USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 914 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 NoAdj-H: A 5 GLU H : A 5 GLU N : A 4 GLU OE1 :(H bumps) USER MOD Single : A 1 ASP N :NH3+ 180:sc= 1.06 (180deg=1.06) USER MOD Single : A 8 HIS : no HD1:sc= -0.236 X(o=-0.24,f=-0.59) USER MOD Single : A 14 LYS NZ :NH3+ -162:sc= 0.199 (180deg=0.102) USER MOD Single : A 15 SER OG : rot -43:sc= 0.814 USER MOD Single : A 16 ASN : amide:sc= -3.19 X(o=-3.2,f=-3.7!) USER MOD Single : A 24 HIS : no HE2:sc= 0.456 K(o=0.46,f=-2.9!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.164 USER MOD Single : A 32 TYR OH : rot 74:sc= 1.25 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 145:sc= -4.05! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0153 USER MOD Single : A 64 LYS NZ :NH3+ -151:sc= 0.00516 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 130:sc= -1.64! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.862 K(o=-0.86,f=-2.1!) USER MOD Single : A 77 TYR OH : rot -99:sc= 1.23 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 2:sc= -0.36 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -1.07 K(o=-1.1,f=0) USER MOD Single : A 93 THR OG1 : rot 4:sc= -0.052 USER MOD Single : A 95 SER OG : rot -60:sc= 0.138 USER MOD Single : A 97 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.317) USER MOD Single : A 99 TYR OH : rot 24:sc= -2.94! USER MOD Single : A 100 THR OG1 : rot 179:sc= 0.846 USER MOD Single : A 110 ASN : amide:sc= -0.0262 K(o=-0.026,f=-1.3!) USER MOD Single : A 113 LYS NZ :NH3+ 165:sc= 0.0494 (180deg=0.0224) USER MOD Single : A 114 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.0674) USER MOD Single : A 116 THR OG1 : rot 61:sc= 0.731 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -7.889 10.731 14.994 1.00 7.08 N ATOM 2 CA ASP A 1 -7.015 10.558 16.189 1.00 6.65 C ATOM 3 C ASP A 1 -6.708 9.074 16.408 1.00 5.96 C ATOM 4 O ASP A 1 -7.342 8.208 15.837 1.00 6.16 O ATOM 5 CB ASP A 1 -7.825 11.119 17.358 1.00 7.15 C ATOM 6 CG ASP A 1 -9.109 10.305 17.532 1.00 7.15 C ATOM 7 OD1 ASP A 1 -9.481 9.610 16.600 1.00 7.22 O ATOM 8 OD2 ASP A 1 -9.700 10.389 18.596 1.00 7.37 O ATOM 0 H1 ASP A 1 -8.091 11.742 14.855 1.00 7.08 H new ATOM 0 H2 ASP A 1 -7.406 10.356 14.153 1.00 7.08 H new ATOM 0 H3 ASP A 1 -8.781 10.217 15.139 1.00 7.08 H new ATOM 0 HA ASP A 1 -6.057 11.067 16.078 1.00 6.65 H new ATOM 0 HB2 ASP A 1 -7.234 11.084 18.273 1.00 7.15 H new ATOM 0 HB3 ASP A 1 -8.068 12.166 17.176 1.00 7.15 H new ATOM 15 N ALA A 2 -5.738 8.773 17.228 1.00 5.41 N ATOM 16 CA ALA A 2 -5.389 7.345 17.480 1.00 4.78 C ATOM 17 C ALA A 2 -5.129 6.623 16.151 1.00 3.77 C ATOM 18 O ALA A 2 -6.052 6.161 15.510 1.00 3.42 O ATOM 19 CB ALA A 2 -6.614 6.753 18.181 1.00 5.00 C ATOM 0 H ALA A 2 -5.172 9.454 17.734 1.00 5.41 H new ATOM 0 HA ALA A 2 -4.486 7.240 18.082 1.00 4.78 H new ATOM 0 HB1 ALA A 2 -6.434 5.701 18.400 1.00 5.00 H new ATOM 0 HB2 ALA A 2 -6.797 7.292 19.111 1.00 5.00 H new ATOM 0 HB3 ALA A 2 -7.485 6.845 17.532 1.00 5.00 H new ATOM 25 N PRO A 3 -3.874 6.552 15.775 1.00 3.56 N ATOM 26 CA PRO A 3 -3.504 5.883 14.504 1.00 2.78 C ATOM 27 C PRO A 3 -3.571 4.360 14.659 1.00 2.04 C ATOM 28 O PRO A 3 -2.878 3.780 15.471 1.00 2.31 O ATOM 29 CB PRO A 3 -2.070 6.342 14.261 1.00 3.38 C ATOM 30 CG PRO A 3 -1.531 6.685 15.616 1.00 4.09 C ATOM 31 CD PRO A 3 -2.699 7.085 16.482 1.00 4.30 C ATOM 0 HA PRO A 3 -4.172 6.133 13.680 1.00 2.78 H new ATOM 0 HB2 PRO A 3 -1.480 5.556 13.790 1.00 3.38 H new ATOM 0 HB3 PRO A 3 -2.040 7.205 13.596 1.00 3.38 H new ATOM 0 HG2 PRO A 3 -1.008 5.831 16.048 1.00 4.09 H new ATOM 0 HG3 PRO A 3 -0.809 7.499 15.546 1.00 4.09 H new ATOM 0 HD2 PRO A 3 -2.613 6.665 17.484 1.00 4.30 H new ATOM 0 HD3 PRO A 3 -2.759 8.168 16.594 1.00 4.30 H new ATOM 39 N GLU A 4 -4.396 3.711 13.885 1.00 1.37 N ATOM 40 CA GLU A 4 -4.502 2.226 13.986 1.00 1.14 C ATOM 41 C GLU A 4 -3.529 1.563 13.006 1.00 0.89 C ATOM 42 O GLU A 4 -3.029 2.192 12.095 1.00 1.30 O ATOM 43 CB GLU A 4 -5.949 1.905 13.609 1.00 1.67 C ATOM 44 CG GLU A 4 -6.239 0.432 13.905 1.00 2.39 C ATOM 45 CD GLU A 4 -4.949 -0.262 14.345 1.00 2.65 C ATOM 46 OE1 GLU A 4 -4.044 -0.357 13.532 1.00 3.09 O ATOM 47 OE2 GLU A 4 -4.889 -0.688 15.486 1.00 3.05 O ATOM 0 H GLU A 4 -5.001 4.143 13.187 1.00 1.37 H new ATOM 0 HA GLU A 4 -4.252 1.858 14.981 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -6.632 2.541 14.172 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -6.116 2.114 12.552 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -6.994 0.349 14.686 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -6.643 -0.056 13.018 1.00 2.39 H new ATOM 54 N GLU A 5 -3.254 0.299 13.186 1.00 1.00 N ATOM 55 CA GLU A 5 -2.310 -0.395 12.262 1.00 0.81 C ATOM 56 C GLU A 5 -2.695 -1.870 12.111 1.00 0.87 C ATOM 57 O GLU A 5 -3.370 -2.433 12.949 1.00 1.15 O ATOM 58 CB GLU A 5 -0.938 -0.265 12.927 1.00 0.95 C ATOM 59 CG GLU A 5 -0.979 -0.911 14.313 1.00 1.46 C ATOM 60 CD GLU A 5 0.229 -0.448 15.129 1.00 1.82 C ATOM 61 OE1 GLU A 5 0.419 0.753 15.241 1.00 2.19 O ATOM 62 OE2 GLU A 5 0.946 -1.300 15.628 1.00 2.50 O ATOM 0 HA GLU A 5 -2.323 0.037 11.262 1.00 0.81 H new ATOM 0 HB2 GLU A 5 -0.177 -0.746 12.312 1.00 0.95 H new ATOM 0 HB3 GLU A 5 -0.661 0.786 13.012 1.00 0.95 H new ATOM 0 HG2 GLU A 5 -1.902 -0.640 14.825 1.00 1.46 H new ATOM 0 HG3 GLU A 5 -0.973 -1.997 14.220 1.00 1.46 H new ATOM 69 N GLU A 6 -2.267 -2.497 11.050 1.00 0.79 N ATOM 70 CA GLU A 6 -2.603 -3.936 10.845 1.00 1.04 C ATOM 71 C GLU A 6 -1.319 -4.767 10.770 1.00 1.10 C ATOM 72 O GLU A 6 -0.473 -4.539 9.930 1.00 1.76 O ATOM 73 CB GLU A 6 -3.352 -3.982 9.512 1.00 1.28 C ATOM 74 CG GLU A 6 -4.859 -3.935 9.773 1.00 1.68 C ATOM 75 CD GLU A 6 -5.487 -5.275 9.386 1.00 1.97 C ATOM 76 OE1 GLU A 6 -5.260 -5.712 8.270 1.00 2.63 O ATOM 77 OE2 GLU A 6 -6.186 -5.840 10.211 1.00 2.24 O ATOM 0 H GLU A 6 -1.699 -2.076 10.315 1.00 0.79 H new ATOM 0 HA GLU A 6 -3.201 -4.344 11.660 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -3.054 -3.141 8.886 1.00 1.28 H new ATOM 0 HB3 GLU A 6 -3.094 -4.891 8.969 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -5.050 -3.722 10.825 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -5.313 -3.129 9.197 1.00 1.68 H new ATOM 84 N ASP A 7 -1.168 -5.723 11.648 1.00 1.27 N ATOM 85 CA ASP A 7 0.063 -6.568 11.637 1.00 1.35 C ATOM 86 C ASP A 7 1.314 -5.680 11.709 1.00 1.28 C ATOM 87 O ASP A 7 1.799 -5.371 12.780 1.00 2.01 O ATOM 88 CB ASP A 7 0.007 -7.342 10.318 1.00 1.53 C ATOM 89 CG ASP A 7 1.141 -6.874 9.405 1.00 1.92 C ATOM 90 OD1 ASP A 7 2.283 -6.932 9.834 1.00 2.36 O ATOM 91 OD2 ASP A 7 0.851 -6.466 8.293 1.00 2.57 O ATOM 0 H ASP A 7 -1.845 -5.956 12.374 1.00 1.27 H new ATOM 0 HA ASP A 7 0.112 -7.243 12.491 1.00 1.35 H new ATOM 0 HB2 ASP A 7 0.096 -8.412 10.507 1.00 1.53 H new ATOM 0 HB3 ASP A 7 -0.955 -7.183 9.831 1.00 1.53 H new ATOM 96 N HIS A 8 1.842 -5.262 10.587 1.00 1.21 N ATOM 97 CA HIS A 8 3.054 -4.393 10.616 1.00 1.11 C ATOM 98 C HIS A 8 2.897 -3.207 9.653 1.00 0.81 C ATOM 99 O HIS A 8 3.798 -2.407 9.495 1.00 0.87 O ATOM 100 CB HIS A 8 4.199 -5.300 10.165 1.00 1.32 C ATOM 101 CG HIS A 8 4.690 -6.109 11.335 1.00 1.61 C ATOM 102 ND1 HIS A 8 4.833 -5.564 12.602 1.00 2.30 N ATOM 103 CD2 HIS A 8 5.076 -7.422 11.445 1.00 2.02 C ATOM 104 CE1 HIS A 8 5.287 -6.538 13.412 1.00 2.53 C ATOM 105 NE2 HIS A 8 5.452 -7.691 12.758 1.00 2.33 N ATOM 0 H HIS A 8 1.487 -5.484 9.657 1.00 1.21 H new ATOM 0 HA HIS A 8 3.228 -3.969 11.605 1.00 1.11 H new ATOM 0 HB2 HIS A 8 3.860 -5.962 9.368 1.00 1.32 H new ATOM 0 HB3 HIS A 8 5.013 -4.700 9.757 1.00 1.32 H new ATOM 0 HD2 HIS A 8 5.086 -8.137 10.636 1.00 2.02 H new ATOM 0 HE1 HIS A 8 5.493 -6.404 14.464 1.00 2.53 H new ATOM 0 HE2 HIS A 8 5.782 -8.578 13.139 1.00 2.33 H new ATOM 113 N VAL A 9 1.766 -3.082 9.005 1.00 0.69 N ATOM 114 CA VAL A 9 1.571 -1.949 8.063 1.00 0.49 C ATOM 115 C VAL A 9 0.542 -0.965 8.621 1.00 0.41 C ATOM 116 O VAL A 9 -0.032 -1.178 9.671 1.00 0.54 O ATOM 117 CB VAL A 9 1.052 -2.594 6.780 1.00 0.68 C ATOM 118 CG1 VAL A 9 2.127 -3.512 6.199 1.00 0.89 C ATOM 119 CG2 VAL A 9 -0.207 -3.407 7.083 1.00 0.88 C ATOM 0 H VAL A 9 0.973 -3.717 9.091 1.00 0.69 H new ATOM 0 HA VAL A 9 2.489 -1.385 7.898 1.00 0.49 H new ATOM 0 HB VAL A 9 0.811 -1.815 6.057 1.00 0.68 H new ATOM 0 HG11 VAL A 9 1.756 -3.972 5.283 1.00 0.89 H new ATOM 0 HG12 VAL A 9 3.021 -2.930 5.976 1.00 0.89 H new ATOM 0 HG13 VAL A 9 2.371 -4.290 6.923 1.00 0.89 H new ATOM 0 HG21 VAL A 9 -0.574 -3.865 6.165 1.00 0.88 H new ATOM 0 HG22 VAL A 9 0.029 -4.186 7.808 1.00 0.88 H new ATOM 0 HG23 VAL A 9 -0.975 -2.750 7.492 1.00 0.88 H new ATOM 129 N LEU A 10 0.309 0.111 7.926 1.00 0.41 N ATOM 130 CA LEU A 10 -0.680 1.114 8.414 1.00 0.54 C ATOM 131 C LEU A 10 -2.036 0.895 7.737 1.00 0.42 C ATOM 132 O LEU A 10 -2.114 0.439 6.615 1.00 0.59 O ATOM 133 CB LEU A 10 -0.096 2.469 8.011 1.00 0.83 C ATOM 134 CG LEU A 10 -0.252 3.463 9.164 1.00 0.96 C ATOM 135 CD1 LEU A 10 -1.737 3.651 9.482 1.00 1.30 C ATOM 136 CD2 LEU A 10 0.473 2.931 10.402 1.00 1.49 C ATOM 0 H LEU A 10 0.760 0.341 7.040 1.00 0.41 H new ATOM 0 HA LEU A 10 -0.846 1.041 9.489 1.00 0.54 H new ATOM 0 HB2 LEU A 10 0.957 2.359 7.753 1.00 0.83 H new ATOM 0 HB3 LEU A 10 -0.604 2.845 7.123 1.00 0.83 H new ATOM 0 HG LEU A 10 0.180 4.421 8.875 1.00 0.96 H new ATOM 0 HD11 LEU A 10 -1.846 4.359 10.303 1.00 1.30 H new ATOM 0 HD12 LEU A 10 -2.252 4.034 8.601 1.00 1.30 H new ATOM 0 HD13 LEU A 10 -2.172 2.693 9.768 1.00 1.30 H new ATOM 0 HD21 LEU A 10 0.361 3.640 11.222 1.00 1.49 H new ATOM 0 HD22 LEU A 10 0.044 1.972 10.691 1.00 1.49 H new ATOM 0 HD23 LEU A 10 1.532 2.802 10.176 1.00 1.49 H new ATOM 148 N VAL A 11 -3.102 1.223 8.410 1.00 0.54 N ATOM 149 CA VAL A 11 -4.450 1.046 7.801 1.00 0.46 C ATOM 150 C VAL A 11 -5.020 2.413 7.417 1.00 0.43 C ATOM 151 O VAL A 11 -4.799 3.397 8.095 1.00 0.54 O ATOM 152 CB VAL A 11 -5.300 0.388 8.892 1.00 0.61 C ATOM 153 CG1 VAL A 11 -5.413 1.326 10.096 1.00 1.39 C ATOM 154 CG2 VAL A 11 -6.697 0.095 8.341 1.00 1.04 C ATOM 0 H VAL A 11 -3.099 1.606 9.355 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.426 0.440 6.895 1.00 0.46 H new ATOM 0 HB VAL A 11 -4.827 -0.543 9.205 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -6.019 0.854 10.870 1.00 1.39 H new ATOM 0 HG12 VAL A 11 -4.418 1.534 10.490 1.00 1.39 H new ATOM 0 HG13 VAL A 11 -5.883 2.260 9.787 1.00 1.39 H new ATOM 0 HG21 VAL A 11 -7.303 -0.373 9.116 1.00 1.04 H new ATOM 0 HG22 VAL A 11 -7.167 1.027 8.027 1.00 1.04 H new ATOM 0 HG23 VAL A 11 -6.618 -0.578 7.487 1.00 1.04 H new ATOM 164 N LEU A 12 -5.741 2.492 6.333 1.00 0.40 N ATOM 165 CA LEU A 12 -6.305 3.808 5.920 1.00 0.45 C ATOM 166 C LEU A 12 -7.829 3.732 5.816 1.00 0.44 C ATOM 167 O LEU A 12 -8.418 2.673 5.908 1.00 0.58 O ATOM 168 CB LEU A 12 -5.688 4.091 4.550 1.00 0.63 C ATOM 169 CG LEU A 12 -4.165 4.142 4.679 1.00 0.76 C ATOM 170 CD1 LEU A 12 -3.545 4.425 3.309 1.00 1.16 C ATOM 171 CD2 LEU A 12 -3.772 5.250 5.658 1.00 0.82 C ATOM 0 H LEU A 12 -5.963 1.708 5.719 1.00 0.40 H new ATOM 0 HA LEU A 12 -6.080 4.593 6.641 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -5.978 3.315 3.841 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -6.063 5.037 4.159 1.00 0.63 H new ATOM 0 HG LEU A 12 -3.800 3.184 5.050 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -2.460 4.461 3.401 1.00 1.16 H new ATOM 0 HD12 LEU A 12 -3.824 3.634 2.613 1.00 1.16 H new ATOM 0 HD13 LEU A 12 -3.910 5.382 2.935 1.00 1.16 H new ATOM 0 HD21 LEU A 12 -2.686 5.286 5.750 1.00 0.82 H new ATOM 0 HD22 LEU A 12 -4.137 6.208 5.289 1.00 0.82 H new ATOM 0 HD23 LEU A 12 -4.212 5.046 6.634 1.00 0.82 H new ATOM 183 N ARG A 13 -8.466 4.852 5.619 1.00 0.47 N ATOM 184 CA ARG A 13 -9.950 4.860 5.503 1.00 0.55 C ATOM 185 C ARG A 13 -10.402 6.017 4.598 1.00 0.54 C ATOM 186 O ARG A 13 -9.747 6.345 3.630 1.00 0.73 O ATOM 187 CB ARG A 13 -10.463 5.028 6.940 1.00 0.69 C ATOM 188 CG ARG A 13 -10.151 6.434 7.458 1.00 1.19 C ATOM 189 CD ARG A 13 -9.610 6.341 8.886 1.00 1.28 C ATOM 190 NE ARG A 13 -10.751 5.823 9.692 1.00 1.86 N ATOM 191 CZ ARG A 13 -11.181 6.495 10.725 1.00 2.30 C ATOM 192 NH1 ARG A 13 -12.017 7.483 10.558 1.00 2.68 N ATOM 193 NH2 ARG A 13 -10.775 6.180 11.925 1.00 2.84 N ATOM 0 H ARG A 13 -8.021 5.766 5.533 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.342 3.949 5.051 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -11.538 4.852 6.972 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -9.999 4.284 7.588 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -9.419 6.918 6.811 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -11.051 7.049 7.438 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -8.751 5.672 8.941 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -9.280 7.315 9.248 1.00 1.28 H new ATOM 0 HE ARG A 13 -11.197 4.942 9.436 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -12.334 7.730 9.620 1.00 2.68 H new ATOM 0 HH12 ARG A 