9.886 -13.251 1.00 10.04 C ATOM 1063 NZ LYS A 71 -13.300 -8.648 -14.054 1.00 10.32 N ATOM 0 H LYS A 71 -16.219 -6.064 -10.431 1.00 7.94 H new ATOM 0 HA LYS A 71 -16.455 -8.854 -11.270 1.00 7.72 H new ATOM 0 HB2 LYS A 71 -14.376 -7.840 -9.262 1.00 7.70 H new ATOM 0 HB3 LYS A 71 -14.798 -9.530 -9.461 1.00 7.70 H new ATOM 0 HG2 LYS A 71 -13.633 -7.779 -11.649 1.00 8.55 H new ATOM 0 HG3 LYS A 71 -12.702 -8.867 -10.639 1.00 8.55 H new ATOM 0 HD2 LYS A 71 -13.916 -10.813 -11.490 1.00 9.28 H new ATOM 0 HD3 LYS A 71 -15.060 -9.794 -12.340 1.00 9.28 H new ATOM 0 HE2 LYS A 71 -12.081 -9.979 -12.943 1.00 10.04 H new ATOM 0 HE3 LYS A 71 -13.353 -10.758 -13.864 1.00 10.04 H new ATOM 0 HZ1 LYS A 71 -13.307 -8.889 -15.066 1.00 10.32 H new ATOM 0 HZ2 LYS A 71 -14.201 -8.195 -13.800 1.00 10.32 H new ATOM 0 HZ3 LYS A 71 -12.516 -7.993 -13.859 1.00 10.32 H new ATOM 1077 N HIS A 72 -16.702 -7.862 -8.121 1.00 6.33 N ATOM 1078 CA HIS A 72 -17.477 -7.947 -6.837 1.00 5.62 C ATOM 1079 C HIS A 72 -18.265 -9.283 -6.657 1.00 5.65 C ATOM 1080 O HIS A 72 -19.415 -9.258 -6.235 1.00 5.60 O ATOM 1081 CB HIS A 72 -18.423 -6.711 -6.618 1.00 5.47 C ATOM 1082 CG HIS A 72 -19.551 -6.533 -7.632 1.00 6.14 C ATOM 1083 ND1 HIS A 72 -20.741 -7.240 -7.584 1.00 6.44 N ATOM 1084 CD2 HIS A 72 -19.654 -5.730 -8.703 1.00 6.81 C ATOM 1085 CE1 HIS A 72 -21.517 -6.868 -8.573 1.00 7.21 C ATOM 1086 NE2 HIS A 72 -20.876 -5.955 -9.270 1.00 7.47 N ATOM 0 H HIS A 72 -15.775 -7.455 -7.994 1.00 6.33 H new ATOM 0 HA HIS A 72 -16.713 -7.931 -6.060 1.00 5.62 H new ATOM 0 HB2 HIS A 72 -18.865 -6.791 -5.625 1.00 5.47 H new ATOM 0 HB3 HIS A 72 -17.813 -5.808 -6.624 1.00 5.47 H new ATOM 0 HD1 HIS A 72 -20.978 -7.944 -6.885 1.00 6.44 H new ATOM 0 HD2 HIS A 72 -18.907 -5.033 -9.053 1.00 6.81 H new ATOM 0 HE1 HIS A 72 -22.508 -7.245 -8.779 1.00 7.21 H new ATOM 1095 N PRO A 73 -17.642 -10.470 -6.885 1.00 5.90 N ATOM 1096 CA PRO A 73 -18.369 -11.716 -6.822 1.00 6.06 C ATOM 1097 C PRO A 73 -18.701 -12.119 -5.399 1.00 5.49 C ATOM 1098 O PRO A 73 -19.796 -12.574 -5.106 1.00 5.49 O ATOM 1099 CB PRO A 73 -17.448 -12.756 -7.472 1.00 6.60 C ATOM 1100 CG PRO A 73 -16.161 -12.046 -7.786 1.00 6.81 C ATOM 1101 CD PRO A 73 -16.226 -10.676 -7.170 1.00 6.21 C ATOM 0 HA PRO A 73 -19.328 -11.628 -7.333 1.00 6.06 H new ATOM 0 HB2 PRO A 73 -17.274 -13.595 -6.799 1.00 6.60 H new ATOM 0 HB3 PRO A 73 -17.899 -13.162 -8.378 1.00 6.60 H new ATOM 0 HG2 PRO A 73 -15.312 -12.603 -7.389 1.00 6.81 