13 -12.353 8.008 11.365 1.00 2.68 H new ATOM 0 HH21 ARG A 13 -10.121 5.408 12.056 1.00 2.84 H new ATOM 0 HH22 ARG A 13 -11.112 6.706 12.732 1.00 2.84 H new ATOM 207 N LYS A 14 -11.518 6.629 4.895 1.00 0.58 N ATOM 208 CA LYS A 14 -12.006 7.750 4.037 1.00 0.63 C ATOM 209 C LYS A 14 -11.298 9.067 4.382 1.00 0.65 C ATOM 210 O LYS A 14 -11.148 9.932 3.544 1.00 0.83 O ATOM 211 CB LYS A 14 -13.500 7.856 4.348 1.00 0.74 C ATOM 212 CG LYS A 14 -14.307 7.216 3.216 1.00 1.26 C ATOM 213 CD LYS A 14 -15.801 7.428 3.471 1.00 1.92 C ATOM 214 CE LYS A 14 -16.461 6.084 3.789 1.00 2.26 C ATOM 215 NZ LYS A 14 -17.867 6.421 4.146 1.00 2.80 N ATOM 0 H LYS A 14 -12.112 6.402 5.693 1.00 0.58 H new ATOM 0 HA LYS A 14 -11.807 7.564 2.982 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -13.721 7.358 5.292 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -13.784 8.902 4.464 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -14.024 7.656 2.260 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -14.085 6.151 3.154 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -15.944 8.121 4.300 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -16.270 7.877 2.596 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -16.422 5.412 2.932 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -15.954 5.580 4.612 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -18.295 5.625 4.661 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -17.879 7.269 4.748 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -18.411 6.605 3.279 1.00 2.80 H new ATOM 229 N SER A 15 -10.880 9.238 5.608 1.00 0.68 N ATOM 230 CA SER A 15 -10.204 10.515 5.990 1.00 0.88 C ATOM 231 C SER A 15 -8.703 10.307 6.226 1.00 0.81 C ATOM 232 O SER A 15 -8.016 11.194 6.694 1.00 1.05 O ATOM 233 CB SER A 15 -10.890 10.945 7.287 1.00 1.10 C ATOM 234 OG SER A 15 -10.296 12.145 7.761 1.00 1.68 O ATOM 0 H SER A 15 -10.976 8.554 6.358 1.00 0.68 H new ATOM 0 HA SER A 15 -10.286 11.263 5.202 1.00 0.88 H new ATOM 0 HB2 SER A 15 -11.955 11.097 7.114 1.00 1.10 H new ATOM 0 HB3 SER A 15 -10.798 10.160 8.037 1.00 1.10 H new ATOM 0 HG SER A 15 -9.322 12.085 7.672 1.00 1.68 H new ATOM 240 N ASN A 16 -8.183 9.153 5.911 1.00 0.65 N ATOM 241 CA ASN A 16 -6.724 8.916 6.126 1.00 0.68 C ATOM 242 C ASN A 16 -6.021 8.680 4.787 1.00 0.55 C ATOM 243 O ASN A 16 -4.846 8.954 4.634 1.00 0.56 O ATOM 244 CB ASN A 16 -6.651 7.657 6.985 1.00 0.87 C ATOM 245 CG ASN A 16 -6.761 8.022 8.462 1.00 0.91 C ATOM 246 OD1 ASN A 16 -6.730 9.182 8.821 1.00 1.74 O ATOM 247 ND2 ASN A 16 -6.888 7.066 9.338 1.00 0.98 N ATOM 0 H ASN A 16 -8.700 8.367 5.516 1.00 0.65 H new ATOM 0 HA ASN A 16 -6.236 9.768 6.599 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -7.454 6.973 6.711 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -5.712 7.136 6.800 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -6.962 7.290 10.330 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -6.914 6.093 9.031 1.00 0.98 H new ATOM 254 N PHE A 17 -6.727 8.166 3.817 1.00 0.55 N ATOM 255 CA PHE A 17 -6.096 7.903 2.491 1.00 0.51 C ATOM 256 C PHE A 17 -5.374 9.155 1.982 1.00 0.46 C ATOM 257 O PHE A 17 -4.162 9.189 1.895 1.00 0.52 O ATOM 258 CB PHE A 17 -7.256 7.534 1.566 1.00 0.56 C ATOM 259 CG PHE A 17 -6.706 7.000 0.267 1.00 0.62 C ATOM 260 CD1 PHE A 17 -6.105 7.871 -0.648 1.00 0.79 C ATOM 261 CD2 PHE A 17 -6.793 5.632 -0.020 1.00 0.78 C ATOM 262 CE1 PHE A 17 -5.591 7.374 -1.852 1.00 0.90 C ATOM 263 CE2 PHE A 17 -6.279 5.136 -1.223 1.00 0.89 C ATOM 264 CZ PHE A 17 -5.678 6.007 -2.139 1.00 0.87 C ATOM 0 H PHE A 17 -7.714 7.917 3.885 1.00 0.55 H new ATOM 0 HA PHE A 17 -5.348 7.112 2.542 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -7.891 6.786 2.040 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -7.879 8.408 1.378 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -6.038 8.926 -0.426 1.00 0.79 H new ATOM 0 HD2 PHE A 17 -7.257 4.960 0.687 1.00 0.78 H new ATOM 0 HE1 PHE A 17 -5.127 8.046 -2.559 1.00 0.90 H new ATOM 0 HE2 PHE A 17 -6.346 4.081 -1.445 1.00 0.89 H new ATOM 0 HZ PHE A 17 -5.281 5.624 -3.068 1.00 0.87 H new ATOM 274 N ALA A 18 -6.102 10.186 1.649 1.00 0.52 N ATOM 275 CA ALA A 18 -5.448 11.430 1.151 1.00 0.66 C ATOM 276 C ALA A 18 -4.401 11.906 2.161 1.00 0.59 C ATOM 277 O ALA A 18 -3.326 12.342 1.799 1.00 0.75 O ATOM 278 CB ALA A 18 -6.580 12.451 1.029 1.00 0.84 C ATOM 0 H ALA A 18 -7.120 10.221 1.700 1.00 0.52 H new ATOM 0 HA ALA A 18 -4.934 11.280 0.202 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -6.179 13.398 0.667 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -7.329 12.082 0.328 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -7.040 12.602 2.005 1.00 0.84 H new ATOM 284 N GLU A 19 -4.707 11.817 3.425 1.00 0.46 N ATOM 285 CA GLU A 19 -3.734 12.253 4.465 1.00 0.49 C ATOM 286 C GLU A 19 -2.428 11.472 4.319 1.00 0.48 C ATOM 287 O GLU A 19 -1.356 12.038 4.243 1.00 0.56 O ATOM 288 CB GLU A 19 -4.409 11.911 5.793 1.00 0.55 C ATOM 289 CG GLU A 19 -3.637 12.564 6.943 1.00 0.69 C ATOM 290 CD GLU A 19 -4.453 12.451 8.232 1.00 1.04 C ATOM 291 OE1 GLU A 19 -5.668 12.412 8.140 1.00 1.78 O ATOM 292 OE2 GLU A 19 -3.847 12.404 9.291 1.00 1.66 O ATOM 0 H GLU A 19 -5.592 11.460 3.784 1.00 0.46 H new ATOM 0 HA GLU A 19 -3.486 13.312 4.388 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -5.441 12.261 5.789 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -4.440 10.830 5.929 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -2.670 12.078 7.068 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -3.440 13.612 6.715 1.00 0.69 H new ATOM 299 N ALA A 20 -2.518 10.173 4.279 1.00 0.45 N ATOM 300 CA ALA A 20 -1.290 9.341 4.140 1.00 0.53 C ATOM 301 C ALA A 20 -0.470 9.803 2.933 1.00 0.57 C ATOM 302 O ALA A 20 0.739 9.898 2.990 1.00 0.71 O ATOM 303 CB ALA A 20 -1.801 7.915 3.929 1.00 0.57 C ATOM 0 H ALA A 20 -3.391 9.649 4.337 1.00 0.45 H new ATOM 0 HA ALA A 20 -0.639 9.416 5.011 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -0.954 7.238 3.817 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -2.398 7.611 4.789 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.416 7.878 3.030 1.00 0.57 H new ATOM 309 N LEU A 21 -1.121 10.090 1.842 1.00 0.55 N ATOM 310 CA LEU A 21 -0.380 10.547 0.630 1.00 0.69 C ATOM 311 C LEU A 21 0.262 11.908 0.894 1.00 0.75 C ATOM 312 O LEU A 21 1.426 12.123 0.621 1.00 0.92 O ATOM 313 CB LEU A 21 -1.438 10.651 -0.474 1.00 0.74 C ATOM 314 CG LEU A 21 -2.154 9.304 -0.643 1.00 0.84 C ATOM 315 CD1 LEU A 21 -3.108 9.382 -1.836 1.00 0.90 C ATOM 316 CD2 LEU A 21 -1.128 8.197 -0.893 1.00 1.44 C ATOM 0 H LEU A 21 -2.133 10.029 1.735 1.00 0.55 H new ATOM 0 HA LEU A 21 0.423 9.864 0.353 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -2.161 11.428 -0.224 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -0.968 10.943 -1.413 1.00 0.74 H new ATOM 0 HG LEU A 21 -2.714 9.080 0.265 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -3.617 8.426 -1.958 1.00 0.90 H new ATOM 0 HD12 LEU A 21 -3.845 10.166 -1.662 1.00 0.90 H new ATOM 0 HD13 LEU A 21 -2.543 9.609 -2.740 1.00 0.90 H new ATOM 0 HD21 LEU A 21 -1.643 7.244 -1.012 1.00 1.44 H new ATOM 0 HD22 LEU A 21 -0.565 8.421 -1.799 1.00 1.44 H new ATOM 0 HD23 LEU A 21 -0.444 8.137 -0.046 1.00 1.44 H new ATOM 328 N ALA A 22 -0.490 12.824 1.426 1.00 0.71 N ATOM 329 CA ALA A 22 0.070 14.174 1.718 1.00 0.85 C ATOM 330 C ALA A 22 1.034 14.098 2.905 1.00 0.89 C ATOM 331 O ALA A 22 1.885 14.948 3.081 1.00 1.08 O ATOM 332 CB ALA A 22 -1.144 15.036 2.066 1.00 1.00 C ATOM 0 H ALA A 22 -1.472 12.699 1.673 1.00 0.71 H new ATOM 0 HA ALA A 22 0.632 14.582 0.878 1.00 0.85 H new ATOM 0 HB1 ALA A 22 -0.817 16.050 2.295 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -1.829 15.059 1.219 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -1.653 14.615 2.933 1.00 1.00 H new ATOM 338 N ALA A 23 0.908 13.087 3.721 1.00 0.86 N ATOM 339 CA ALA A 23 1.816 12.955 4.896 1.00 0.93 C ATOM 340 C ALA A 23 3.268 12.803 4.434 1.00 0.85 C ATOM 341 O ALA A 23 4.116 13.617 4.744 1.00 0.95 O ATOM 342 CB ALA A 23 1.349 11.691 5.620 1.00 1.05 C ATOM 0 H ALA A 23 0.214 12.346 3.624 1.00 0.86 H new ATOM 0 HA ALA A 23 1.781 13.832 5.542 1.00 0.93 H new ATOM 0 HB1 ALA A 23 1.971 11.525 6.500 1.00 1.05 H new ATOM 0 HB2 ALA A 23 0.310 11.810 5.927 1.00 1.05 H new ATOM 0 HB3 ALA A 23 1.433 10.836 4.950 1.00 1.05 H new ATOM 348 N HIS A 24 3.563 11.766 3.698 1.00 0.83 N ATOM 349 CA HIS A 24 4.961 11.566 3.222 1.00 0.84 C ATOM 350 C HIS A 24 5.016 11.622 1.693 1.00 0.82 C ATOM 351 O HIS A 24 4.153 12.189 1.052 1.00 1.30 O ATOM 352 CB HIS A 24 5.356 10.176 3.726 1.00 0.95 C ATOM 353 CG HIS A 24 6.520 10.298 4.672 1.00 1.22 C ATOM 354 ND1 HIS A 24 7.589 9.417 4.646 1.00 1.80 N ATOM 355 CD2 HIS A 24 6.796 11.194 5.675 1.00 1.84 C ATOM 356 CE1 HIS A 24 8.451 9.798 5.607 1.00 2.04 C ATOM 357 NE2 HIS A 24 8.017 10.876 6.263 1.00 2.00 N ATOM 0 H HIS A 24 2.898 11.050 3.406 1.00 0.83 H new ATOM 0 HA HIS A 24 5.636 12.339 3.589 1.00 0.84 H new ATOM 0 HB2 HIS A 24 4.511 9.707 4.230 1.00 0.95 H new ATOM 0 HB3 HIS A 24 5.622 9.535 2.886 1.00 0.95 H new ATOM 0 HD1 HIS A 24 7.702 8.624 4.014 1.00 1.80 H new ATOM 0 HD2 HIS A 24 6.162 12.020 5.964 1.00 1.84 H new ATOM 0 HE1 HIS A 24 9.381 9.293 5.821 1.00 2.04 H new ATOM 365 N LYS A 25 6.026 11.042 1.104 1.00 0.72 N ATOM 366 CA LYS A 25 6.136 11.067 -0.384 1.00 0.69 C ATOM 367 C LYS A 25 5.629 9.752 -0.983 1.00 0.59 C ATOM 368 O LYS A 25 4.626 9.717 -1.666 1.00 0.68 O ATOM 369 CB LYS A 25 7.630 11.243 -0.666 1.00 0.81 C ATOM 370 CG LYS A 25 7.855 12.548 -1.433 1.00 1.20 C ATOM 371 CD LYS A 25 8.983 13.341 -0.770 1.00 1.51 C ATOM 372 CE LYS A 25 8.467 13.982 0.519 1.00 2.06 C ATOM 373 NZ LYS A 25 9.093 15.333 0.554 1.00 2.47 N ATOM 0 H LYS A 25 6.779 10.552 1.587 1.00 0.72 H new ATOM 0 HA LYS A 25 5.537 11.864 -0.826 1.00 0.69 H new ATOM 0 HB2 LYS A 25 8.188 11.258 0.270 1.00 0.81 H new ATOM 0 HB3 LYS A 25 8.003 10.399 -1.246 1.00 0.81 H new ATOM 0 HG2 LYS A 25 8.108 12.333 -2.471 1.00 1.20 H new ATOM 0 HG3 LYS A 25 6.939 13.138 -1.444 1.00 1.20 H new ATOM 0 HD2 LYS A 25 9.824 12.683 -0.550 1.00 1.51 H new ATOM 0 HD3 LYS A 25 9.349 14.110 -1.450 1.00 1.51 H new ATOM 0 HE2 LYS A 25 7.379 14.051 0.518 1.00 2.06 H new ATOM 0 HE3 LYS A 25 8.748 13.394 1.393 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 8.786 15.836 1.411 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 10.128 15.236 0.561 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 8.802 15.872 -0.286 1.00 2.47 H new ATOM 387 N TYR A 26 6.313 8.670 -0.737 1.00 0.52 N ATOM 388 CA TYR A 26 5.864 7.362 -1.302 1.00 0.48 C ATOM 389 C TYR A 26 4.830 6.720 -0.376 1.00 0.46 C ATOM 390 O TYR A 26 5.088 6.490 0.789 1.00 0.53 O ATOM 391 CB TYR A 26 7.125 6.495 -1.377 1.00 0.56 C ATOM 392 CG TYR A 26 8.219 7.240 -2.106 1.00 0.65 C ATOM 393 CD1 TYR A 26 7.958 7.821 -3.353 1.00 0.75 C ATOM 394 CD2 TYR A 26 9.495 7.347 -1.537 1.00 1.08 C ATOM 395 CE1 TYR A 26 8.970 8.508 -4.031 1.00 0.87 C ATOM 396 CE2 TYR A 26 10.507 8.036 -2.216 1.00 1.31 C ATOM 397 CZ TYR A 26 10.246 8.624 -3.452 1.00 1.08 C ATOM 398 OH TYR A 26 11.242 9.296 -4.132 1.00 1.33 O ATOM 0 H TYR A 26 7.161 8.632 -0.171 1.00 0.52 H new ATOM 0 HA TYR A 26 5.396 7.477 -2.280 1.00 0.48 H new ATOM 0 HB2 TYR A 26 7.458 6.234 -0.372 1.00 0.56 H new ATOM 0 HB3 TYR A 26 6.904 5.560 -1.892 1.00 0.56 H new ATOM 0 HD1 TYR A 26 6.974 7.739 -3.792 1.00 0.75 H new ATOM 0 HD2 TYR A 26 9.698 6.898 -0.576 1.00 1.08 H new ATOM 0 HE1 TYR A 26 8.772 8.948 -4.997 1.00 0.87 H new ATOM 0 HE2 TYR A 26 11.492 8.112 -1.781 1.00 1.31 H new ATOM 0 HH TYR A 26 12.064 9.289 -3.599 1.00 1.33 H new ATOM 408 N LEU A 27 3.661 6.429 -0.877 1.00 0.46 N ATOM 409 CA LEU A 27 2.624 5.804 -0.007 1.00 0.45 C ATOM 410 C LEU A 27 2.072 4.534 -0.647 1.00 0.40 C ATOM 411 O LEU A 27 1.601 4.546 -1.767 1.00 0.50 O ATOM 412 CB LEU A 27 1.501 6.840 0.105 1.00 0.51 C ATOM 413 CG LEU A 27 1.663 7.683 1.372 1.00 0.77 C ATOM 414 CD1 LEU A 27 1.783 6.781 2.606 1.00 0.66 C ATOM 415 CD2 LEU A 27 2.915 8.549 1.243 1.00 1.93 C ATOM 0 H LEU A 27 3.380 6.595 -1.843 1.00 0.46 H new ATOM 0 HA LEU A 27 3.040 5.530 0.962 1.00 0.45 H new ATOM 0 HB2 LEU A 27 1.509 7.488 -0.772 1.00 0.51 H new ATOM 0 HB3 LEU A 27 0.535 6.335 0.120 1.00 0.51 H new ATOM 0 HG LEU A 27 0.785 8.318 1.491 1.00 0.77 H new ATOM 0 HD11 LEU A 27 1.898 7.398 3.498 1.00 0.66 H new ATOM 0 HD12 LEU A 27 0.885 6.171 2.700 1.00 0.66 H new ATOM 0 HD13 LEU A 27 2.652 6.132 2.499 1.00 0.66 H new ATOM 0 HD21 LEU A 27 3.035 9.152 2.143 1.00 1.93 H new ATOM 0 HD22 LEU A 27 3.788 7.909 1.116 1.00 1.93 H new ATOM 0 HD23 LEU A 27 2.816 9.205 0.378 1.00 1.93 H new ATOM 427 N LEU A 28 2.095 3.445 0.065 1.00 0.33 N ATOM 428 CA LEU A 28 1.534 2.189 -0.497 1.00 0.32 C ATOM 429 C LEU A 28 0.177 1.922 0.146 1.00 0.29 C ATOM 430 O LEU A 28 0.031 1.965 1.350 1.00 0.35 O ATOM 431 CB LEU A 28 2.536 1.090 -0.142 1.00 0.40 C ATOM 432 CG LEU A 28 2.836 0.253 -1.386 1.00 0.53 C ATOM 433 CD1 LEU A 28 1.550 -0.419 -1.872 1.00 1.12 C ATOM 434 CD2 LEU A 28 3.385 1.161 -2.487 1.00 0.73 C ATOM 0 H LEU A 28 2.476 3.370 1.008 1.00 0.33 H new ATOM 0 HA LEU A 28 1.384 2.240 -1.575 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.455 1.532 0.243 1.00 0.40 H new ATOM 0 HB3 LEU A 28 2.132 0.456 0.647 1.00 0.40 H new ATOM 0 HG LEU A 28 3.574 -0.511 -1.142 1.00 0.53 H new ATOM 0 HD11 LEU A 28 1.764 -1.016 -2.759 1.00 1.12 H new ATOM 0 HD12 LEU A 28 1.157 -1.065 -1.086 1.00 1.12 H new ATOM 0 HD13 LEU A 28 0.811 0.344 -2.118 1.00 1.12 H new ATOM 0 HD21 LEU A 28 3.600 0.567 -3.375 1.00 0.73 H new ATOM 0 HD22 LEU A 28 2.646 1.924 -2.731 1.00 0.73 H new ATOM 0 HD23 LEU A 28 4.301 1.640 -2.141 1.00 0.73 H new ATOM 446 N VAL A 29 -0.821 1.666 -0.644 1.00 0.32 N ATOM 447 CA VAL A 29 -2.174 1.416 -0.073 1.00 0.32 C ATOM 448 C VAL A 29 -2.955 0.472 -0.993 1.00 0.34 C ATOM 449 O VAL A 29 -3.056 0.683 -2.185 1.00 0.47 O ATOM 450 CB VAL A 29 -2.834 2.806 0.031 1.00 0.40 C ATOM 451 CG1 VAL A 29 -2.636 3.596 -1.268 1.00 0.77 C ATOM 452 CG2 VAL A 29 -4.330 2.661 0.316 1.00 0.37 C ATOM 0 H VAL A 29 -0.762 1.618 -1.661 1.00 0.32 H new ATOM 0 HA VAL A 29 -2.143 0.933 0.904 1.00 0.32 H new ATOM 0 HB VAL A 29 -2.361 3.347 0.850 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -3.109 4.574 -1.175 1.00 0.77 H new ATOM 0 HG12 VAL A 29 -1.570 3.725 -1.457 1.00 0.77 H new ATOM 0 HG13 VAL A 29 -3.088 3.052 -2.097 1.00 0.77 H new ATOM 0 HG21 VAL A 29 -4.784 3.649 0.387 1.00 0.37 H new ATOM 0 HG22 VAL A 29 -4.802 2.102 -0.492 1.00 0.37 H new ATOM 0 HG23 VAL A 29 -4.471 2.128 1.256 1.00 0.37 H new ATOM 462 N GLU A 30 -3.490 -0.583 -0.440 1.00 0.32 N ATOM 463 CA GLU A 30 -4.246 -1.567 -1.264 1.00 0.39 C ATOM 464 C GLU A 30 -5.697 -1.665 -0.780 1.00 0.36 C ATOM 465 O GLU A 30 -5.993 -1.449 0.377 1.00 0.42 O ATOM 466 CB GLU A 30 -3.507 -2.887 -1.038 1.00 0.52 C ATOM 467 CG GLU A 30 -4.242 -4.035 -1.735 1.00 0.64 C ATOM 468 CD GLU A 30 -3.896 -5.349 -1.034 1.00 0.89 C ATOM 469 OE1 GLU A 30 -2.745 -5.747 -1.095 1.00 1.48 O ATOM 470 OE2 GLU A 30 -4.789 -5.936 -0.446 1.00 1.60 O ATOM 0 H GLU A 30 -3.435 -0.806 0.554 1.00 0.32 H new ATOM 0 HA GLU A 30 -4.292 -1.291 -2.318 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -2.489 -2.812 -1.421 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -3.431 -3.091 0.030 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -5.318 -3.865 -1.706 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -3.955 -4.082 -2.786 1.00 0.64 H new ATOM 477 N PHE A 31 -6.601 -1.996 -1.663 1.00 0.35 N ATOM 478 CA PHE A 31 -8.032 -2.118 -1.264 1.00 0.36 C ATOM 479 C PHE A 31 -8.416 -3.596 -1.129 1.00 0.39 C ATOM 480 O PHE A 31 -8.513 -4.308 -2.108 1.00 0.49 O ATOM 481 CB PHE A 31 -8.807 -1.474 -2.413 1.00 0.41 C ATOM 482 CG PHE A 31 -8.583 0.019 -2.407 1.00 0.38 C ATOM 483 CD1 PHE A 31 -7.336 0.542 -2.771 1.00 0.45 C ATOM 484 CD2 PHE A 31 -9.624 0.880 -2.043 1.00 0.53 C ATOM 485 CE1 PHE A 31 -7.131 1.927 -2.771 1.00 0.52 C ATOM 486 CE2 PHE A 31 -9.420 2.265 -2.043 1.00 0.59 C ATOM 487 CZ PHE A 31 -8.173 2.789 -2.407 1.00 0.53 C ATOM 0 H PHE A 31 -6.409 -2.188 -2.646 1.00 0.35 H new ATOM 0 HA PHE A 31 -8.240 -1.644 -0.305 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -8.483 -1.896 -3.364 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -9.870 -1.692 -2.314 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -6.533 -0.123 -3.052 1.00 0.45 H new ATOM 0 HD2 PHE A 31 -10.585 0.476 -1.762 1.00 0.53 H new ATOM 0 HE1 PHE A 31 -6.169 2.331 -3.052 1.00 0.52 H new ATOM 0 HE2 PHE A 31 -10.224 2.929 -1.762 1.00 0.59 H new ATOM 0 HZ PHE A 31 -8.015 3.857 -2.407 1.00 0.53 H new ATOM 497 N TYR A 32 -8.639 -4.065 0.070 1.00 0.37 N ATOM 498 CA TYR A 32 -9.016 -5.500 0.239 1.00 0.44 C ATOM 499 C TYR A 32 -10.338 -5.625 1.011 1.00 0.40 C ATOM 500 O TYR A 32 -10.893 -4.650 1.476 1.00 0.45 O ATOM 501 CB TYR A 32 -7.849 -6.137 1.014 1.00 0.54 C ATOM 502 CG TYR A 32 -7.871 -5.708 2.466 1.00 0.54 C ATOM 503 CD1 TYR A 32 -7.195 -4.546 2.860 1.00 0.58 C ATOM 504 CD2 TYR A 32 -8.563 -6.469 3.414 1.00 0.66 C ATOM 505 CE1 TYR A 32 -7.212 -4.146 4.201 1.00 0.67 C ATOM 506 CE2 TYR A 32 -8.580 -6.069 4.756 1.00 0.79 C ATOM 507 CZ TYR A 32 -7.918 -4.923 5.154 1.00 0.77 C ATOM 508 OH TYR A 32 -7.923 -4.513 6.472 1.00 0.94 O ATOM 0 H TYR A 32 -8.577 -3.523 0.932 1.00 0.37 H new ATOM 0 HA TYR A 32 -9.177 -5.998 -0.717 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -7.914 -7.223 0.950 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -6.902 -5.847 0.558 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -6.660 -3.958 2.128 1.00 0.58 H new ATOM 0 HD2 TYR A 32 -9.084 -7.365 3.111 1.00 0.66 H new ATOM 0 HE1 TYR A 32 -6.691 -3.251 4.508 1.00 0.67 H new ATOM 0 HE2 TYR A 32 -9.114 -6.660 5.485 1.00 0.79 H new ATOM 0 HH TYR A 32 -8.512 -3.736 6.571 1.00 0.94 H new ATOM 518 N ALA A 33 -10.839 -6.822 1.148 1.00 0.40 N ATOM 519 CA ALA A 33 -12.119 -7.018 1.888 1.00 0.44 C ATOM 520 C ALA A 33 -11.960 -8.139 2.922 1.00 0.53 C ATOM 521 O ALA A 33 -11.015 -8.900 2.866 1.00 0.56 O ATOM 522 CB ALA A 33 -13.137 -7.419 0.819 1.00 0.49 C ATOM 0 H ALA A 33 -10.417 -7.674 0.779 1.00 0.40 H new ATOM 0 HA ALA A 33 -12.427 -6.123 2.429 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -14.109 -7.582 1.285 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -13.219 -6.624 0.078 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -12.810 -8.337 0.331 1.00 0.49 H new ATOM 528 N PRO A 34 -12.891 -8.211 3.838 1.00 0.63 N ATOM 529 CA PRO A 34 -12.842 -9.262 4.884 1.00 0.78 C ATOM 530 C PRO A 34 -13.093 -10.649 4.274 1.00 0.82 C ATOM 531 O PRO A 34 -12.935 -11.659 4.929 1.00 0.96 O ATOM 532 CB PRO A 34 -13.966 -8.870 5.840 1.00 0.90 C ATOM 533 CG PRO A 34 -14.908 -8.062 5.007 1.00 0.81 C ATOM 534 CD PRO A 34 -14.068 -7.344 3.987 1.00 0.66 C ATOM 0 HA PRO A 34 -11.873 -9.327 5.379 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -14.459 -9.750 6.254 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -13.586 -8.291 6.682 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -15.644 -8.703 4.522 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -15.460 -7.353 5.623 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -14.599 -7.223 3.043 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -13.791 -6.346 4.326 1.00 0.66 H new ATOM 542 N TRP A 35 -13.481 -10.711 3.024 1.00 0.74 N ATOM 543 CA TRP A 35 -13.735 -12.038 2.390 1.00 0.83 C ATOM 544 C TRP A 35 -13.021 -12.144 1.034 1.00 0.78 C ATOM 545 O TRP A 35 -13.198 -13.102 0.309 1.00 0.92 O ATOM 546 CB TRP A 35 -15.252 -12.106 2.202 1.00 0.91 C ATOM 547 CG TRP A 35 -15.710 -10.951 1.367 1.00 0.87 C ATOM 548 CD1 TRP A 35 -16.189 -9.784 1.854 1.00 0.84 C ATOM 549 CD2 TRP A 35 -15.745 -10.833 -0.085 1.00 1.25 C ATOM 550 NE1 TRP A 35 -16.515 -8.956 0.795 1.00 0.85 N ATOM 551 CE2 TRP A 35 -16.260 -9.558 -0.421 1.00 1.19 C ATOM 552 CE3 TRP A 35 -15.385 -11.699 -1.133 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -16.411 -9.156 -1.748 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -15.537 -11.298 -2.472 1.00 2.36 C ATOM 555 CH2 TRP A 35 -16.048 -10.028 -2.777 1.00 2.26 C ATOM 0 H TRP A 35 -13.632 -9.904 2.419 1.00 0.74 H new ATOM 0 HA TRP A 35 -13.359 -12.857 3.003 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -15.527 -13.045 1.722 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -15.749 -12.086 3.172 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -16.299 -9.538 2.900 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -16.897 -8.016 0.900 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -14.989 -12.678 -0.908 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -16.806 -8.177 -1.978 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -15.259 -11.971 -3.269 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -16.161 -9.724 -3.807 1.00 2.26 H new ATOM 566 N CYS A 36 -12.217 -11.174 0.681 1.00 0.65 N ATOM 567 CA CYS A 36 -11.504 -11.239 -0.628 1.00 0.67 C ATOM 568 C CYS A 36 -10.680 -12.526 -0.722 1.00 0.84 C ATOM 569 O CYS A 36 -10.057 -12.947 0.232 1.00 1.63 O ATOM 570 CB CYS A 36 -10.581 -10.019 -0.637 1.00 0.58 C ATOM 571 SG CYS A 36 -9.475 -10.085 0.794 1.00 1.07 S ATOM 0 H CYS A 36 -12.025 -10.343 1.241 1.00 0.65 H new ATOM 0 HA CYS A 36 -12.195 -11.239 -1.471 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -9.999 -9.997 -1.558 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -11.172 -9.103 -0.611 1.00 0.58 H new ATOM 576 N GLY A 37 -10.663 -13.152 -1.869 1.00 0.96 N ATOM 577 CA GLY A 37 -9.871 -14.406 -2.022 1.00 1.08 C ATOM 578 C GLY A 37 -8.414 -14.122 -1.650 1.00 1.00 C ATOM 579 O GLY A 37 -7.983 -12.988 -1.631 1.00 1.83 O ATOM 0 H GLY A 37 -11.163 -12.849 -2.705 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -10.278 -15.189 -1.382 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -9.934 -14.769 -3.048 1.00 1.08 H new ATOM 583 N HIS A 38 -7.651 -15.138 -1.350 1.00 0.89 N ATOM 584 CA HIS A 38 -6.225 -14.906 -0.977 1.00 0.97 C ATOM 585 C HIS A 38 -6.145 -13.881 0.172 1.00 0.88 C ATOM 586 O HIS A 38 -6.625 -14.142 1.257 1.00 1.13 O ATOM 587 CB HIS A 38 -5.568 -14.389 -2.261 1.00 1.32 C ATOM 588 CG HIS A 38 -5.493 -15.506 -3.265 1.00 1.72 C ATOM 589 ND1 HIS A 38 -4.608 -16.565 -3.129 1.00 2.39 N ATOM 590 CD2 HIS A 38 -6.185 -15.744 -4.426 1.00 2.35 C ATOM 591 CE1 HIS A 38 -4.790 -17.383 -4.181 1.00 2.85 C ATOM 592 NE2 HIS A 38 -5.740 -16.929 -5.003 1.00 2.87 N ATOM 0 H HIS A 38 -7.950 -16.113 -1.347 1.00 0.89 H new ATOM 0 HA HIS A 38 -5.722 -15.802 -0.614 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -6.143 -13.557 -2.668 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -4.569 -14.011 -2.045 1.00 1.32 H new ATOM 0 HD2 HIS A 38 -6.958 -15.108 -4.831 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -4.236 -18.296 -4.342 1.00 2.85 H new ATOM 0 HE2 HIS A 38 -6.068 -17.359 -5.868 1.00 2.87 H new ATOM 600 N CYS A 39 -5.522 -12.736 -0.034 1.00 0.79 N ATOM 601 CA CYS A 39 -5.397 -11.726 1.055 1.00 0.88 C ATOM 602 C CYS A 39 -4.630 -12.334 2.224 1.00 0.82 C ATOM 603 O CYS A 39 -4.647 -11.826 3.327 1.00 1.00 O ATOM 604 CB CYS A 39 -6.823 -11.357 1.465 1.00 1.08 C ATOM 605 SG CYS A 39 -7.712 -10.694 0.034 1.00 1.00 S ATOM 0 H CYS A 39 -5.095 -12.465 -0.920 1.00 0.79 H new ATOM 0 HA CYS A 39 -4.852 -10.839 0.732 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -7.340 -12.235 1.852 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -6.803 -10.619 2.267 1.00 1.08 H new ATOM 610 N LYS A 40 -3.945 -13.417 1.981 1.00 0.78 N ATOM 611 CA LYS A 40 -3.162 -14.061 3.058 1.00 0.94 C ATOM 612 C LYS A 40 -1.819 -14.524 2.496 1.00 0.84 C ATOM 613 O LYS A 40 -0.778 -14.326 3.090 1.00 0.94 O ATOM 614 CB LYS A 40 -3.996 -15.263 3.512 1.00 1.21 C ATOM 615 CG LYS A 40 -5.258 -14.784 4.234 1.00 1.56 C ATOM 616 CD LYS A 40 -6.449 -15.635 3.790 1.00 2.11 C ATOM 617 CE LYS A 40 -7.748 -14.871 4.047 1.00 2.72 C ATOM 618 NZ LYS A 40 -8.818 -15.730 3.468 1.00 3.29 N ATOM 0 H LYS A 40 -3.897 -13.882 1.075 1.00 0.78 H new ATOM 0 HA LYS A 40 -2.960 -13.384 3.888 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -4.269 -15.872 2.650 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -3.406 -15.895 4.175 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -5.124 -14.860 5.313 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -5.443 -13.734 4.009 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -6.361 -15.878 2.731 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -6.457 -16.580 4.334 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -7.906 -14.708 5.113 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -7.730 -13.889 3.573 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -9.742 -15.273 3.605 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -8.645 -15.863 2.451 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -8.816 -16.655 3.943 1.00 3.29 H new ATOM 632 N ALA A 41 -1.843 -15.133 1.343 1.00 0.77 N ATOM 633 CA ALA A 41 -0.579 -15.610 0.713 1.00 0.86 C ATOM 634 C ALA A 41 0.439 -14.466 0.650 1.00 0.75 C ATOM 635 O ALA A 41 1.633 -14.683 0.605 1.00 0.90 O ATOM 636 CB ALA A 41 -0.988 -16.050 -0.694 1.00 0.93 C ATOM 0 H ALA A 41 -2.690 -15.322 0.806 1.00 0.77 H new ATOM 0 HA ALA A 41 -0.110 -16.420 1.272 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -0.112 -16.417 -1.229 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -1.731 -16.845 -0.625 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -1.413 -15.202 -1.231 1.00 0.93 H new ATOM 642 N LEU A 42 -0.031 -13.247 0.652 1.00 0.65 N ATOM 643 CA LEU A 42 0.901 -12.083 0.601 1.00 0.67 C ATOM 644 C LEU A 42 0.742 -11.212 1.856 1.00 0.63 C ATOM 645 O LEU A 42 1.254 -10.112 1.926 1.00 0.70 O ATOM 646 CB LEU A 42 0.489 -11.304 -0.649 1.00 0.82 C ATOM 647 CG LEU A 42 1.711 -10.593 -1.233 1.00 