H new ATOM 0 HG3 PRO A 73 -16.019 -11.973 -8.864 1.00 6.81 H new ATOM 0 HD2 PRO A 73 -15.626 -10.620 -6.262 1.00 6.21 H new ATOM 0 HD3 PRO A 73 -15.844 -9.916 -7.851 1.00 6.21 H new ATOM 1109 N LYS A 74 -17.753 -11.939 -4.528 1.00 5.12 N ATOM 1110 CA LYS A 74 -17.917 -12.286 -3.152 1.00 4.75 C ATOM 1111 C LYS A 74 -16.888 -11.544 -2.348 1.00 4.46 C ATOM 1112 O LYS A 74 -15.709 -11.711 -2.554 1.00 4.75 O ATOM 1113 CB LYS A 74 -17.740 -13.825 -2.951 1.00 5.23 C ATOM 1114 CG LYS A 74 -16.349 -14.370 -3.373 1.00 5.74 C ATOM 1115 CD LYS A 74 -16.194 -15.911 -3.261 1.00 6.36 C ATOM 1116 CE LYS A 74 -16.140 -16.452 -1.808 1.00 6.91 C ATOM 1117 NZ LYS A 74 -17.427 -16.381 -1.076 1.00 7.32 N ATOM 0 H LYS A 74 -16.840 -11.545 -4.756 1.00 5.12 H new ATOM 0 HA LYS A 74 -18.920 -12.013 -2.823 1.00 4.75 H new ATOM 0 HB2 LYS A 74 -17.907 -14.064 -1.901 1.00 5.23 H new ATOM 0 HB3 LYS A 74 -18.509 -14.345 -3.522 1.00 5.23 H new ATOM 0 HG2 LYS A 74 -16.155 -14.073 -4.404 1.00 5.74 H new ATOM 0 HG3 LYS A 74 -15.586 -13.896 -2.756 1.00 5.74 H new ATOM 0 HD2 LYS A 74 -17.027 -16.385 -3.780 1.00 6.36 H new ATOM 0 HD3 LYS A 74 -15.283 -16.210 -3.780 1.00 6.36 H new ATOM 0 HE2 LYS A 74 -15.808 -17.490 -1.833 1.00 6.91 H new ATOM 0 HE3 LYS A 74 -15.389 -15.890 -1.252 1.00 6.91 H new ATOM 0 HZ1 LYS A 74 -17.282 -15.904 -0.164 1.00 7.32 H new ATOM 0 HZ2 LYS A 74 -18.118 -15.846 -1.640 1.00 7.32 H new ATOM 0 HZ3 LYS A 74 -17.786 -17.343 -0.910 1.00 7.32 H new ATOM 1131 N ALA A 75 -17.307 -10.683 -1.490 1.00 4.19 N ATOM 1132 CA ALA A 75 -16.349 -10.059 -0.608 1.00 4.02 C ATOM 1133 C ALA A 75 -15.903 -11.088 0.439 1.00 4.43 C ATOM 1134 O ALA A 75 -14.725 -11.332 0.612 1.00 4.52 O ATOM 1135 CB ALA A 75 -16.863 -8.752 -0.017 1.00 3.36 C ATOM 0 H ALA A 75 -18.277 -10.391 -1.370 1.00 4.19 H new ATOM 0 HA ALA A 75 -15.470 -9.756 -1.177 1.00 4.02 H new ATOM 0 HB1 ALA A 75 -16.103 -8.325 0.638 1.00 3.36 H new ATOM 0 HB2 ALA A 75 -17.084 -8.051 -0.822 1.00 3.36 H new ATOM 0 HB3 ALA A 75 -17.770 -8.944 0.556 1.00 3.36 H new ATOM 1141 N ASP A 76 -16.874 -11.706 1.085 1.00 5.01 N ATOM 1142 CA ASP A 76 -16.666 -12.879 1.989 1.00 5.63 C ATOM 1143 C ASP A 76 -15.746 -12.557 3.203 1.00 5.81 C ATOM 1144 O ASP A 76 -16.220 -12.169 4.265 1.00 5.63 O ATOM 1145 CB ASP A 76 -16.111 -14.052 1.174 1.00 6.39 C ATOM 1146 CG ASP A 76 -16.103 -15.384 1.894 1.00 6.62 C ATOM 1147 OD1 ASP A 76 -15.274 -15.546 2.838 1.00 6.82 O ATOM 1148 OD2 ASP A 76 -16.924 -16.240 1.596 1.00 6.80 O ATOM 0 H ASP A 76 -17.851 -11.423 1.012 1.00 5.01 H new ATOM 0 HA ASP A 76 -17.634 -13.147 2.413 1.00 5.63 H new ATOM 0 HB2 ASP A 76 -16.700 -14.152 0.262 1.00 6.39 H new ATOM 0 HB3 ASP A 76 -15.092 -13.814 0.870 1.00 6.39 H new ATOM 1153 N VAL A 77 -14.439 -12.685 3.013 1.00 6.30 N ATOM 1154 CA VAL A 77 -13.464 -12.376 4.064 1.00 6.58 C ATOM 1155 C VAL A 77 -13.010 -10.946 3.937 1.00 5.93 C ATOM 1156 O VAL A 77 -12.498 -10.356 4.883 1.00 6.00 O ATOM 1157 CB VAL A 77 -12.230 -13.335 4.065 1.00 7.48 C ATOM 1158 CG1 VAL A 77 -12.655 -14.765 4.342 1.00 8.15 C ATOM 1159 CG2 VAL A 77 -11.455 -13.251 2.750 1.00 7.55 C ATOM 0 H VAL A 77 -14.023 -13.002 2.137 1.00 6.30 H new ATOM 0 HA VAL A 77 -13.972 -12.525 5.017 1.00 6.58 H new ATOM 0 HB VAL A 77 -11.565 -13.012 4.866 1.00 7.48 H new ATOM 0 HG11 VAL A 77 -11.778 -15.413 4.337 1.00 8.15 H new ATOM 0 HG12 VAL A 77 -13.140 -14.818 5.317 1.00 8.15 H new ATOM 0 HG13 VAL A 77 -13.352 -15.093 3.571 1.00 8.15 H new ATOM 0 HG21 VAL A 77 -10.604 -13.931 2.785 1.00 7.55 H new ATOM 0 HG22 VAL A 77 -12.109 -13.531 1.924 1.00 7.55 H new ATOM 0 HG23 VAL A 77 -11.099 -12.231 2.602 1.00 7.55 H new ATOM 1169 N VAL A 78 -13.214 -10.382 2.768 1.00 5.38 N ATOM 1170 CA VAL A 78 -12.926 -8.992 2.548 1.00 4.74 C ATOM 1171 C VAL A 78 -14.239 -8.232 2.574 1.00 4.00 C ATOM 1172 O VAL A 78 -14.326 -7.115 2.143 1.00 3.42 O ATOM 1173 CB VAL A 78 -12.131 -8.722 1.213 1.00 4.78 C ATOM 1174 CG1 VAL A 78 -10.832 -9.510 1.183 1.00 5.65 C ATOM 1175 CG2 VAL A 78 -12.952 -9.006 -0.031 1.00 4.70 C ATOM 0 H VAL A 78 -13.581 -10.873 1.953 1.00 5.38 H new ATOM 0 HA VAL A 78 -12.266 -8.645 3.343 1.00 4.74 H new ATOM 0 HB VAL A 78 -11.900 -7.657 1.205 1.00 4.78 H new ATOM 0 HG11 VAL A 78 -10.304 -9.305 0.252 1.00 5.65 H new ATOM 0 HG12 VAL A 78 -10.208 -9.215 2.027 1.00 5.65 H new ATOM 0 HG13 VAL A 78 -11.051 -10.576 1.249 1.00 5.65 H new ATOM 0 HG21 VAL A 78 -12.352 -8.802 -0.918 1.00 4.70 H new ATOM 0 HG22 VAL A 78 -13.259 -10.052 -0.033 1.00 4.70 H new ATOM 0 HG23 VAL A 78 -13.836 -8.369 -0.037 1.00 4.70 H new ATOM 1185 N ALA A 79 -15.267 -8.875 3.153 1.00 4.18 N ATOM 1186 CA ALA A 79 -16.619 -8.280 3.299 1.00 3.76 C ATOM 1187 C ALA A 79 -16.597 -7.059 4.216 1.00 3.69 C ATOM 1188 O ALA A 79 -17.563 -6.293 4.304 1.00 3.56 O ATOM 1189 CB ALA A 79 -17.620 -9.316 3.797 1.00 4.24 C ATOM 0 H ALA A 79 -15.192 -9.818 3.534 1.00 4.18 H new ATOM 0 HA ALA A 79 -16.939 -7.945 