0.86 C ATOM 648 CD1 LEU A 42 2.599 -11.610 -1.954 1.00 1.24 C ATOM 649 CD2 LEU A 42 1.252 -9.523 -2.227 1.00 1.37 C ATOM 0 H LEU A 42 -1.022 -13.007 0.687 1.00 0.65 H new ATOM 0 HA LEU A 42 1.945 -12.393 0.565 1.00 0.67 H new ATOM 0 HB2 LEU A 42 0.061 -11.981 -1.388 1.00 0.82 H new ATOM 0 HB3 LEU A 42 -0.283 -10.577 -0.399 1.00 0.82 H new ATOM 0 HG LEU A 42 2.276 -10.124 -0.428 1.00 0.86 H new ATOM 0 HD11 LEU A 42 3.469 -11.103 -2.370 1.00 1.24 H new ATOM 0 HD12 LEU A 42 2.927 -12.373 -1.247 1.00 1.24 H new ATOM 0 HD13 LEU A 42 2.034 -12.080 -2.759 1.00 1.24 H new ATOM 0 HD21 LEU A 42 2.122 -9.016 -2.643 1.00 1.37 H new ATOM 0 HD22 LEU A 42 0.686 -9.993 -3.032 1.00 1.37 H new ATOM 0 HD23 LEU A 42 0.620 -8.797 -1.715 1.00 1.37 H new ATOM 661 N ALA A 43 0.038 -11.694 2.847 1.00 0.71 N ATOM 662 CA ALA A 43 -0.151 -10.898 4.092 1.00 0.73 C ATOM 663 C ALA A 43 1.176 -10.755 4.850 1.00 0.67 C ATOM 664 O ALA A 43 1.605 -9.655 5.134 1.00 0.65 O ATOM 665 CB ALA A 43 -1.156 -11.697 4.922 1.00 0.88 C ATOM 0 H ALA A 43 -0.415 -12.608 2.846 1.00 0.71 H new ATOM 0 HA ALA A 43 -0.501 -9.888 3.881 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -1.350 -11.176 5.859 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -2.087 -11.800 4.365 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -0.748 -12.685 5.134 1.00 0.88 H new ATOM 671 N PRO A 44 1.790 -11.874 5.161 1.00 0.69 N ATOM 672 CA PRO A 44 3.078 -11.846 5.899 1.00 0.70 C ATOM 673 C PRO A 44 4.217 -11.350 5.000 1.00 0.59 C ATOM 674 O PRO A 44 5.328 -11.152 5.450 1.00 0.65 O ATOM 675 CB PRO A 44 3.294 -13.301 6.305 1.00 0.83 C ATOM 676 CG PRO A 44 2.518 -14.100 5.308 1.00 0.84 C ATOM 677 CD PRO A 44 1.354 -13.251 4.869 1.00 0.76 C ATOM 0 HA PRO A 44 3.060 -11.168 6.753 1.00 0.70 H new ATOM 0 HB2 PRO A 44 4.352 -13.564 6.284 1.00 0.83 H new ATOM 0 HB3 PRO A 44 2.940 -13.484 7.319 1.00 0.83 H new ATOM 0 HG2 PRO A 44 3.144 -14.365 4.456 1.00 0.84 H new ATOM 0 HG3 PRO A 44 2.169 -15.033 5.750 1.00 0.84 H new ATOM 0 HD2 PRO A 44 1.139 -13.386 3.809 1.00 0.76 H new ATOM 0 HD3 PRO A 44 0.445 -13.506 5.414 1.00 0.76 H new ATOM 685 N GLU A 45 3.952 -11.128 3.741 1.00 0.53 N ATOM 686 CA GLU A 45 5.020 -10.627 2.834 1.00 0.46 C ATOM 687 C GLU A 45 4.905 -9.109 2.741 1.00 0.41 C ATOM 688 O GLU A 45 5.883 -8.389 2.780 1.00 0.47 O ATOM 689 CB GLU A 45 4.727 -11.279 1.483 1.00 0.48 C ATOM 690 CG GLU A 45 4.718 -12.800 1.643 1.00 0.61 C ATOM 691 CD GLU A 45 3.330 -13.342 1.297 1.00 1.12 C ATOM 692 OE1 GLU A 45 3.077 -13.559 0.123 1.00 1.83 O ATOM 693 OE2 GLU A 45 2.544 -13.532 2.210 1.00 1.90 O ATOM 0 H GLU A 45 3.042 -11.272 3.303 1.00 0.53 H new ATOM 0 HA GLU A 45 6.027 -10.864 3.177 1.00 0.46 H new ATOM 0 HB2 GLU A 45 3.764 -10.937 1.103 1.00 0.48 H new ATOM 0 HB3 GLU A 45 5.481 -10.984 0.753 1.00 0.48 H new ATOM 0 HG2 GLU A 45 5.468 -13.249 0.992 1.00 0.61 H new ATOM 0 HG3 GLU A 45 4.981 -13.070 2.666 1.00 0.61 H new ATOM 700 N TYR A 46 3.702 -8.623 2.640 1.00 0.43 N ATOM 701 CA TYR A 46 3.482 -7.155 2.564 1.00 0.48 C ATOM 702 C TYR A 46 3.703 -6.539 3.958 1.00 0.52 C ATOM 703 O TYR A 46 3.984 -5.364 4.089 1.00 0.69 O ATOM 704 CB TYR A 46 2.020 -7.032 2.076 1.00 0.64 C ATOM 705 CG TYR A 46 1.332 -5.812 2.658 1.00 0.72 C ATOM 706 CD1 TYR A 46 1.487 -4.572 2.029 1.00 1.02 C ATOM 707 CD2 TYR A 46 0.543 -5.920 3.812 1.00 1.03 C ATOM 708 CE1 TYR A 46 0.855 -3.439 2.551 1.00 1.38 C ATOM 709 CE2 TYR A 46 -0.089 -4.786 4.333 1.00 1.39 C ATOM 710 CZ TYR A 46 0.058 -3.577 3.759 1.00 1.50 C ATOM 711 OH TYR A 46 -0.558 -2.427 4.213 1.00 1.95 O ATOM 0 H TYR A 46 2.853 -9.187 2.607 1.00 0.43 H new ATOM 0 HA TYR A 46 4.163 -6.626 1.897 1.00 0.48 H new ATOM 0 HB2 TYR A 46 2.004 -6.974 0.988 1.00 0.64 H new ATOM 0 HB3 TYR A 46 1.467 -7.929 2.355 1.00 0.64 H new ATOM 0 HD1 TYR A 46 2.095 -4.490 1.140 1.00 1.02 H new ATOM 0 HD2 TYR A 46 0.423 -6.877 4.298 1.00 1.03 H new ATOM 0 HE1 TYR A 46 0.957 -2.480 2.066 1.00 1.38 H new ATOM 0 HE2 TYR A 46 -0.707 -4.882 5.213 1.00 1.39 H new ATOM 0 HH TYR A 46 -1.428 -2.654 4.604 1.00 1.95 H new ATOM 721 N ALA A 47 3.575 -7.324 4.994 1.00 0.53 N ATOM 722 CA ALA A 47 3.776 -6.784 6.369 1.00 0.62 C ATOM 723 C ALA A 47 5.251 -6.876 6.773 1.00 0.58 C ATOM 724 O ALA A 47 5.689 -6.230 7.703 1.00 0.68 O ATOM 725 CB ALA A 47 2.918 -7.671 7.270 1.00 0.73 C ATOM 0 H ALA A 47 3.340 -8.315 4.947 1.00 0.53 H new ATOM 0 HA ALA A 47 3.497 -5.733 6.441 1.00 0.62 H new ATOM 0 HB1 ALA A 47 3.011 -7.338 8.304 1.00 0.73 H new ATOM 0 HB2 ALA A 47 1.875 -7.604 6.960 1.00 0.73 H new ATOM 0 HB3 ALA A 47 3.255 -8.705 7.190 1.00 0.73 H new ATOM 731 N LYS A 48 6.021 -7.676 6.084 1.00 0.51 N ATOM 732 CA LYS A 48 7.464 -7.804 6.436 1.00 0.55 C ATOM 733 C LYS A 48 8.287 -6.743 5.700 1.00 0.53 C ATOM 734 O LYS A 48 9.342 -6.340 6.149 1.00 0.65 O ATOM 735 CB LYS A 48 7.861 -9.206 5.975 1.00 0.60 C ATOM 736 CG LYS A 48 8.380 -10.010 7.169 1.00 1.03 C ATOM 737 CD LYS A 48 7.230 -10.810 7.783 1.00 1.41 C ATOM 738 CE LYS A 48 7.320 -10.746 9.310 1.00 1.92 C ATOM 739 NZ LYS A 48 7.567 -12.150 9.738 1.00 2.47 N ATOM 0 H LYS A 48 5.714 -8.245 5.295 1.00 0.51 H new ATOM 0 HA LYS A 48 7.643 -7.659 7.501 1.00 0.55 H new ATOM 0 HB2 LYS A 48 7.003 -9.710 5.529 1.00 0.60 H new ATOM 0 HB3 LYS A 48 8.629 -9.143 5.204 1.00 0.60 H new ATOM 0 HG2 LYS A 48 9.176 -10.683 6.850 1.00 1.03 H new ATOM 0 HG3 LYS A 48 8.809 -9.340 7.914 1.00 1.03 H new ATOM 0 HD2 LYS A 48 6.274 -10.408 7.448 1.00 1.41 H new ATOM 0 HD3 LYS A 48 7.275 -11.847 7.449 1.00 1.41 H new ATOM 0 HE2 LYS A 48 8.127 -10.087 9.631 1.00 1.92 H new ATOM 0 HE3 LYS A 48 6.399 -10.357 9.744 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 7.641 -12.189 10.775 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 6.779 -12.752 9.424 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 8.454 -12.491 9.315 1.00 2.47 H new ATOM 753 N ALA A 49 7.813 -6.286 4.573 1.00 0.47 N ATOM 754 CA ALA A 49 8.571 -5.252 3.811 1.00 0.50 C ATOM 755 C ALA A 49 8.621 -3.943 4.603 1.00 0.53 C ATOM 756 O ALA A 49 9.651 -3.307 4.710 1.00 0.65 O ATOM 757 CB ALA A 49 7.789 -5.063 2.511 1.00 0.55 C ATOM 0 H ALA A 49 6.935 -6.583 4.147 1.00 0.47 H new ATOM 0 HA ALA A 49 9.603 -5.550 3.625 1.00 0.50 H new ATOM 0 HB1 ALA A 49 8.285 -4.314 1.893 1.00 0.55 H new ATOM 0 HB2 ALA A 49 7.747 -6.009 1.971 1.00 0.55 H new ATOM 0 HB3 ALA A 49 6.777 -4.731 2.740 1.00 0.55 H new ATOM 763 N ALA A 50 7.515 -3.541 5.160 1.00 0.54 N ATOM 764 CA ALA A 50 7.492 -2.274 5.947 1.00 0.65 C ATOM 765 C ALA A 50 8.371 -2.411 7.192 1.00 0.65 C ATOM 766 O ALA A 50 8.964 -1.456 7.654 1.00 0.77 O ATOM 767 CB ALA A 50 6.029 -2.077 6.342 1.00 0.76 C ATOM 0 H ALA A 50 6.624 -4.034 5.106 1.00 0.54 H new ATOM 0 HA ALA A 50 7.876 -1.427 5.378 1.00 0.65 H new ATOM 0 HB1 ALA A 50 5.930 -1.162 6.926 1.00 0.76 H new ATOM 0 HB2 ALA A 50 5.416 -2.002 5.444 1.00 0.76 H new ATOM 0 HB3 ALA A 50 5.696 -2.926 6.939 1.00 0.76 H new ATOM 773 N GLY A 51 8.462 -3.593 7.738 1.00 0.59 N ATOM 774 CA GLY A 51 9.305 -3.791 8.949 1.00 0.69 C ATOM 775 C GLY A 51 10.778 -3.651 8.565 1.00 0.78 C ATOM 776 O GLY A 51 11.615 -3.319 9.380 1.00 0.90 O ATOM 0 H GLY A 51 7.989 -4.430 7.397 1.00 0.59 H new ATOM 0 HA2 GLY A 51 9.044 -3.057 9.712 1.00 0.69 H new ATOM 0 HA3 GLY A 51 9.121 -4.776 9.378 1.00 0.69 H new ATOM 780 N LYS A 52 11.100 -3.903 7.326 1.00 0.80 N ATOM 781 CA LYS A 52 12.520 -3.783 6.884 1.00 1.01 C ATOM 782 C LYS A 52 12.935 -2.308 6.783 1.00 1.12 C ATOM 783 O LYS A 52 14.084 -1.999 6.539 1.00 1.31 O ATOM 784 CB LYS A 52 12.559 -4.447 5.507 1.00 1.15 C ATOM 785 CG LYS A 52 12.332 -5.952 5.659 1.00 1.49 C ATOM 786 CD LYS A 52 13.516 -6.711 5.058 1.00 1.97 C ATOM 787 CE LYS A 52 14.467 -7.143 6.176 1.00 2.64 C ATOM 788 NZ LYS A 52 15.660 -7.693 5.475 1.00 3.08 N ATOM 0 H LYS A 52 10.442 -4.187 6.600 1.00 0.80 H new ATOM 0 HA LYS A 52 13.209 -4.251 7.587 1.00 1.01 H new ATOM 0 HB2 LYS A 52 11.793 -4.016 4.862 1.00 1.15 H new ATOM 0 HB3 LYS A 52 13.520 -4.260 5.029 1.00 1.15 H new ATOM 0 HG2 LYS A 52 12.219 -6.209 6.712 1.00 1.49 H new ATOM 0 HG3 LYS A 52 11.408 -6.243 5.159 1.00 1.49 H new ATOM 0 HD2 LYS A 52 13.161 -7.584 4.510 1.00 1.97 H new ATOM 0 HD3 LYS A 52 14.042 -6.078 4.343 1.00 1.97 H new ATOM 0 HE2 LYS A 52 14.737 -6.300 6.812 1.00 2.64 H new ATOM 0 HE3 LYS A 52 14.006 -7.893 6.819 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 16.359 -8.011 6.176 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 15.374 -8.498 4.882 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 16.082 -6.955 4.876 1.00 3.08 H new ATOM 802 N LEU A 53 12.017 -1.396 6.966 1.00 1.12 N ATOM 803 CA LEU A 53 12.378 0.054 6.877 1.00 1.33 C ATOM 804 C LEU A 53 12.629 0.597 8.281 1.00 1.30 C ATOM 805 O LEU A 53 13.526 1.384 8.508 1.00 1.50 O ATOM 806 CB LEU A 53 11.170 0.773 6.246 1.00 1.55 C ATOM 807 CG LEU A 53 10.523 -0.094 5.161 1.00 1.47 C ATOM 808 CD1 LEU A 53 9.397 0.691 4.482 1.00 1.82 C ATOM 809 CD2 LEU A 53 11.574 -0.483 4.118 1.00 2.07 C ATOM 0 H LEU A 53 11.037 -1.589 7.172 1.00 1.12 H new ATOM 0 HA LEU A 53 13.278 0.207 6.281 1.00 1.33 H new ATOM 0 HB2 LEU A 53 10.436 1.005 7.018 1.00 1.55 H new ATOM 0 HB3 LEU A 53 11.491 1.722 5.816 1.00 1.55 H new ATOM 0 HG LEU A 53 10.114 -0.996 5.617 1.00 1.47 H new ATOM 0 HD11 LEU A 53 8.937 0.074 3.710 1.00 1.82 H new ATOM 0 HD12 LEU A 53 8.646 0.965 5.223 1.00 1.82 H new ATOM 0 HD13 LEU A 53 9.805 1.594 4.029 1.00 1.82 H new ATOM 0 HD21 LEU A 53 11.111 -1.100 3.348 1.00 2.07 H new ATOM 0 HD22 LEU A 53 11.986 0.418 3.663 1.00 2.07 H new ATOM 0 HD23 LEU A 53 12.374 -1.045 4.600 1.00 2.07 H new ATOM 821 N LYS A 54 11.834 0.177 9.224 1.00 1.20 N ATOM 822 CA LYS A 54 12.005 0.657 10.630 1.00 1.35 C ATOM 823 C LYS A 54 13.472 0.554 11.060 1.00 1.40 C ATOM 824 O LYS A 54 14.031 1.476 11.619 1.00 1.67 O ATOM 825 CB LYS A 54 11.135 -0.274 11.474 1.00 1.46 C ATOM 826 CG LYS A 54 9.935 0.502 12.022 1.00 1.91 C ATOM 827 CD LYS A 54 10.285 1.081 13.394 1.00 2.50 C ATOM 828 CE LYS A 54 9.025 1.663 14.039 1.00 2.87 C ATOM 829 NZ LYS A 54 9.352 3.092 14.301 1.00 3.88 N ATOM 0 H LYS A 54 11.068 -0.482 9.084 1.00 1.20 H new ATOM 0 HA LYS A 54 11.718 1.702 10.742 1.00 1.35 H new ATOM 0 HB2 LYS A 54 10.793 -1.115 10.871 1.00 1.46 H new ATOM 0 HB3 LYS A 54 11.719 -0.688 12.296 1.00 1.46 H new ATOM 0 HG2 LYS A 54 9.663 1.304 11.336 1.00 1.91 H new ATOM 0 HG3 LYS A 54 9.069 -0.156 12.103 1.00 1.91 H new ATOM 0 HD2 LYS A 54 10.707 0.304 14.031 1.00 2.50 H new ATOM 0 HD3 LYS A 54 11.045 1.856 13.291 1.00 2.50 H new ATOM 0 HE2 LYS A 54 8.164 1.570 13.377 1.00 2.87 H new ATOM 0 HE3 LYS A 54 8.776 1.139 14.962 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 8.535 3.560 14.744 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 10.171 3.149 14.939 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 9.578 3.567 13.404 1.00 3.88 H new ATOM 843 N ALA A 55 14.098 -0.562 10.803 1.00 1.63 N ATOM 844 CA ALA A 55 15.527 -0.720 11.198 1.00 2.20 C ATOM 845 C ALA A 55 16.428 0.096 10.267 1.00 2.03 C ATOM 846 O ALA A 55 17.538 0.447 10.611 1.00 2.38 O ATOM 847 CB ALA A 55 15.815 -2.214 11.050 1.00 2.78 C ATOM 0 H ALA A 55 13.683 -1.369 10.338 1.00 1.63 H new ATOM 0 HA ALA A 55 15.717 -0.366 12.211 1.00 2.20 H new ATOM 0 HB1 ALA A 55 16.851 -2.414 11.323 1.00 2.78 H new ATOM 0 HB2 ALA A 55 15.152 -2.779 11.705 1.00 2.78 H new ATOM 0 HB3 ALA A 55 15.648 -2.516 10.016 1.00 2.78 H new ATOM 853 N GLU A 56 15.956 0.404 9.090 1.00 1.67 N ATOM 854 CA GLU A 56 16.785 1.199 8.139 1.00 1.70 C ATOM 855 C GLU A 56 16.580 2.696 8.382 1.00 1.53 C ATOM 856 O GLU A 56 17.511 3.426 8.656 1.00 1.98 O ATOM 857 CB GLU A 56 16.281 0.807 6.750 1.00 1.99 C ATOM 858 CG GLU A 56 17.185 -0.282 6.169 1.00 2.69 C ATOM 859 CD GLU A 56 17.490 0.037 4.705 1.00 3.21 C ATOM 860 OE1 GLU A 56 17.985 1.121 4.447 1.00 3.64 O ATOM 861 OE2 GLU A 56 17.223 -0.809 3.867 1.00 3.63 O ATOM 0 H GLU A 56 15.033 0.140 8.746 1.00 1.67 H new ATOM 0 HA GLU A 56 17.851 1.002 8.256 1.00 1.70 H new ATOM 0 HB2 GLU A 56 15.254 0.447 6.812 1.00 1.99 H new ATOM 0 HB3 GLU A 56 16.275 1.678 6.094 1.00 1.99 H new ATOM 0 HG2 GLU A 56 18.112 -0.343 6.740 1.00 2.69 H new ATOM 0 HG3 GLU A 56 16.698 -1.254 6.247 1.00 2.69 H new ATOM 868 N GLY A 57 15.366 3.155 8.280 1.00 1.58 N ATOM 869 CA GLY A 57 15.093 4.603 8.504 1.00 2.25 C ATOM 870 C GLY A 57 14.681 5.256 7.182 1.00 1.97 C ATOM 871 O GLY A 57 14.884 6.436 6.972 1.00 2.50 O ATOM 0 H GLY A 57 14.548 2.590 8.051 1.00 1.58 H new ATOM 0 HA2 GLY A 57 14.302 4.724 9.244 1.00 2.25 H new ATOM 0 HA3 GLY A 57 15.981 5.094 8.903 1.00 2.25 H new ATOM 875 N SER A 58 14.104 4.499 6.289 1.00 1.30 N ATOM 876 CA SER A 58 13.680 5.078 4.983 1.00 1.23 C ATOM 877 C SER A 58 12.548 6.085 5.190 1.00 1.03 C ATOM 878 O SER A 58 12.093 6.310 6.293 1.00 1.27 O ATOM 879 CB SER A 58 13.191 3.882 4.167 1.00 1.53 C ATOM 880 OG SER A 58 14.127 2.820 4.274 1.00 2.13 O ATOM 0 H SER A 58 13.908 3.505 6.407 1.00 1.30 H new ATOM 0 HA SER A 58 14.489 5.613 4.485 1.00 1.23 H new ATOM 0 HB2 SER A 58 12.215 3.558 4.527 1.00 1.53 H new ATOM 0 HB3 SER A 58 13.067 4.167 3.122 1.00 1.53 H new ATOM 0 HG SER A 58 13.812 2.053 3.752 1.00 2.13 H new ATOM 886 N GLU A 59 12.092 6.687 4.130 1.00 0.85 N ATOM 887 CA GLU A 59 10.989 7.675 4.236 1.00 0.87 C ATOM 888 C GLU A 59 9.793 7.162 3.441 1.00 0.76 C ATOM 889 O GLU A 59 9.024 7.919 2.881 1.00 1.06 O ATOM 890 CB GLU A 59 11.548 8.954 3.612 1.00 1.10 C ATOM 891 CG GLU A 59 12.066 8.659 2.200 1.00 1.05 C ATOM 892 CD GLU A 59 10.892 8.626 1.222 1.00 1.58 C ATOM 893 OE1 GLU A 59 9.889 9.260 1.508 1.00 2.22 O ATOM 894 OE2 GLU A 59 11.014 7.967 0.202 1.00 2.13 O ATOM 0 H GLU A 59 12.442 6.534 3.184 1.00 0.85 H new ATOM 0 HA GLU A 59 10.657 7.844 5.260 1.00 0.87 H new ATOM 0 HB2 GLU A 59 10.773 9.719 3.572 1.00 1.10 H new ATOM 0 HB3 GLU A 59 12.354 9.349 4.230 1.00 1.10 H new ATOM 0 HG2 GLU A 59 12.783 9.422 1.898 1.00 1.05 H new ATOM 0 HG3 GLU A 59 12.591 7.704 2.186 1.00 1.05 H new ATOM 901 N ILE A 60 9.653 5.870 3.380 1.00 0.59 N ATOM 902 CA ILE A 60 8.531 5.267 2.611 1.00 0.57 C ATOM 903 C ILE A 60 7.566 4.545 3.559 1.00 0.52 C ATOM 904 O ILE A 60 7.949 4.091 4.618 1.00 0.63 O ATOM 905 CB ILE A 60 9.210 4.276 1.655 1.00 0.68 C ATOM 906 CG1 ILE A 60 9.850 3.132 2.459 1.00 1.46 C ATOM 907 CG2 ILE A 60 10.289 5.004 0.845 1.00 1.34 C ATOM 908 CD1 ILE A 60 10.606 2.195 1.516 1.00 1.60 C ATOM 0 H ILE A 60 10.273 5.199 3.834 1.00 0.59 H new ATOM 0 HA ILE A 60 7.939 6.009 2.076 1.00 0.57 H new ATOM 0 HB ILE A 60 8.465 3.862 0.976 1.00 0.68 H new ATOM 0 HG12 ILE A 60 10.532 3.538 3.207 1.00 1.46 H new ATOM 0 HG13 ILE A 60 9.080 2.578 2.997 1.00 1.46 H new ATOM 0 HG21 ILE A 60 10.771 4.300 0.166 1.00 1.34 H new ATOM 0 HG22 ILE A 60 9.831 5.808 0.269 1.00 1.34 H new ATOM 0 HG23 ILE A 60 11.033 5.422 1.523 1.00 1.34 H new ATOM 0 HD11 ILE A 60 11.057 1.387 2.091 1.00 1.60 H new ATOM 0 HD12 ILE A 60 9.913 1.778 0.785 1.00 1.60 H new ATOM 0 HD13 ILE A 60 11.387 2.752 0.999 1.00 1.60 H new ATOM 920 N ARG A 61 6.318 4.438 3.190 1.00 0.45 N ATOM 921 CA ARG A 61 5.340 3.747 4.079 1.00 0.45 C ATOM 922 C ARG A 61 4.328 2.953 3.253 1.00 0.41 C ATOM 923 O ARG A 61 4.098 3.234 2.093 1.00 0.55 O ATOM 924 CB ARG A 61 4.641 4.870 4.845 1.00 0.51 C ATOM 925 CG ARG A 61 5.271 5.011 6.230 1.00 0.75 C ATOM 926 CD ARG A 61 4.539 6.102 7.015 1.00 0.97 C ATOM 927 NE ARG A 61 4.966 5.909 8.427 1.00 1.30 N ATOM 928 CZ ARG A 61 4.729 6.837 9.313 1.00 1.66 C ATOM 929 NH1 ARG A 61 5.573 7.820 9.470 1.00 2.21 N ATOM 930 NH2 ARG A 61 3.647 6.784 10.041 1.00 2.19 N ATOM 0 H ARG A 61 5.935 4.797 2.316 1.00 0.45 H new ATOM 0 HA ARG A 61 5.826 3.035 4.746 1.00 0.45 H new ATOM 0 HB2 ARG A 61 4.729 5.808 4.297 1.00 0.51 H new ATOM 0 HB3 ARG A 61 3.577 4.653 4.938 1.00 0.51 H new ATOM 0 HG2 ARG A 61 5.215 4.063 6.765 1.00 0.75 H new ATOM 0 HG3 ARG A 61 6.328 5.262 6.137 1.00 0.75 H new ATOM 0 HD2 ARG A 61 4.806 7.095 6.654 1.00 0.97 H new ATOM 0 HD3 ARG A 61 3.458 6.005 6.912 1.00 0.97 H new ATOM 0 HE ARG A 61 5.444 5.051 8.702 1.00 1.30 H new ATOM 0 HH11 ARG A 61 6.418 7.863 8.900 1.00 2.21 H new ATOM 0 HH12 ARG A 61 5.388 8.546 10.163 1.00 2.21 H new ATOM 0 HH21 ARG A 61 2.986 6.017 9.917 1.00 2.19 H new ATOM 0 HH22 ARG A 61 3.462 7.510 10.734 1.00 2.19 H new ATOM 944 N LEU A 62 3.714 1.967 3.847 1.00 0.35 N ATOM 945 CA LEU A 62 2.708 1.159 3.104 1.00 0.36 C ATOM 946 C LEU A 62 1.442 0.986 3.946 1.00 0.32 C ATOM 947 O LEU A 62 1.426 1.296 5.121 1.00 0.38 O ATOM 948 CB LEU A 62 3.370 -0.201 2.774 1.00 0.48 C ATOM 949 CG LEU A 62 4.141 -0.815 3.968 1.00 0.73 C ATOM 950 CD1 LEU A 62 5.459 -0.069 4.196 1.00 1.59 C ATOM 951 CD2 LEU A 62 3.296 -0.786 5.246 1.00 1.22 C ATOM 0 H LEU A 62 3.866 1.686 4.816 1.00 0.35 H new ATOM 0 HA LEU A 62 2.404 1.654 2.182 1.00 0.36 H new ATOM 0 HB2 LEU A 62 2.601 -0.902 2.449 1.00 0.48 H new ATOM 0 HB3 LEU A 62 4.056 -0.069 1.937 1.00 0.48 H new ATOM 0 HG LEU A 62 4.359 -1.855 3.724 1.00 0.73 H new ATOM 0 HD11 LEU A 62 5.988 -0.514 5.039 1.00 1.59 H new ATOM 0 HD12 LEU A 62 6.077 -0.141 3.301 1.00 1.59 H new ATOM 0 HD13 LEU A 62 5.251 0.979 4.410 1.00 1.59 H new ATOM 0 HD21 LEU A 62 3.863 -1.224 6.067 1.00 1.22 H new ATOM 0 HD22 LEU A 62 3.041 0.245 5.490 1.00 1.22 H new ATOM 0 HD23 LEU A 62 2.382 -1.359 5.091 1.00 1.22 H new ATOM 963 N ALA A 63 0.378 0.507 3.361 1.00 0.30 N ATOM 964 CA ALA A 63 -0.876 0.343 4.153 1.00 0.32 C ATOM 965 C ALA A 63 -1.949 -0.406 3.355 1.00 0.31 C ATOM 966 O ALA A 63 -1.760 -0.753 2.206 1.00 0.37 O ATOM 967 CB ALA A 63 -1.334 1.772 4.444 1.00 0.37 C ATOM 0 H ALA A 63 0.321 0.225 2.382 1.00 0.30 H new ATOM 0 HA ALA A 63 -0.709 -0.241 5.058 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -2.255 1.747 5.026 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.562 2.294 5.009 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.512 2.295 3.505 1.00 0.37 H new ATOM 973 N LYS A 64 -3.081 -0.646 3.963 1.00 0.30 N ATOM 974 CA LYS A 64 -4.177 -1.364 3.253 1.00 0.32 C ATOM 975 C LYS A 64 -5.521 -0.700 3.535 1.00 0.32 C ATOM 976 O LYS A 64 -5.639 0.159 4.385 1.00 0.40 O ATOM 977 CB LYS A 64 -4.174 -2.804 3.781 1.00 0.38 C ATOM 978 CG LYS A 64 -4.111 -2.826 5.315 1.00 1.39 C ATOM 979 CD LYS A 64 -3.669 -4.214 5.789 1.00 1.60 C ATOM 980 CE LYS A 64 -4.667 -5.267 5.304 1.00 2.04 C ATOM 981 NZ LYS A 64 -3.993 -6.572 5.558 1.00 2.26 N ATOM 0 H LYS A 64 -3.293 -0.374 4.923 1.00 0.30 H new ATOM 0 HA LYS A 64 -4.023 -1.341 2.174 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -5.072 -3.321 3.443 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -3.321 -3.344 3.370 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -3.413 -2.069 5.672 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -5.087 -2.581 5.733 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -2.673 -4.439 5.407 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -3.605 -4.234 6.877 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -5.611 -5.197 5.845 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -4.895 -5.139 4.246 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -4.322 -7.273 4.864 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -2.963 -6.454 5.470 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -4.223 -6.900 6.518 1.00 2.26 H new ATOM 995 N VAL A 65 -6.532 -1.093 2.819 1.00 0.30 N ATOM 996 CA VAL A 65 -7.880 -0.485 3.033 1.00 0.32 C ATOM 997 C VAL A 65 -8.979 -1.548 2.975 1.00 0.31 C ATOM 998 O VAL A 65 -8.861 -2.544 2.289 1.00 0.36 O ATOM 999 CB VAL A 65 -8.058 0.511 1.888 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -9.445 1.156 1.985 1.00 0.45 C ATOM 1001 CG2 VAL A 65 -6.984 1.593 1.982 1.00 0.70 C ATOM 0 H VAL A 65 -6.489 -1.809 2.094 1.00 0.30 H new ATOM 0 HA VAL A 65 -7.951 -0.012 4.012 1.00 0.32 H new ATOM 0 HB VAL A 65 -7.965 -0.009 0.935 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -9.574 1.867 1.169 1.00 0.45 H new ATOM 0 HG12 VAL A 65 -10.211 0.384 1.917 1.00 0.45 H new ATOM 0 HG13 VAL A 65 -9.538 1.677 2.938 1.00 0.45 H new ATOM 0 HG21 VAL A 65 -7.111 2.304 1.165 1.00 0.70 H new ATOM 0 HG22 VAL A 65 -7.076 2.115 2.935 1.00 0.70 H new ATOM 0 HG23 VAL A 65 -5.998 1.134 1.913 1.00 0.70 H new ATOM 1011 N ASP A 66 -10.054 -1.330 3.681 1.00 0.35 N ATOM 1012 CA ASP A 66 -11.175 -2.312 3.662 1.00 0.39 C ATOM 1013 C ASP A 66 -12.208 -1.898 2.610 1.00 0.40 C ATOM 1014 O ASP A 66 -13.113 -1.133 2.881 1.00 0.44 O ATOM 1015 CB ASP A 66 -11.778 -2.251 5.066 1.00 0.47 C ATOM 1016 CG ASP A 66 -10.814 -2.894 6.064 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -9.646 -2.541 6.040 1.00 1.38 O ATOM 1018 OD2 ASP A 66 -11.259 -3.728 6.836 1.00 1.30 O ATOM 0 H ASP A 66 -10.205 -0.512 4.272 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.846 -3.320 3.408 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.970 -1.215 5.346 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -12.737 -2.770 5.084 1.00 0.47 H new ATOM 1023 N ALA A 67 -12.075 -2.394 1.409 1.00 0.40 N ATOM 1024 CA ALA A 67 -13.041 -2.030 0.329 1.00 0.46 C ATOM 1025 C ALA A 67 -14.487 -2.167 0.819 1.00 0.51 C ATOM 1026 O ALA A 67 -15.385 -1.526 0.311 1.00 0.57 O ATOM 1027 CB ALA A 67 -12.762 -3.026 -0.797 1.00 0.51 C ATOM 0 H ALA A 67 -11.336 -3.038 1.127 1.00 0.40 H new ATOM 0 HA ALA A 67 -12.921 -0.995 0.007 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -13.432 -2.827 -1.633 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -11.729 -2.921 -1.128 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -12.926 -4.041 -0.434 1.00 0.51 H new ATOM 1033 N THR A 68 -14.720 -2.994 1.799 1.00 0.53 N ATOM 1034 CA THR A 68 -16.109 -3.166 2.313 1.00 0.62 C ATOM 1035 C THR A 68 -16.436 -2.084 3.349 1.00 0.64 C ATOM 1036 O THR A 68 -17.580 -1.883 3.707 1.00 0.86 O ATOM 1037 CB THR A 68 -16.125 -4.551 2.960 1.00 0.66 C ATOM 1038 OG1 THR A 68 -15.049 -4.653 3.881 1.00 1.29 O ATOM 1039 CG2 THR A 68 -15.979 -5.622 1.878 1.00 1.35 C ATOM 0 H THR A 68 -14.010 -3.558 2.267 1.00 0.53 H new ATOM 0 HA THR A 68 -16.852 -3.077 1.521 1.00 0.62 H new ATOM 0 HB THR A 68 -17.068 -4.697 3.486 1.00 0.66 H new ATOM 0 HG1 THR A 68 -15.384 -4.984 4.740 1.00 1.29 H new ATOM 0 HG21 THR A 68 -15.990 -6.609 2.340 1.00 1.35 H new ATOM 0 HG22 THR A 68 -16.806 -5.542 1.173 1.00 1.35 H new ATOM 0 HG23 THR A 68 -15.036 -5.479 1.350 1.00 1.35 H new ATOM 1047 N GLU A 69 -15.444 -1.390 3.838 1.00 0.57 N ATOM 1048 CA GLU A 69 -15.707 -0.328 4.851 1.00 0.61 C ATOM 1049 C GLU A 69 -15.397 1.053 4.265 1.00 0.57 C ATOM 1050 O GLU A 69 -16.163 1.985 4.409 1.00 0.66 O ATOM 1051 CB GLU A 69 -14.762 -0.648 6.007 1.00 0.63 C ATOM 1052 CG GLU A 69 -15.467 -0.370 7.336 1.00 0.83 C ATOM 1053 CD GLU A 69 -14.759 0.779 8.057 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -14.422 1.749 7.397 1.00 2.22 O ATOM 1055 OE2 GLU A 69 -14.565 0.670 9.256 1.00 2.10 O ATOM 0 H GLU A 69 -14.465 -1.512 3.580 1.00 0.57 H new ATOM 0 HA GLU A 69 -16.749 -0.307 5.170 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -14.453 -1.692 5.959 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -13.858 -0.044 5.929 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -16.512 -0.114 7.159 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -15.459 -1.265 7.959 1.00 0.83 H new ATOM 1062 N GLU A 70 -14.279 1.192 3.605 1.00 0.52 N ATOM 1063 CA GLU A 70 -13.922 2.514 3.012 1.00 0.57 C ATOM 1064 C GLU A 70 -13.993 2.444 1.483 1.00 0.72 C ATOM 1065 O GLU A 70 -13.094 2.872 0.788 1.00 1.34 O ATOM 1066 CB GLU A 70 -12.489 2.784 3.472 1.00 0.71 C ATOM 1067 CG GLU A 70 -12.417 2.703 4.999 1.00 1.05 C ATOM 1068 CD GLU A 70 -11.310 1.728 5.407 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -11.076 0.786 4.669 1.00 1.97 O ATOM 1070 OE2 GLU A 70 -10.713 1.941 6.450 1.00 1.89 O ATOM 0 H GLU A 70 -13.598 0.449 3.451 1.00 0.52 H new ATOM 0 HA GLU A 70 -14.604 3.304 3.326 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -11.810 2.057 3.027 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -12.167 3.769 3.134 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -12.219 3.690 5.417 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -13.374 2.372 5.402 1.00 1.05 H new ATOM 1077 N SER A 71 -15.059 1.903 0.956 1.00 0.55 N ATOM 1078 CA SER A 71 -15.195 1.800 -0.527 1.00 0.66 C ATOM 1079 C SER A 71 -15.259 3.194 -1.158 1.00 0.70 C ATOM 1080 O SER A 71 -14.984 3.368 -2.329 1.00 0.94 O ATOM 1081 CB SER A 71 -16.510 1.051 -0.749 1.00 0.79 C ATOM 1082 OG SER A 71 -17.590 1.977 -0.743 1.00 1.48 O ATOM 0 H SER A 71 -15.843 1.527 1.489 1.00 0.55 H new ATOM 0 HA SER A 71 -14.348 1.288 -0.983 1.00 0.66 H new ATOM 0 HB2 SER A 71 -16.481 0.516 -1.698 1.00 0.79 H new ATOM 0 HB3 SER A 71 -16.652 0.305 0.033 1.00 0.79 H new ATOM 0 HG SER A 71 -18.433 1.498 -0.887 1.00 1.48 H new ATOM 1088 N ASP A 72 -15.627 4.186 -0.391 1.00 0.67 N ATOM 1089 CA ASP A 72 -15.719 5.574 -0.941 1.00 0.71 C ATOM 1090 C ASP A 72 -14.467 5.923 -1.754 1.00 0.68 C ATOM 1091 O ASP A 72 -14.506 6.744 -2.649 1.00 0.77 O ATOM 1092 CB ASP A 72 -15.823 6.477 0.289 1.00 0.78 C ATOM 1093 CG ASP A 72 -17.226 7.082 0.364 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -17.485 8.021 -0.370 1.00 1.57 O ATOM 1095 OD2 ASP A 72 -18.018 6.594 1.153 1.00 1.83 O ATOM 0 H ASP A 72 -15.869 4.096 0.596 1.00 0.67 H new ATOM 0 HA ASP A 72 -16.569 5.689 -1.614 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -15.614 5.904 1.192 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -15.077 7.270 0.235 1.00 0.78 H new ATOM 1100 N LEU A 73 -13.360 5.304 -1.452 1.00 0.63 N ATOM 1101 CA LEU A 73 -12.111 5.600 -2.210 1.00 0.68 C ATOM 1102 C LEU A 73 -11.884 4.538 -3.288 1.00 0.60 C ATOM 1103 O LEU A 73 -11.296 4.802 -4.318 1.00 0.64 O ATOM 1104 CB LEU A 73 -10.997 5.559 -1.165 1.00 0.83 C ATOM 1105 CG LEU A 73 -11.311 6.560 -0.051 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -11.790 5.807 1.191 1.00 1.22 C ATOM 1107 CD2 