2.312 1.00 3.76 H new ATOM 0 HB1 ALA A 79 -18.603 -8.855 3.895 1.00 4.24 H new ATOM 0 HB2 ALA A 79 -17.676 -10.140 3.085 1.00 4.24 H new ATOM 0 HB3 ALA A 79 -17.299 -9.696 4.767 1.00 4.24 H new ATOM 1195 N CYS A 80 -15.499 -6.895 4.890 1.00 4.00 N ATOM 1196 CA CYS A 80 -15.241 -5.746 5.708 1.00 4.07 C ATOM 1197 C CYS A 80 -14.895 -4.532 4.820 1.00 3.33 C ATOM 1198 O CYS A 80 -14.920 -3.375 5.272 1.00 3.38 O ATOM 1199 CB CYS A 80 -14.108 -6.079 6.669 1.00 4.73 C ATOM 1200 SG CYS A 80 -14.529 -7.377 7.851 1.00 5.60 S ATOM 0 H CYS A 80 -14.737 -7.573 4.887 1.00 4.00 H new ATOM 0 HA CYS A 80 -16.127 -5.484 6.286 1.00 4.07 H new ATOM 0 HB2 CYS A 80 -13.234 -6.389 6.096 1.00 4.73 H new ATOM 0 HB3 CYS A 80 -13.828 -5.178 7.215 1.00 4.73 H new ATOM 0 HG CYS A 80 -13.512 -7.602 8.629 1.00 5.60 H new ATOM 1206 N PHE A 81 -14.583 -4.819 3.562 1.00 2.86 N ATOM 1207 CA PHE A 81 -14.255 -3.831 2.545 1.00 2.27 C ATOM 1208 C PHE A 81 -14.562 -4.367 1.109 1.00 2.17 C ATOM 1209 O PHE A 81 -13.667 -4.657 0.331 1.00 2.52 O ATOM 1210 CB PHE A 81 -12.799 -3.339 2.714 1.00 2.41 C ATOM 1211 CG PHE A 81 -11.769 -4.439 3.002 1.00 3.01 C ATOM 1212 CD1 PHE A 81 -11.199 -5.143 1.960 1.00 3.50 C ATOM 1213 CD2 PHE A 81 -11.386 -4.755 4.294 1.00 3.67 C ATOM 1214 CE1 PHE A 81 -10.280 -6.139 2.197 1.00 4.57 C ATOM 1215 CE2 PHE A 81 -10.467 -5.755 4.545 1.00 4.68 C ATOM 1216 CZ PHE A 81 -9.896 -6.418 3.556 1.00 5.13 C ATOM 0 H PHE A 81 -14.551 -5.776 3.212 1.00 2.86 H new ATOM 0 HA PHE A 81 -14.898 -2.961 2.682 1.00 2.27 H new ATOM 0 HB2 PHE A 81 -12.502 -2.813 1.806 1.00 2.41 H new ATOM 0 HB3 PHE A 81 -12.769 -2.613 3.527 1.00 2.41 H new ATOM 0 HD1 PHE A 81 -11.479 -4.908 0.944 1.00 3.50 H new ATOM 0 HD2 PHE A 81 -11.814 -4.209 5.122 1.00 3.67 H new ATOM 0 HE1 PHE A 81 -9.855 -6.701 1.379 1.00 4.57 H new ATOM 0 HE2 PHE A 81 -10.211 -5.998 5.566 1.00 4.68 H new ATOM 0 HZ PHE A 81 -9.145 -7.165 3.766 1.00 5.13 H new ATOM 1226 N PRO A 82 -15.875 -4.520 0.769 1.00 2.09 N ATOM 1227 CA PRO A 82 -16.338 -5.171 -0.500 1.00 2.39 C ATOM 1228 C PRO A 82 -15.953 -4.453 -1.775 1.00 2.74 C ATOM 1229 O PRO A 82 -15.965 -5.049 -2.848 1.00 3.27 O ATOM 1230 CB PRO A 82 -17.861 -5.210 -0.351 1.00 2.47 C ATOM 1231 CG PRO A 82 -18.111 -5.014 1.107 1.00 2.41 C ATOM 1232 CD PRO A 82 -17.024 -4.111 1.593 1.00 2.19 C ATOM 0 HA PRO A 82 -15.862 -6.145 -0.611 1.00 2.39 H new ATOM 0 HB2 PRO A 82 -18.336 -4.427 -0.942 1.00 2.47 H new ATOM 0 HB3 PRO A 82 -18.267 -6.160 -0.697 1.00 2.47 H new ATOM 0 HG2 PRO A 82 -19.092 -4.571 1.279 1.00 2.41 H new ATOM 0 HG3 PRO A 82 -18.094 -5.966 1.637 1.00 2.41 H new ATOM 0 HD2 PRO A 82 -17.274 -3.060 1.447 1.00 2.19 H new ATOM 0 HD3 PRO A 82 -16.829 -4.247 2.657 1.00 2.19 H new ATOM 1240 N HIS A 83 -15.584 -3.201 -1.667 1.00 2.68 N ATOM 1241 CA HIS A 83 -15.197 -2.437 -2.849 1.00 3.26 C ATOM 1242 C HIS A 83 -13.766 -2.716 -3.248 1.00 3.66 C ATOM 1243 O HIS A 83 -13.256 -2.102 -4.166 1.00 4.25 O ATOM 1244 CB HIS A 83 -15.402 -0.912 -2.666 1.00 3.25 C ATOM 1245 CG HIS A 83 -16.821 -0.447 -2.675 1.00 3.45 C ATOM 1246 ND1 HIS A 83 -17.634 -0.388 -1.554 1.00 3.86 N ATOM 1247 CD2 HIS A 83 -17.560 0.005 -3.689 1.00 3.77 C ATOM 1248 CE1 HIS A 83 -18.825 0.085 -1.903 1.00 4.24 C ATOM 1249 NE2 HIS A 83 -18.803 0.331 -3.195 1.00 4.19 N ATOM 0 H HIS A 83 -15.540 -2.685 -0.788 1.00 2.68 H new ATOM 0 HA HIS A 83 -15.859 -2.770 -3.649 1.00 3.26 H new ATOM 0 HB2 HIS A 83 -14.946 -0.613 -1.722 1.00 3.25 H new ATOM 0 HB3 HIS A 83 -14.863 -0.393 -3.459 1.00 3.25 H new ATOM 0 HD2 HIS A 83 -17.240 0.099 -4.716 1.00 3.77 H new ATOM 0 HE1 HIS A 83 -19.665 0.240 -1.242 1.00 4.24 H new ATOM 0 HE2 HIS A 83 -19.580 0.703 -3.742 1.00 4.19 H new ATOM 1258 N LEU A 84 -13.120 -3.642 -2.561 1.00 3.56 N ATOM 1259 CA LEU A 84 -11.734 -3.928 -2.845 1.00 4.20 C ATOM 1260 C LEU A 84 -11.572 -5.367 -3.372 1.00 4.81 C ATOM 1261 O LEU A 84 -10.446 -5.832 -3.593 1.00 5.47 O ATOM 1262 CB LEU A 84 -10.886 -3.757 -1.578 1.00 4.05 C ATOM 1263 CG LEU A 84 -11.135 -2.486 -0.735 1.00 3.39 C ATOM 1264 CD1 LEU A 84 -10.122 -2.383 0.392 1.00 3.60 C ATOM 1265 CD2 LEU A 84 -11.138 -1.210 -1.568 1.00 3.49 C ATOM 0 H LEU A 84 -13.531 -4.200 -1.812 1.00 3.56 H new ATOM 0 HA LEU A 84 -11.395 -3.228 -3.608 1.00 4.20 H new ATOM 0 HB2 LEU A 84 -11.051 -4.625 -0.940 1.00 4.05 H new ATOM 0 HB3 LEU A 84 -9.836 -3.771 -1.869 1.00 4.05 H new ATOM 0 HG LEU A 84 -12.134 -2.586 -0.311 1.00 3.39 H new ATOM 0 HD11 LEU A 84 -10.315 -1.481 0.973 1.00 3.60 H new ATOM 0 HD12 LEU A 84 -10.207 -3.257 1.038 1.00 3.60 H new ATOM 0 HD13 LEU A 84 -9.116 -2.337 -0.026 1.00 3.60 H new ATOM 0 HD21 LEU A 84 -11.318 -0.353 -0.919 1.00 3.49 H new ATOM 0 HD22 LEU A 84 -10.173 -1.096 -2.062 1.00 3.49 H new ATOM 0 HD23 LEU A 84 -11.925 -1.268 -2.319 1.00 3.49 H new ATOM 1277 N LYS A 85 -12.697 -6.080 -3.567 1.00 4.68 N ATOM 1278 CA LYS A 85 -12.639 -7.448 -4.037 1.00 5.28 C ATOM 1279 C LYS A 85 -12.072 -7.548 -5.456 1.00 6.06 C ATOM 1280 O LYS A 85 -12.182 -6.628 -6.286 1.00 6.40 O ATOM 1281 CB LYS A 85 -14.026 -8.155 -3.952 1.00 5.04 C ATOM 1282 CG LYS A 85 -14.014 -9.657 -4.339 1.00 5.59 C ATOM 1283 CD LYS A 85 -13.027 -10.468 -3.479 1.00 6.41 C ATOM 1284 CE LYS A 85 -13.031 -11.967 -3.816 1.00 7.19 C ATOM 1285 NZ LYS A 85 -12.646 -12.274 -5.227 1.00 8.04 N ATOM 0 H LYS A 85 -13.639 -5.724 -3.405 1.00 4.68 H new ATOM 0 HA LYS A 85 -11.955 -7.969 -3.367 1.00 5.28 H new ATOM 0 HB2 LYS A 85 -14.405 -8.059 -2.935 1.00 5.04 H new ATOM 0 HB3 LYS A 85 -14.726 -7.632 -4.604 1.00 5.04 H new ATOM 0 HG2 LYS A 85 -15.017 -10.069 -4.225 1.00 5.59 H new ATOM 0 HG3 LYS A 85 -13.746 -9.758 -5.391 1.00 5.59 H new ATOM 0 HD2 LYS A 85 -12.021 -10.072 -3.619 1.00 6.41 H new ATOM 0 HD3 LYS A 85 -13.278 -10.337 -2.426 1.00 6.41 H new ATOM 0 HE2 LYS A 85 -12.346 -12.482 -3.143 1.00 7.19 H new ATOM 0 HE3 LYS A 85 -14.026 -12.369 -3.626 1.00 7.19 H new ATOM 0 HZ1 LYS A 85 -12.770 -13.291 -5.407 1.00 8.04 H new ATOM 0 HZ2 LYS A 85 -13.249 -11.731 -5.877 1.00 8.04 H new ATOM 0 HZ3 LYS A 85 -11.651 -12.014 -5.380 1.00 8.04 H new ATOM 1299 N LYS A 86 -11.500 -8.670 -5.699 1.00 6.60 N ATOM 1300 CA LYS A 86 -10.918 -9.047 -6.938 1.00 7.50 C ATOM 1301 C LYS A 86 -11.293 -10.503 -7.157 1.00 8.13 C ATOM 1302 O LYS A 86 -10.579 -11.398 -6.683 1.00 8.62 O ATOM 1303 CB LYS A 86 -9.369 -8.803 -6.945 1.00 8.04 C ATOM 1304 CG LYS A 86 -8.566 -9.482 -5.820 1.00 8.96 C ATOM 1305 CD LYS A 86 -7.078 -9.190 -5.961 1.00 9.74 C ATOM 1306 CE LYS A 86 -6.266 -9.869 -4.864 1.00 10.66 C ATOM 1307 NZ LYS A 86 -6.385 -11.341 -4.906 1.00 11.10 N ATOM 1308 OXT LYS A 86 -12.396 -10.749 -7.668 1.00 8.37 O ATOM 0 H LYS A 86 -11.420 -9.400 -4.991 1.00 6.60 H new ATOM 0 HA LYS A 86 -11.294 -8.437 -7.760 1.00 7.50 H new ATOM 0 HB2 LYS A 86 -8.973 -9.144 -7.902 1.00 8.04 H new ATOM 0 HB3 LYS A 86 -9.192 -7.729 -6.892 1.00 8.04 H new ATOM 0 HG2 LYS A 86 -8.920 -9.129 -4.851 1.00 8.96 H new ATOM 0 HG3 LYS A 86 -8.733 -10.559 -5.847 1.00 8.96 H new ATOM 0 HD2 LYS A 86 -6.730 -9.532 -6.936 1.00 9.74 H new ATOM 0 HD3 LYS A 86 -6.913 -8.113 -5.923 1.00 9.74 H new ATOM 0 HE2 LYS A 86 -5.218 -9.589 -4.965 1.00 10.66 H new ATOM 0 HE3 LYS A 86 -6.600 -9.508 -3.891 1.00 10.66 H new ATOM 0 HZ1 LYS A 86 -5.679 -11.765 -4.270 1.00 11.10 H new ATOM 0 HZ2 LYS A 86 -7.339 -11.621 -4.600 1.00 11.10 H new ATOM 0 HZ3 LYS A 86 -6.221 -11.675 -5.877 1.00 11.10 H new TER 1322 LYS A 86