LEU A 73 -10.050 7.357 0.291 1.00 0.97 C ATOM 0 H LEU A 73 -13.265 4.606 -0.714 1.00 0.63 H new ATOM 0 HA LEU A 73 -12.152 6.562 -2.721 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -10.907 4.554 -0.752 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -10.040 5.800 -1.627 1.00 0.83 H new ATOM 0 HG LEU A 73 -12.092 7.243 -0.386 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -12.014 6.520 1.985 1.00 1.22 H new ATOM 0 HD12 LEU A 73 -12.689 5.240 0.949 1.00 1.22 H new ATOM 0 HD13 LEU A 73 -11.009 5.124 1.526 1.00 1.22 H new ATOM 0 HD21 LEU A 73 -10.274 8.070 1.085 1.00 0.97 H new ATOM 0 HD22 LEU A 73 -9.268 6.675 0.626 1.00 0.97 H new ATOM 0 HD23 LEU A 73 -9.708 7.894 -0.594 1.00 0.97 H new ATOM 1119 N ALA A 74 -12.347 3.341 -3.061 1.00 0.57 N ATOM 1120 CA ALA A 74 -12.162 2.267 -4.077 1.00 0.56 C ATOM 1121 C ALA A 74 -13.045 2.546 -5.294 1.00 0.59 C ATOM 1122 O ALA A 74 -12.618 2.416 -6.425 1.00 0.65 O ATOM 1123 CB ALA A 74 -12.595 0.978 -3.378 1.00 0.60 C ATOM 0 H ALA A 74 -12.845 3.059 -2.217 1.00 0.57 H new ATOM 0 HA ALA A 74 -11.134 2.204 -4.435 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -12.487 0.138 -4.064 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -11.970 0.812 -2.501 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -13.637 1.064 -3.070 1.00 0.60 H new ATOM 1129 N GLN A 75 -14.269 2.938 -5.073 1.00 0.64 N ATOM 1130 CA GLN A 75 -15.170 3.234 -6.222 1.00 0.76 C ATOM 1131 C GLN A 75 -14.553 4.335 -7.085 1.00 0.78 C ATOM 1132 O GLN A 75 -14.771 4.399 -8.279 1.00 0.86 O ATOM 1133 CB GLN A 75 -16.477 3.714 -5.590 1.00 0.87 C ATOM 1134 CG GLN A 75 -17.662 3.112 -6.348 1.00 1.42 C ATOM 1135 CD GLN A 75 -18.692 2.586 -5.346 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -19.322 3.353 -4.646 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -18.890 1.300 -5.247 1.00 2.40 N ATOM 0 H GLN A 75 -14.683 3.066 -4.150 1.00 0.64 H new ATOM 0 HA GLN A 75 -15.329 2.368 -6.865 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -16.515 3.420 -4.541 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -16.529 4.802 -5.618 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -18.116 3.865 -6.992 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -17.321 2.303 -6.995 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -18.361 0.656 -5.835 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -19.574 0.939 -4.582 1.00 2.40 H new ATOM 1146 N GLN A 76 -13.780 5.203 -6.488 1.00 0.76 N ATOM 1147 CA GLN A 76 -13.145 6.299 -7.273 1.00 0.84 C ATOM 1148 C GLN A 76 -12.276 5.712 -8.386 1.00 0.83 C ATOM 1149 O GLN A 76 -12.284 6.184 -9.507 1.00 0.94 O ATOM 1150 CB GLN A 76 -12.287 7.065 -6.265 1.00 0.89 C ATOM 1151 CG GLN A 76 -12.654 8.550 -6.310 1.00 1.14 C ATOM 1152 CD GLN A 76 -13.793 8.825 -5.327 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -13.666 8.571 -4.146 1.00 2.20 O ATOM 1154 NE2 GLN A 76 -14.909 9.338 -5.768 1.00 1.97 N ATOM 0 H GLN A 76 -13.562 5.200 -5.492 1.00 0.76 H new ATOM 0 HA GLN A 76 -13.880 6.946 -7.752 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -12.446 6.670 -5.261 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -11.230 6.933 -6.496 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -11.786 9.158 -6.056 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -12.955 8.831 -7.319 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -15.015 9.551 -6.760 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -15.675 9.526 -5.121 1.00 1.97 H new ATOM 1163 N TYR A 77 -11.533 4.684 -8.090 1.00 0.74 N ATOM 1164 CA TYR A 77 -10.672 4.064 -9.131 1.00 0.81 C ATOM 1165 C TYR A 77 -11.441 2.947 -9.832 1.00 0.83 C ATOM 1166 O TYR A 77 -11.355 2.772 -11.031 1.00 1.00 O ATOM 1167 CB TYR A 77 -9.480 3.496 -8.362 1.00 0.80 C ATOM 1168 CG TYR A 77 -8.775 4.614 -7.633 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -8.391 5.769 -8.326 1.00 1.18 C ATOM 1170 CD2 TYR A 77 -8.506 4.496 -6.264 1.00 1.42 C ATOM 1171 CE1 TYR A 77 -7.737 6.806 -7.649 1.00 1.19 C ATOM 1172 CE2 TYR A 77 -7.853 5.533 -5.588 1.00 1.56 C ATOM 1173 CZ TYR A 77 -7.468 6.688 -6.280 1.00 1.05 C ATOM 1174 OH TYR A 77 -6.826 7.711 -5.613 1.00 1.22 O ATOM 0 H TYR A 77 -11.485 4.246 -7.170 1.00 0.74 H new ATOM 0 HA TYR A 77 -10.360 4.772 -9.899 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -9.817 2.740 -7.653 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -8.791 3.004 -9.049 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -8.599 5.860 -9.382 1.00 1.18 H new ATOM 0 HD2 TYR A 77 -8.802 3.605 -5.730 1.00 1.42 H new ATOM 0 HE1 TYR A 77 -7.440 7.697 -8.183 1.00 1.19 H new ATOM 0 HE2 TYR A 77 -7.646 5.442 -4.532 1.00 1.56 H new ATOM 0 HH TYR A 77 -5.876 7.493 -5.516 1.00 1.22 H new ATOM 1184 N GLY A 78 -12.190 2.192 -9.084 1.00 0.78 N ATOM 1185 CA GLY A 78 -12.970 1.078 -9.682 1.00 0.87 C ATOM 1186 C GLY A 78 -12.739 -0.176 -8.845 1.00 0.88 C ATOM 1187 O GLY A 78 -13.645 -0.697 -8.225 1.00 1.52 O ATOM 0 H GLY A 78 -12.296 2.300 -8.075 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -14.031 1.328 -9.706 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -12.659 0.908 -10.713 1.00 0.87 H new ATOM 1191 N VAL A 79 -11.521 -0.650 -8.814 1.00 0.80 N ATOM 1192 CA VAL A 79 -11.192 -1.868 -8.008 1.00 0.79 C ATOM 1193 C VAL A 79 -12.258 -2.955 -8.202 1.00 1.13 C ATOM 1194 O VAL A 79 -13.223 -3.030 -7.467 1.00 1.54 O ATOM 1195 CB VAL A 79 -11.172 -1.383 -6.557 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -10.675 -2.509 -5.655 1.00 1.30 C ATOM 1197 CG2 VAL A 79 -10.229 -0.183 -6.425 1.00 0.72 C ATOM 0 H VAL A 79 -10.732 -0.243 -9.316 1.00 0.80 H new ATOM 0 HA VAL A 79 -10.243 -2.313 -8.307 1.00 0.79 H new ATOM 0 HB VAL A 79 -12.179 -1.088 -6.263 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -10.660 -2.166 -4.620 1.00 1.30 H new ATOM 0 HG12 VAL A 79 -11.341 -3.367 -5.743 1.00 1.30 H new ATOM 0 HG13 VAL A 79 -9.668 -2.799 -5.956 1.00 1.30 H new ATOM 0 HG21 VAL A 79 -10.218 0.159 -5.390 1.00 0.72 H new ATOM 0 HG22 VAL A 79 -9.222 -0.477 -6.721 1.00 0.72 H new ATOM 0 HG23 VAL A 79 -10.575 0.624 -7.070 1.00 0.72 H new ATOM 1207 N ARG A 80 -12.091 -3.791 -9.187 1.00 1.27 N ATOM 1208 CA ARG A 80 -13.098 -4.864 -9.429 1.00 1.72 C ATOM 1209 C ARG A 80 -12.473 -6.242 -9.200 1.00 1.38 C ATOM 1210 O ARG A 80 -12.740 -7.183 -9.921 1.00 1.87 O ATOM 1211 CB ARG A 80 -13.506 -4.698 -10.893 1.00 2.38 C ATOM 1212 CG ARG A 80 -14.741 -3.799 -10.979 1.00 2.85 C ATOM 1213 CD ARG A 80 -14.762 -3.089 -12.335 1.00 3.49 C ATOM 1214 NE ARG A 80 -14.936 -4.179 -13.334 1.00 4.06 N ATOM 1215 CZ ARG A 80 -15.292 -3.893 -14.555 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -16.558 -3.831 -14.868 1.00 5.09 N ATOM 1217 NH2 ARG A 80 -14.384 -3.670 -15.466 1.00 5.25 N ATOM 0 H ARG A 80 -11.303 -3.779 -9.835 1.00 1.27 H new ATOM 0 HA ARG A 80 -13.951 -4.788 -8.755 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -12.685 -4.262 -11.463 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -13.720 -5.671 -11.335 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -15.646 -4.393 -10.854 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -14.727 -3.066 -10.173 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -15.577 -2.368 -12.391 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -13.837 -2.539 -12.507 1.00 3.49 H new ATOM 0 HE ARG A 80 -14.777 -5.149 -13.063 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -17.268 -4.006 -14.157 1.00 5.09 H new ATOM 0 HH12 ARG A 80 -16.837 -3.607 -15.823 1.00 5.09 H new ATOM 0 HH21 ARG A 80 -13.395 -3.719 -15.223 1.00 5.25 H new ATOM 0 HH22 ARG A 80 -14.664 -3.446 -16.421 1.00 5.25 H new ATOM 1231 N GLY A 81 -11.643 -6.371 -8.201 1.00 0.87 N ATOM 1232 CA GLY A 81 -11.007 -7.691 -7.931 1.00 0.81 C ATOM 1233 C GLY A 81 -9.929 -7.531 -6.858 1.00 0.74 C ATOM 1234 O GLY A 81 -8.827 -7.099 -7.133 1.00 1.17 O ATOM 0 H GLY A 81 -11.379 -5.621 -7.562 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -11.759 -8.408 -7.601 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -10.568 -8.088 -8.846 1.00 0.81 H new ATOM 1238 N TYR A 82 -10.237 -7.876 -5.639 1.00 0.61 N ATOM 1239 CA TYR A 82 -9.224 -7.743 -4.551 1.00 0.52 C ATOM 1240 C TYR A 82 -8.235 -8.920 -4.615 1.00 0.54 C ATOM 1241 O TYR A 82 -8.572 -9.965 -5.136 1.00 0.61 O ATOM 1242 CB TYR A 82 -10.015 -7.788 -3.232 1.00 0.59 C ATOM 1243 CG TYR A 82 -11.239 -6.894 -3.297 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -11.215 -5.701 -4.035 1.00 0.64 C ATOM 1245 CD2 TYR A 82 -12.404 -7.266 -2.612 1.00 0.97 C ATOM 1246 CE1 TYR A 82 -12.353 -4.887 -4.085 1.00 0.68 C ATOM 1247 CE2 TYR A 82 -13.540 -6.450 -2.664 1.00 1.04 C ATOM 1248 CZ TYR A 82 -13.515 -5.261 -3.401 1.00 0.75 C ATOM 1249 OH TYR A 82 -14.634 -4.457 -3.452 1.00 0.85 O ATOM 0 H TYR A 82 -11.143 -8.243 -5.348 1.00 0.61 H new ATOM 0 HA TYR A 82 -8.650 -6.821 -4.641 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -10.321 -8.813 -3.023 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -9.374 -7.472 -2.409 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -10.319 -5.411 -4.564 1.00 0.64 H new ATOM 0 HD2 TYR A 82 -12.425 -8.184 -2.043 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -12.334 -3.968 -4.653 1.00 0.68 H new ATOM 0 HE2 TYR A 82 -14.436 -6.738 -2.135 1.00 1.04 H new ATOM 0 HH TYR A 82 -15.353 -4.863 -2.924 1.00 0.85 H new ATOM 1259 N PRO A 83 -7.038 -8.729 -4.090 1.00 0.54 N ATOM 1260 CA PRO A 83 -6.633 -7.450 -3.455 1.00 0.51 C ATOM 1261 C PRO A 83 -6.050 -6.491 -4.499 1.00 0.51 C ATOM 1262 O PRO A 83 -5.125 -6.825 -5.212 1.00 0.63 O ATOM 1263 CB PRO A 83 -5.558 -7.880 -2.466 1.00 0.59 C ATOM 1264 CG PRO A 83 -4.995 -9.165 -3.005 1.00 0.66 C ATOM 1265 CD PRO A 83 -5.953 -9.710 -4.041 1.00 0.64 C ATOM 0 HA PRO A 83 -7.463 -6.921 -2.986 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -4.782 -7.120 -2.377 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -5.978 -8.024 -1.471 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -4.015 -8.992 -3.449 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -4.858 -9.886 -2.199 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -5.469 -9.815 -5.012 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -6.322 -10.696 -3.760 1.00 0.64 H new ATOM 1273 N THR A 84 -6.577 -5.300 -4.590 1.00 0.45 N ATOM 1274 CA THR A 84 -6.041 -4.323 -5.583 1.00 0.45 C ATOM 1275 C THR A 84 -5.006 -3.412 -4.915 1.00 0.43 C ATOM 1276 O THR A 84 -5.337 -2.572 -4.103 1.00 0.52 O ATOM 1277 CB THR A 84 -7.253 -3.510 -6.043 1.00 0.48 C ATOM 1278 OG1 THR A 84 -8.188 -4.373 -6.676 1.00 0.67 O ATOM 1279 CG2 THR A 84 -6.801 -2.433 -7.031 1.00 0.56 C ATOM 0 H THR A 84 -7.353 -4.961 -4.022 1.00 0.45 H new ATOM 0 HA THR A 84 -5.544 -4.815 -6.419 1.00 0.45 H new ATOM 0 HB THR A 84 -7.722 -3.036 -5.181 1.00 0.48 H new ATOM 0 HG1 THR A 84 -7.857 -5.295 -6.642 1.00 0.67 H new ATOM 0 HG21 THR A 84 -7.665 -1.854 -7.358 1.00 0.56 H new ATOM 0 HG22 THR A 84 -6.084 -1.771 -6.545 1.00 0.56 H new ATOM 0 HG23 THR A 84 -6.332 -2.905 -7.894 1.00 0.56 H new ATOM 1287 N ILE A 85 -3.755 -3.577 -5.248 1.00 0.41 N ATOM 1288 CA ILE A 85 -2.699 -2.724 -4.626 1.00 0.41 C ATOM 1289 C ILE A 85 -2.416 -1.499 -5.501 1.00 0.41 C ATOM 1290 O ILE A 85 -2.502 -1.553 -6.712 1.00 0.54 O ATOM 1291 CB ILE A 85 -1.462 -3.621 -4.547 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -1.737 -4.790 -3.599 1.00 0.89 C ATOM 1293 CG2 ILE A 85 -0.274 -2.813 -4.023 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -0.546 -5.752 -3.618 1.00 1.27 C ATOM 0 H ILE A 85 -3.417 -4.264 -5.922 1.00 0.41 H new ATOM 0 HA ILE A 85 -2.998 -2.350 -3.647 1.00 0.41 H new ATOM 0 HB ILE A 85 -1.231 -4.004 -5.541 1.00 0.50 H new ATOM 0 HG12 ILE A 85 -1.904 -4.420 -2.587 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -2.645 -5.312 -3.901 1.00 0.89 H new ATOM 0 HG21 ILE A 85 0.606 -3.454 -3.968 1.00 0.80 H new ATOM 0 HG22 ILE A 85 -0.074 -1.980 -4.697 1.00 0.80 H new ATOM 0 HG23 ILE A 85 -0.506 -2.428 -3.030 1.00 0.80 H new ATOM 0 HD11 ILE A 85 -0.741 -6.585 -2.943 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -0.400 -6.131 -4.630 1.00 1.27 H new ATOM 0 HD13 ILE A 85 0.352 -5.226 -3.295 1.00 1.27 H new ATOM 1306 N LYS A 86 -2.074 -0.394 -4.894 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.780 0.834 -5.687 1.00 0.40 C ATOM 1308 C LYS A 86 -0.733 1.689 -4.966 1.00 0.38 C ATOM 1309 O LYS A 86 -0.723 1.785 -3.755 1.00 0.49 O ATOM 1310 CB LYS A 86 -3.111 1.579 -5.774 1.00 0.48 C ATOM 1311 CG LYS A 86 -3.433 1.884 -7.238 1.00 0.94 C ATOM 1312 CD LYS A 86 -4.689 1.117 -7.654 1.00 1.03 C ATOM 1313 CE LYS A 86 -5.579 2.021 -8.511 1.00 1.37 C ATOM 1314 NZ LYS A 86 -5.551 1.407 -9.868 1.00 1.73 N ATOM 0 H LYS A 86 -1.986 -0.289 -3.883 1.00 0.37 H new ATOM 0 HA LYS A 86 -1.378 0.602 -6.673 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -3.906 0.977 -5.334 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -3.059 2.505 -5.202 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -3.587 2.955 -7.372 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -2.594 1.600 -7.873 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -4.413 0.223 -8.214 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -5.234 0.784 -6.771 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -6.595 2.064 -8.117 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -5.201 3.043 -8.532 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -6.139 1.970 -10.516 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -4.572 1.385 -10.219 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -5.922 0.437 -9.818 1.00 1.73 H new ATOM 1328 N PHE A 87 0.150 2.308 -5.701 1.00 0.37 N ATOM 1329 CA PHE A 87 1.196 3.155 -5.056 1.00 0.36 C ATOM 1330 C PHE A 87 0.929 4.636 -5.344 1.00 0.33 C ATOM 1331 O PHE A 87 0.696 5.026 -6.470 1.00 0.37 O ATOM 1332 CB PHE A 87 2.512 2.707 -5.699 1.00 0.42 C ATOM 1333 CG PHE A 87 3.642 3.590 -5.221 1.00 0.46 C ATOM 1334 CD1 PHE A 87 3.750 3.918 -3.865 1.00 0.44 C ATOM 1335 CD2 PHE A 87 4.581 4.079 -6.137 1.00 0.81 C ATOM 1336 CE1 PHE A 87 4.798 4.736 -3.423 1.00 0.46 C ATOM 1337 CE2 PHE A 87 5.628 4.897 -5.696 1.00 0.97 C ATOM 1338 CZ PHE A 87 5.737 5.225 -4.340 1.00 0.72 C ATOM 0 H PHE A 87 0.193 2.265 -6.719 1.00 0.37 H new ATOM 0 HA PHE A 87 1.213 3.044 -3.972 1.00 0.36 H new ATOM 0 HB2 PHE A 87 2.717 1.668 -5.443 1.00 0.42 H new ATOM 0 HB3 PHE A 87 2.433 2.758 -6.785 1.00 0.42 H new ATOM 0 HD1 PHE A 87 3.025 3.540 -3.159 1.00 0.44 H new ATOM 0 HD2 PHE A 87 4.498 3.825 -7.183 1.00 0.81 H new ATOM 0 HE1 PHE A 87 4.882 4.989 -2.376 1.00 0.46 H new ATOM 0 HE2 PHE A 87 6.352 5.275 -6.403 1.00 0.97 H new ATOM 0 HZ PHE A 87 6.545 5.855 -4.000 1.00 0.72 H new ATOM 1348 N PHE A 88 0.959 5.464 -4.334 1.00 0.33 N ATOM 1349 CA PHE A 88 0.705 6.914 -4.553 1.00 0.35 C ATOM 1350 C PHE A 88 1.951 7.731 -4.194 1.00 0.42 C ATOM 1351 O PHE A 88 2.689 7.388 -3.290 1.00 0.61 O ATOM 1352 CB PHE A 88 -0.446 7.246 -3.609 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.742 6.760 -4.212 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -2.480 7.598 -5.057 1.00 0.54 C ATOM 1355 CD2 PHE A 88 -2.204 5.471 -3.927 1.00 0.63 C ATOM 1356 CE1 PHE A 88 -3.682 7.145 -5.615 1.00 0.62 C ATOM 1357 CE2 PHE A 88 -3.405 5.018 -4.484 1.00 0.73 C ATOM 1358 CZ PHE A 88 -4.144 5.854 -5.329 1.00 0.62 C ATOM 0 H PHE A 88 1.148 5.197 -3.368 1.00 0.33 H new ATOM 0 HA PHE A 88 0.467 7.146 -5.591 1.00 0.35 H new ATOM 0 HB2 PHE A 88 -0.284 6.775 -2.639 1.00 0.39 H new ATOM 0 HB3 PHE A 88 -0.492 8.321 -3.437 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -2.123 8.593 -5.278 1.00 0.54 H new ATOM 0 HD2 PHE A 88 -1.633 4.825 -3.277 1.00 0.63 H new ATOM 0 HE1 PHE A 88 -4.253 7.791 -6.266 1.00 0.62 H new ATOM 0 HE2 PHE A 88 -3.762 4.023 -4.262 1.00 0.73 H new ATOM 0 HZ PHE A 88 -5.070 5.504 -5.760 1.00 0.62 H new ATOM 1368 N ARG A 89 2.193 8.804 -4.895 1.00 0.47 N ATOM 1369 CA ARG A 89 3.394 9.636 -4.593 1.00 0.55 C ATOM 1370 C ARG A 89 2.976 11.041 -4.150 1.00 0.64 C ATOM 1371 O ARG A 89 2.501 11.836 -4.937 1.00 1.05 O ATOM 1372 CB ARG A 89 4.171 9.702 -5.907 1.00 0.73 C ATOM 1373 CG ARG A 89 5.614 10.124 -5.624 1.00 1.15 C ATOM 1374 CD ARG A 89 5.787 11.611 -5.945 1.00 1.42 C ATOM 1375 NE ARG A 89 7.109 11.977 -5.366 1.00 1.73 N ATOM 1376 CZ ARG A 89 7.722 13.056 -5.768 1.00 2.07 C ATOM 1377 NH1 ARG A 89 7.229 14.230 -5.486 1.00 2.43 N ATOM 1378 NH2 ARG A 89 8.828 12.959 -6.454 1.00 2.56 N ATOM 0 H ARG A 89 1.613 9.141 -5.663 1.00 0.47 H new ATOM 0 HA ARG A 89 3.990 9.214 -3.784 1.00 0.55 H new ATOM 0 HB2 ARG A 89 4.155 8.730 -6.401 1.00 0.73 H new ATOM 0 HB3 ARG A 89 3.699 10.412 -6.586 1.00 0.73 H new ATOM 0 HG2 ARG A 89 5.860 9.936 -4.579 1.00 1.15 H new ATOM 0 HG3 ARG A 89 6.302 9.529 -6.225 1.00 1.15 H new ATOM 0 HD2 ARG A 89 5.764 11.788 -7.020 1.00 1.42 H new ATOM 0 HD3 ARG A 89 4.985 12.206 -5.507 1.00 1.42 H new ATOM 0 HE ARG A 89 7.536 11.384 -4.654 1.00 1.73 H new ATOM 0 HH11 ARG A 89 6.364 14.305 -4.951 1.00 2.43 H new ATOM 0 HH12 ARG A 89 7.709 15.073 -5.800 1.00 2.43 H new ATOM 0 HH21 ARG A 89 9.212 12.040 -6.675 1.00 2.56 H new ATOM 0 HH22 ARG A 89 9.308 13.802 -6.769 1.00 2.56 H new ATOM 1392 N ASN A 90 3.164 11.354 -2.893 1.00 0.57 N ATOM 1393 CA ASN A 90 2.796 12.706 -2.377 1.00 0.68 C ATOM 1394 C ASN A 90 1.406 13.123 -2.875 1.00 0.69 C ATOM 1395 O ASN A 90 1.208 14.229 -3.338 1.00 0.98 O ATOM 1396 CB ASN A 90 3.873 13.629 -2.936 1.00 0.87 C ATOM 1397 CG ASN A 90 4.052 14.849 -2.023 1.00 1.10 C ATOM 1398 OD1 ASN A 90 5.120 15.424 -1.966 1.00 1.65 O ATOM 1399 ND2 ASN A 90 3.049 15.272 -1.300 1.00 1.74 N ATOM 0 H ASN A 90 3.561 10.724 -2.196 1.00 0.57 H new ATOM 0 HA ASN A 90 2.747 12.736 -1.289 1.00 0.68 H new ATOM 0 HB2 ASN A 90 4.816 13.089 -3.022 1.00 0.87 H new ATOM 0 HB3 ASN A 90 3.599 13.954 -3.940 1.00 0.87 H new ATOM 0 HD21 ASN A 90 3.165 16.082 -0.691 1.00 1.74 H new ATOM 0 HD22 ASN A 90 2.150 14.792 -1.345 1.00 1.74 H new ATOM 1406 N GLY A 91 0.444 12.248 -2.781 1.00 0.65 N ATOM 1407 CA GLY A 91 -0.929 12.599 -3.244 1.00 0.75 C ATOM 1408 C GLY A 91 -0.881 13.018 -4.714 1.00 0.79 C ATOM 1409 O GLY A 91 -1.564 13.932 -5.132 1.00 1.19 O ATOM 0 H GLY A 91 0.548 11.306 -2.404 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -1.595 11.745 -3.120 1.00 0.75 H new ATOM 0 HA3 GLY A 91 -1.333 13.409 -2.637 1.00 0.75 H new ATOM 1413 N ASP A 92 -0.080 12.358 -5.501 1.00 0.90 N ATOM 1414 CA ASP A 92 0.013 12.720 -6.946 1.00 1.27 C ATOM 1415 C ASP A 92 -1.240 12.251 -7.692 1.00 1.14 C ATOM 1416 O ASP A 92 -1.649 12.851 -8.665 1.00 1.70 O ATOM 1417 CB ASP A 92 1.251 11.988 -7.463 1.00 1.93 C ATOM 1418 CG ASP A 92 0.907 10.516 -7.701 1.00 2.15 C ATOM 1419 OD1 ASP A 92 0.309 9.918 -6.822 1.00 2.68 O ATOM 1420 OD2 ASP A 92 1.250 10.011 -8.757 1.00 2.41 O ATOM 0 H ASP A 92 0.515 11.583 -5.208 1.00 0.90 H new ATOM 0 HA ASP A 92 0.087 13.797 -7.096 1.00 1.27 H new ATOM 0 HB2 ASP A 92 1.598 12.446 -8.389 1.00 1.93 H new ATOM 0 HB3 ASP A 92 2.064 12.071 -6.742 1.00 1.93 H new ATOM 1425 N THR A 93 -1.846 11.179 -7.241 1.00 0.96 N ATOM 1426 CA THR A 93 -3.078 10.652 -7.913 1.00 1.33 C ATOM 1427 C THR A 93 -2.904 10.643 -9.437 1.00 1.26 C ATOM 1428 O THR A 93 -1.800 10.658 -9.945 1.00 1.90 O ATOM 1429 CB THR A 93 -4.208 11.605 -7.506 1.00 1.74 C ATOM 1430 OG1 THR A 93 -3.989 12.882 -8.087 1.00 2.10 O ATOM 1431 CG2 THR A 93 -4.247 11.737 -5.981 1.00 1.92 C ATOM 0 H THR A 93 -1.538 10.642 -6.430 1.00 0.96 H new ATOM 0 HA THR A 93 -3.289 9.625 -7.616 1.00 1.33 H new ATOM 0 HB THR A 93 -5.159 11.205 -7.859 1.00 1.74 H new ATOM 0 HG1 THR A 93 -3.202 12.845 -8.670 1.00 2.10 H new ATOM 0 HG21 THR A 93 -5.051 12.415 -5.695 1.00 1.92 H new ATOM 0 HG22 THR A 93 -4.422 10.758 -5.535 1.00 1.92 H new ATOM 0 HG23 THR A 93 -3.295 12.132 -5.626 1.00 1.92 H new ATOM 1439 N ALA A 94 -3.984 10.621 -10.170 1.00 1.18 N ATOM 1440 CA ALA A 94 -3.880 10.612 -11.658 1.00 1.18 C ATOM 1441 C ALA A 94 -3.004 9.448 -12.118 1.00 1.14 C ATOM 1442 O ALA A 94 -1.794 9.548 -12.174 1.00 1.48 O ATOM 1443 CB ALA A 94 -3.230 11.944 -12.025 1.00 1.24 C ATOM 0 H ALA A 94 -4.935 10.609 -9.802 1.00 1.18 H new ATOM 0 HA ALA A 94 -4.852 10.490 -12.135 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -3.121 12.009 -13.108 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -3.857 12.764 -11.673 1.00 1.24 H new ATOM 0 HB3 ALA A 94 -2.248 12.011 -11.556 1.00 1.24 H new ATOM 1449 N SER A 95 -3.610 8.345 -12.445 1.00 1.20 N ATOM 1450 CA SER A 95 -2.825 7.161 -12.904 1.00 1.22 C ATOM 1451 C SER A 95 -1.701 6.849 -11.906 1.00 0.98 C ATOM 1452 O SER A 95 -0.553 7.163 -12.152 1.00 0.98 O ATOM 1453 CB SER A 95 -2.241 7.568 -14.257 1.00 1.48 C ATOM 1454 OG SER A 95 -1.342 6.565 -14.705 1.00 2.01 O ATOM 0 H SER A 95 -4.620 8.208 -12.415 1.00 1.20 H new ATOM 0 HA SER A 95 -3.441 6.265 -12.980 1.00 1.22 H new ATOM 0 HB2 SER A 95 -3.041 7.705 -14.984 1.00 1.48 H new ATOM 0 HB3 SER A 95 -1.723 8.523 -14.169 1.00 1.48 H new ATOM 0 HG SER A 95 -0.613 6.466 -14.057 1.00 2.01 H new ATOM 1460 N PRO A 96 -2.068 6.240 -10.803 1.00 0.87 N ATOM 1461 CA PRO A 96 -1.069 5.890 -9.765 1.00 0.72 C ATOM 1462 C PRO A 96 -0.202 4.717 -10.231 1.00 0.65 C ATOM 1463 O PRO A 96 -0.476 4.091 -11.236 1.00 0.79 O ATOM 1464 CB PRO A 96 -1.921 5.493 -8.564 1.00 0.79 C ATOM 1465 CG PRO A 96 -3.227 5.054 -9.144 1.00 0.97 C ATOM 1466 CD PRO A 96 -3.427 5.825 -10.422 1.00 1.02 C ATOM 0 HA PRO A 96 -0.381 6.706 -9.541 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -1.452 4.690 -7.996 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -2.055 6.331 -7.881 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -3.221 3.982 -9.338 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -4.042 5.247 -8.447 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -3.887 5.207 -11.193 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -4.080 6.685 -10.272 1.00 1.02 H new ATOM 1474 N LYS A 97 0.842 4.414 -9.508 1.00 0.55 N ATOM 1475 CA LYS A 97 1.723 3.281 -9.912 1.00 0.57 C ATOM 1476 C LYS A 97 1.137 1.958 -9.417 1.00 0.53 C ATOM 1477 O LYS A 97 0.908 1.770 -8.239 1.00 0.89 O ATOM 1478 CB LYS A 97 3.066 3.562 -9.239 1.00 0.68 C ATOM 1479 CG LYS A 97 3.929 4.418 -10.168 1.00 0.85 C ATOM 1480 CD LYS A 97 5.400 4.034 -9.996 1.00 1.63 C ATOM 1481 CE LYS A 97 6.267 5.292 -10.089 1.00 2.05 C ATOM 1482 NZ LYS A 97 6.134 5.746 -11.502 1.00 2.61 N ATOM 0 H LYS A 97 1.123 4.901 -8.657 1.00 0.55 H new ATOM 0 HA LYS A 97 1.823 3.199 -10.994 1.00 0.57 H new ATOM 0 HB2 LYS A 97 2.910 4.078 -8.291 1.00 0.68 H new ATOM 0 HB3 LYS A 97 3.575 2.625 -9.012 1.00 0.68 H new ATOM 0 HG2 LYS A 97 3.623 4.272 -11.204 1.00 0.85 H new ATOM 0 HG3 LYS A 97 3.789 5.475 -9.941 1.00 0.85 H new ATOM 0 HD2 LYS A 97 5.550 3.546 -9.033 1.00 1.63 H new ATOM 0 HD3 LYS A 97 5.693 3.319 -10.765 1.00 1.63 H new ATOM 0 HE2 LYS A 97 5.926 6.059 -9.394 1.00 2.05 H new ATOM 0 HE3 LYS A 97 7.306 5.075 -9.840 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 6.929 6.372 -11.742 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 6.141 4.920 -12.134 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 5.239 6.263 -11.618 1.00 2.61 H new ATOM 1496 N GLU A 98 0.890 1.039 -10.310 1.00 0.51 N ATOM 1497 CA GLU A 98 0.315 -0.270 -9.895 1.00 0.48 C ATOM 1498 C GLU A 98 1.433 -1.272 -9.592 1.00 0.45 C ATOM 1499 O GLU A 98 2.474 -1.264 -10.219 1.00 0.61 O ATOM 1500 CB GLU A 98 -0.510 -0.735 -11.094 1.00 0.61 C ATOM 1501 CG GLU A 98 -1.242 -2.031 -10.739 1.00 1.33 C ATOM 1502 CD GLU A 98 -2.709 -1.917 -11.159 1.00 2.10 C ATOM 1503 OE1 GLU A 98 -3.287 -0.864 -10.944 1.00 2.79 O ATOM 1504 OE2 GLU A 98 -3.230 -2.885 -11.688 1.00 2.61 O ATOM 0 H GLU A 98 1.062 1.139 -11.310 1.00 0.51 H new ATOM 0 HA GLU A 98 -0.287 -0.187 -8.990 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -1.228 0.035 -11.375 1.00 0.61 H new ATOM 0 HB3 GLU A 98 0.139 -0.896 -11.955 1.00 0.61 H new ATOM 0 HG2 GLU A 98 -0.773 -2.876 -11.242 1.00 1.33 H new ATOM 0 HG3 GLU A 98 -1.172 -2.219 -9.668 1.00 1.33 H new ATOM 1511 N TYR A 99 1.224 -2.133 -8.635 1.00 0.45 N ATOM 1512 CA TYR A 99 2.271 -3.136 -8.291 1.00 0.46 C ATOM 1513 C TYR A 99 2.235 -4.298 -9.286 1.00 0.53 C ATOM 1514 O TYR A 99 1.258 -5.015 -9.383 1.00 0.67 O ATOM 1515 CB TYR A 99 1.906 -3.619 -6.887 1.00 0.52 C ATOM 1516 CG TYR A 99 3.044 -3.323 -5.941 1.00 0.64 C ATOM 1517 CD1 TYR A 99 4.264 -3.996 -6.082 1.00 1.20 C ATOM 1518 CD2 TYR A 99 2.881 -2.377 -4.924 1.00 1.58 C ATOM 1519 CE1 TYR A 99 5.320 -3.723 -5.204 1.00 1.49 C ATOM 1520 CE2 TYR A 99 3.936 -2.103 -4.046 1.00 2.05 C ATOM 1521 CZ TYR A 99 5.154 -2.773 -4.185 1.00 1.70 C ATOM 1522 OH TYR A 99 6.196 -2.507 -3.321 1.00 2.27 O ATOM 0 H TYR A 99 0.373 -2.186 -8.076 1.00 0.45 H new ATOM 0 HA TYR A 99 3.276 -2.717 -8.330 1.00 0.46 H new ATOM 0 HB2 TYR A 99 0.997 -3.124 -6.545 1.00 0.52 H new ATOM 0 HB3 TYR A 99 1.700 -4.689 -6.901 1.00 0.52 H new ATOM 0 HD1 TYR A 99 4.390 -4.726 -6.868 1.00 1.20 H new ATOM 0 HD2 TYR A 99 1.940 -1.857 -4.816 1.00 1.58 H new ATOM 0 HE1 TYR A 99 6.261 -4.243 -5.311 1.00 1.49 H new ATOM 0 HE2 TYR A 99 3.808 -1.373 -3.260 1.00 2.05 H new ATOM 0 HH TYR A 99 7.045 -2.741 -3.751 1.00 2.27 H new ATOM 1532 N THR A 100 3.291 -4.491 -10.027 1.00 0.60 N ATOM 1533 CA THR A 100 3.315 -5.607 -11.016 1.00 0.72 C ATOM 1534 C THR A 100 3.890 -6.871 -10.371 1.00 0.83 C ATOM 1535 O THR A 100 3.511 -7.976 -10.704 1.00 1.71 O ATOM 1536 CB THR A 100 4.225 -5.116 -12.142 1.00 0.93 C ATOM 1537 OG1 THR A 100 5.538 -4.920 -11.637 1.00 1.36 O ATOM 1538 CG2 THR A 100 3.688 -3.795 -12.695 1.00 1.13 C ATOM 0 H THR A 100 4.139 -3.925 -9.991 1.00 0.60 H new ATOM 0 HA THR A 100 2.319 -5.861 -11.379 1.00 0.72 H new ATOM 0 HB THR A 100 4.249 -5.859 -12.939 1.00 0.93 H new ATOM 0 HG1 THR A 100 6.126 -4.622 -12.362 1.00 1.36 H new ATOM 0 HG21 THR A 100 4.337 -3.446 -13.498 1.00 1.13 H new ATOM 0 HG22 THR A 100 2.681 -3.946 -13.083 1.00 1.13 H new ATOM 0 HG23 THR A 100 3.663 -3.051 -11.899 1.00 1.13 H new ATOM 1546 N ALA A 101 4.801 -6.716 -9.450 1.00 0.83 N ATOM 1547 CA ALA A 101 5.399 -7.909 -8.784 1.00 1.01 C ATOM 1548 C ALA A 101 4.319 -8.690 -8.029 1.00 1.36 C ATOM 1549 O ALA A 101 3.156 -8.653 -8.377 1.00 1.98 O ATOM 1550 CB ALA A 101 6.432 -7.341 -7.811 1.00 0.87 C ATOM 0 H ALA A 101 5.157 -5.816 -9.130 1.00 0.83 H new ATOM 0 HA ALA A 101 5.848 -8.600 -9.497 1.00 1.01 H new ATOM 0 HB1 ALA A 101 6.919 -8.158 -7.279 1.00 0.87 H new ATOM 0 HB2 ALA A 101 7.179 -6.772 -8.365 1.00 0.87 H new ATOM 0 HB3 ALA A 101 5.936 -6.687 -7.094 1.00 0.87 H new ATOM 1556 N GLY A 102 4.696 -9.398 -6.998 1.00 1.17 N ATOM 1557 CA GLY A 102 3.689 -10.180 -6.225 1.00 1.71 C ATOM 1558 C GLY A 102 4.247 -11.572 -5.927 1.00 1.08 C ATOM 1559 O GLY A 102 4.022 -12.513 -6.662 1.00 1.27 O ATOM 0 H GLY A 102 5.655 -9.468 -6.659 1.00 1.17 H new ATOM 0 HA2 GLY A 102 3.449 -9.665 -5.295 1.00 1.71 H new ATOM 0 HA3 GLY A 102 2.762 -10.262 -6.792 1.00 1.71 H new ATOM 1563 N ARG A 103 4.977 -11.711 -4.854 1.00 0.90 N ATOM 1564 CA ARG A 103 5.550 -13.045 -4.512 1.00 1.11 C ATOM 1565 C ARG A 103 5.984 -13.078 -3.045 1.00 0.94 C ATOM 1566 O ARG A 103 5.804 -14.062 -2.356 1.00 1.04 O ATOM 1567 CB ARG A 103 6.763 -13.201 -5.429 1.00 1.71 C ATOM 1568 CG ARG A 103 6.761 -14.601 -6.045 1.00 2.44 C ATOM 1569 CD ARG A 103 7.869 -15.442 -5.406 1.00 3.16 C ATOM 1570 NE ARG A 103 8.437 -16.242 -6.525 1.00 3.73 N ATOM 1571 CZ ARG A 103 9.382 -17.112 -6.292 1.00 4.34 C ATOM 1572 NH1 ARG A 103 10.619 -16.714 -6.165 1.00 4.81 N ATOM 1573 NH2 ARG A 103 9.090 -18.380 -6.186 1.00 4.84 N ATOM 0 H ARG A 103 5.201 -10.961 -4.200 1.00 0.90 H new ATOM 0 HA ARG A 103 4.827 -13.849 -4.647 1.00 1.11 H new ATOM 0 HB2 ARG A 103 6.737 -12.446 -6.215 1.00 1.71 H new ATOM 0 HB3 ARG A 103 7.682 -13.042 -4.864 1.00 1.71 H new ATOM 0 HG2 ARG A 103 5.793 -15.077 -5.889 1.00 2.44 H new ATOM 0 HG3 ARG A 103 6.915 -14.536 -7.122 1.00 2.44 H new ATOM 0 HD2 ARG A 103 8.629 -14.810 -4.947 1.00 3.16 H new ATOM 0 HD3 ARG A 103 7.473 -16.086 -4.621 1.00 3.16 H new ATOM 0 HE ARG A 103 8.088 -16.111 -7.474 1.00 3.73 H new ATOM 0 HH11 ARG A 103 10.847 -15.723 -6.248 1.00 4.81 H new ATOM 0 HH12 ARG A 103 11.357 -17.394 -5.983 1.00 4.81 H new ATOM 0 HH21 ARG A 103 8.124 -18.691 -6.285 1.00 4.84 H new ATOM 0 HH22 ARG A 103 9.828 -19.060 -6.004 1.00 4.84 H new ATOM 1587 N GLU A 104 6.555 -12.010 -2.567 1.00 0.75 N ATOM 1588 CA GLU A 104 7.005 -11.978 -1.145 1.00 0.66 C ATOM 1589 C GLU A 104 7.387 -10.551 -0.744 1.00 0.56 C ATOM 1590 O GLU A 104 7.439 -9.658 -1.566 1.00 0.57 O ATOM 1591 CB GLU A 104 8.225 -12.898 -1.095 1.00 0.79 C ATOM 1592 CG GLU A 104 9.259 -12.434 -2.124 1.00 1.59 C ATOM 1593 CD GLU A 104 10.569 -13.196 -1.911 1.00 1.87 C ATOM 1594 OE1 GLU A 104 10.529 -14.243 -1.287 1.00 2.04 O ATOM 1595 OE2 GLU A 104 11.591 -12.719 -2.377 1.00 2.51 O ATOM 0 H GLU A 104 6.731 -11.157 -3.097 1.00 0.75 H new ATOM 0 HA GLU A 104 6.225 -12.301 -0.456 1.00 0.66 H new ATOM 0 HB2 GLU A 104 8.661 -12.887 -0.096 1.00 0.79 H new ATOM 0 HB3 GLU A 104 7.927 -13.926 -1.302 1.00 0.79 H new ATOM 0 HG2 GLU A 104 8.886 -12.606 -3.133 1.00 1.59 H new ATOM 0 HG3 GLU A 104 9.430 -11.362 -2.026 1.00 1.59 H new ATOM 1602 N ALA A 105 7.645 -10.330 0.518 1.00 0.50 N ATOM 1603 CA ALA A 105 8.016 -8.959 0.984 1.00 0.44 C ATOM 1604 C ALA A 105 9.089 -8.344 0.079 1.00 0.45 C ATOM 1605 O ALA A 105 9.075 -7.160 -0.194 1.00 0.47 O ATOM 1606 CB ALA A 105 8.557 -9.156 2.400 1.00 0.47 C ATOM 0 H ALA A 105 7.615 -11.041 1.249 1.00 0.50 H new ATOM 0 HA ALA A 105 7.165 -8.278 0.959 1.00 0.44 H new ATOM 0 HB1 ALA A 105 8.852 -8.192 2.814 1.00 0.47 H new ATOM 0 HB2 ALA A 105 7.783 -9.598 3.027 1.00 0.47 H new ATOM 0 HB3 ALA A 105 9.422 -9.819 2.370 1.00 0.47 H new ATOM 1612 N ASP A 106 10.015 -9.132 -0.394 1.00 0.51 N ATOM 1613 CA ASP A 106 11.074 -8.574 -1.283 1.00 0.56 C ATOM 1614 C ASP A 106 10.430 -7.859 -2.470 1.00 0.54 C ATOM 1615 O ASP A 106 10.771 -6.742 -2.797 1.00 0.64 O ATOM 1616 CB ASP A 106 11.885 -9.781 -1.754 1.00 0.67 C ATOM 1617 CG ASP A 106 12.920 -10.147 -0.689 1.00 1.18 C ATOM 1618 OD1 ASP A 106 12.575 -10.895 0.211 1.00 2.02 O ATOM 1619 OD2 ASP A 106 14.039 -9.674 -0.792 1.00 1.82 O ATOM 0 H ASP A 106 10.085 -10.132 -0.205 1.00 0.51 H new ATOM 0 HA ASP A 106 11.703 -7.846 -0.771 1.00 0.56 H new ATOM 0 HB2 ASP A 106 11.223 -10.627 -1.939 1.00 0.67 H new ATOM 0 HB3 ASP A 106 12.382 -9.553 -2.697 1.00 0.67 H new ATOM 1624 N ASP A 107 9.494 -8.500 -3.113 1.00 0.50 N ATOM 1625 CA ASP A 107 8.816 -7.866 -4.280 1.00 0.52 C ATOM 1626 C ASP A 107 8.293 -6.478 -3.897 1.00 0.51 C ATOM 1627 O ASP A 107 8.205 -5.588 -4.720 1.00 0.63 O ATOM 1628 CB ASP A 107 7.657 -8.804 -4.620 1.00 0.55 C ATOM 1629 CG ASP A 107 8.082 -9.751 -5.745 1.00 0.76 C ATOM 1630 OD1 ASP A 107 9.273 -9.970 -5.889 1.00 1.39 O ATOM 1631 OD2 ASP A 107 7.208 -10.241 -6.441 1.00 1.41 O ATOM 0 H ASP A 107 9.168 -9.438 -2.881 1.00 0.50 H new ATOM 0 HA ASP A 107 9.489 -7.728 -5.126 1.00 0.52 H new ATOM 0 HB2 ASP A 107 7.367 -9.376 -3.739 1.00 0.55 H new ATOM 0 HB3 ASP A 107 6.785 -8.226 -4.926 1.00 0.55 H new ATOM 1636 N ILE A 108 7.953 -6.286 -2.652 1.00 0.46 N ATOM 1637 CA ILE A 108 7.444 -4.952 -2.217 1.00 0.52 C ATOM 1638 C ILE A 108 8.593 -3.941 -2.204 1.00 0.50 C ATOM 1639 O ILE A 108 8.539 -2.913 -2.850 1.00 0.52 O ATOM 1640 CB ILE A 108 6.909 -5.165 -0.801 1.00 0.60 C ATOM 1641 CG1 ILE A 108 5.852 -6.273 -0.808 1.00 0.73 C ATOM 1642 CG2 ILE A 108 6.283 -3.864 -0.291 1.00 0.67 C ATOM 1643 CD1 ILE A 108 4.707 -5.887 -1.746 1.00 0.68 C ATOM 0 H ILE A 108 8.005 -6.992 -1.918 1.00 0.46 H new ATOM 0 HA ILE A 108 6.674 -4.565 -2.885 1.00 0.52 H new ATOM 0 HB ILE A 108 7.730 -5.456 -0.146 1.00 0.60 H new ATOM 0 HG12 ILE A 108 6.299 -7.213 -1.132 1.00 0.73 H new ATOM 0 HG13 ILE A 108 5.471 -6.432 0.201 1.00 0.73 H new ATOM 0 HG21 ILE A 108 5.901 -4.015 0.719 1.00 0.67 H new ATOM 0 HG22 ILE A 108 7.037 -3.077 -0.280 1.00 0.67 H new ATOM 0 HG23 ILE A 108 5.464 -3.572 -0.948 1.00 0.67 H new ATOM 0 HD11 ILE A 108 3.957 -6.678 -1.749 1.00 0.68 H new ATOM 0 HD12 ILE A 108 4.253 -4.957 -1.403 1.00 0.68 H new ATOM 0 HD13 ILE A 108 5.094 -5.751 -2.756 1.00 0.68 H new ATOM 1655 N VAL A 109 9.637 -4.230 -1.476 1.00 0.51 N ATOM 1656 CA VAL A 109 10.792 -3.290 -1.423 1.00 0.56 C ATOM 1657 C VAL A 109 11.478 -3.233 -2.788 1.00 0.51 C ATOM 1658 O VAL A 109 11.896 -2.188 -3.244 1.00 0.55 O ATOM 1659 CB VAL A 109 11.733 -3.881 -0.374 1.00 0.67 C ATOM 1660 CG1 VAL A 109 12.967 -2.987 -0.232 1.00 0.81 C ATOM 1661 CG2 VAL A 109 11.007 -3.965 0.970 1.00 0.86 C ATOM 0 H VAL A 109 9.740 -5.076 -0.916 1.00 0.51 H new ATOM 0 HA VAL A 109 10.492 -2.273 -1.172 1.00 0.56 H new ATOM 0 HB VAL A 109 12.042 -4.879 -0.684 1.00 0.67 H new ATOM 0 HG11 VAL A 109 13.638 -3.409 0.516 1.00 0.81 H new ATOM 0 HG12 VAL A 109 13.484 -2.926 -1.190 1.00 0.81 H new ATOM 0 HG13 VAL A 109 12.659 -1.989 0.079 1.00 0.81 H new ATOM 0 HG21 VAL A 109 11.677 -4.386 1.720 1.00 0.86 H new ATOM 0 HG22 VAL A 109 10.698 -2.967 1.280 1.00 0.86 H new ATOM 0 HG23 VAL A 109 10.128 -4.602 0.870 1.00 0.86 H new ATOM 1671 N ASN A 110 11.593 -4.354 -3.445 1.00 0.50 N ATOM 1672 CA ASN A 110 12.246 -4.372 -4.782 1.00 0.52 C ATOM 1673 C ASN A 110 11.572 -3.359 -5.708 1.00 0.50 C ATOM 1674 O ASN A 110 12.224 -2.583 -6.378 1.00 0.59 O ATOM 1675 CB ASN A 110 12.037 -5.795 -5.297 1.00 0.59 C ATOM 1676 CG ASN A 110 13.091 -6.120 -6.355 1.00 0.98 C ATOM 1677 OD1 ASN A 110 13.431 -5.283 -7.170 1.00 1.65 O ATOM 1678 ND2 ASN A 110 13.629 -7.308 -6.376 1.00 1.29 N ATOM 0 H ASN A 110 11.262 -5.260 -3.112 1.00 0.50 H new ATOM 0 HA ASN A 110 13.302 -4.105 -4.736 1.00 0.52 H new ATOM 0 HB2 ASN A 110 12.105 -6.504 -4.472 1.00 0.59 H new ATOM 0 HB3 ASN A 110 11.038 -5.895 -5.722 1.00 0.59 H new ATOM 0 HD21 ASN A 110 14.335 -7.536 -7.076 1.00 1.29 H new ATOM 0 HD22 ASN A 110 13.344 -8.009 -5.692 1.00 1.29 H new ATOM 1685 N TRP A 111 10.271 -3.362 -5.746 1.00 0.46 N ATOM 1686 CA TRP A 111 9.545 -2.400 -6.623 1.00 0.51 C ATOM 1687 C TRP A 111 9.755 -0.971 -6.120 1.00 0.55 C ATOM 1688 O TRP A 111 9.815 -0.033 -6.889 1.00 0.66 O ATOM 1689 CB TRP A 111 8.073 -2.796 -6.513 1.00 0.55 C ATOM 1690 CG TRP A 111 7.435 -2.723 -7.863 1.00 0.58 C ATOM 1691 CD1 TRP A 111 7.467 -3.706 -8.791 1.00 0.73 C ATOM 1692 CD2 TRP A 111 6.674 -1.628 -8.451 1.00 0.69 C ATOM 1693 NE1 TRP A 111 6.773 -3.285 -9.912 1.00 0.84 N ATOM 1694 CE2 TRP A 111 6.265 -2.012 -9.750 1.00 0.83 C ATOM 1695 CE3 TRP A 111 6.301 -0.353 -7.988 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 5.516 -1.160 -10.562 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 5.546 0.506 -8.803 1.00 1.07 C ATOM 1698 CH2 TRP A 111 5.154 0.103 -10.087 1.00 1.14 C ATOM 0 H TRP A 111 9.676 -3.990 -5.207 1.00 0.46 H new ATOM 0 HA TRP A 111 9.898 -2.431 -7.654 1.00 0.51 H new ATOM 0 HB2 TRP A 111 7.986 -3.806 -6.112 1.00 0.55 H new ATOM 0 HB3 TRP A 111 7.558 -2.132 -5.819 1.00 0.55 H new ATOM 0 HD1 TRP A 111 7.954 -4.663 -8.676 1.00 0.73 H new ATOM 0 HE1 TRP A 111 6.652 -3.847 -10.755 1.00 0.84 H new ATOM 0 HE3 TRP A 111 6.597 -0.033 -7.000 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 5.218 -1.475 -11.551 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 5.266 1.483 -8.438 1.00 1.07 H new ATOM 0 HH2 TRP A 111 4.573 0.768 -10.708 1.00 1.14 H new ATOM 1709 N LEU A 112 9.867 -0.802 -4.832 1.00 0.55 N ATOM 1710 CA LEU A 112 10.075 0.565 -4.274 1.00 0.65 C ATOM 1711 C LEU A 112 11.536 0.988 -4.451 1.00 0.65 C ATOM 1712 O LEU A 112 11.837 2.150 -4.639 1.00 0.75 O ATOM 1713 CB LEU A 112 9.724 0.445 -2.792 1.00 0.74 C ATOM 1714 CG LEU A 112 8.316 0.998 -2.556 1.00 0.86 C ATOM 1715 CD1 LEU A 112 7.281 -0.074 -2.906 1.00 1.49 C ATOM 1716 CD2 LEU A 112 8.163 1.392 -1.085 1.00 1.10 C ATOM 0 H LEU A 112 9.824 -1.551 -4.141 1.00 0.55 H new ATOM 0 HA LEU A 112 9.464 1.316 -4.775 1.00 0.65 H new ATOM 0 HB2 LEU A 112 9.774 -0.598 -2.478 1.00 0.74 H new ATOM 0 HB3 LEU A 112 10.448 0.994 -2.190 1.00 0.74 H new ATOM 0 HG LEU A 112 8.160 1.874 -3.186 1.00 0.86 H new ATOM 0 HD11 LEU A 112 6.278 0.320 -2.738 1.00 1.49 H new ATOM 0 HD12 LEU A 112 7.389 -0.356 -3.953 1.00 1.49 H new ATOM 0 HD13 LEU A 112 7.437 -0.950 -2.276 1.00 1.49 H new ATOM 0 HD21 LEU A 112 7.161 1.786 -0.916 1.00 1.10 H new ATOM 0 HD22 LEU A 112 8.319 0.516 -0.456 1.00 1.10 H new ATOM 0 HD23 LEU A 112 8.900 2.155 -0.834 1.00 1.10 H new ATOM 1728 N LYS A 113 12.445 0.053 -4.398 1.00 0.62 N ATOM 1729 CA LYS A 113 13.884 0.403 -4.568 1.00 0.70 C ATOM 1730 C LYS A 113 14.299 0.236 -6.033 1.00 0.75 C ATOM 1731 O LYS A 113 15.466 0.120 -6.348 1.00 1.01 O ATOM 1732 CB LYS A 113 14.641 -0.585 -3.679 1.00 0.79 C ATOM 1733 CG LYS A 113 15.122 0.127 -2.414 1.00 1.42 C ATOM 1734 CD LYS A 113 14.963 -0.805 -1.211 1.00 1.84 C ATOM 1735 CE LYS A 113 16.038 -0.484 -0.170 1.00 2.39 C ATOM 1736 NZ LYS A 113 15.358 -0.648 1.145 1.00 2.86 N ATOM 0 H LYS A 113 12.254 -0.937 -4.245 1.00 0.62 H new ATOM 0 HA LYS A 113 14.092 1.437 -4.295 1.00 0.70 H new ATOM 0 HB2 LYS A 113 13.994 -1.421 -3.414 1.00 0.79 H new ATOM 0 HB3 LYS A 113 15.491 -0.999 -4.221 1.00 0.79 H new ATOM 0 HG2 LYS A 113 16.166 0.421 -2.524 1.00 1.42 H new ATOM 0 HG3 LYS A 113 14.548 1.041 -2.258 1.00 1.42 H new ATOM 0 HD2 LYS A 113 13.972 -0.686 -0.774 1.00 1.84 H new ATOM 0 HD3 LYS A 113 15.048 -1.844 -1.529 1.00 1.84 H new ATOM 0 HE2 LYS A 113 16.890 -1.158 -0.261 1.00 2.39 H new ATOM 0 HE3 LYS A 113 16.419 0.530 -0.294 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 16.071 -0.697 1.901 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 14.729 0.163 1.314 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 14.798 -1.524 1.139 1.00 2.86 H new ATOM 1750 N LYS A 114 13.351 0.224 -6.931 1.00 0.71 N ATOM 1751 CA LYS A 114 13.692 0.066 -8.374 1.00 0.89 C ATOM 1752 C LYS A 114 14.278 1.370 -8.921 1.00 1.07 C ATOM 1753 O LYS A 114 15.252 1.369 -9.647 1.00 1.31 O ATOM 1754 CB LYS A 114 12.365 -0.255 -9.060 1.00 0.92 C ATOM 1755 CG LYS A 114 12.624 -0.655 -10.513 1.00 1.45 C ATOM 1756 CD LYS A 114 11.374 -1.327 -11.087 1.00 1.77 C ATOM 1757 CE LYS A 114 11.759 -2.163 -12.310 1.00 2.49 C ATOM 1758 NZ LYS A 114 12.002 -1.170 -13.394 1.00 3.00 N ATOM 0 H LYS A 114 12.356 0.317 -6.728 1.00 0.71 H new ATOM 0 HA LYS A 114 14.436 -0.713 -8.542 1.00 0.89 H new ATOM 0 HB2 LYS A 114 11.858 -1.064 -8.534 1.00 0.92 H new ATOM 0 HB3 LYS A 114 11.705 0.612 -9.023 1.00 0.92 H new ATOM 0 HG2 LYS A 114 12.881 0.225 -11.103 1.00 1.45 H new ATOM 0 HG3 LYS A 114 13.474 -1.335 -10.568 1.00 1.45 H new ATOM 0 HD2 LYS A 114 10.910 -1.961 -10.332 1.00 1.77 H new ATOM 0 HD3 LYS A 114 10.638 -0.573 -11.366 1.00 1.77 H new ATOM 0 HE2 LYS A 114 12.649 -2.761 -12.115 1.00 2.49 H new ATOM 0 HE3 LYS A 114 10.963 -2.856 -12.581 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 11.348 -1.349 -14.182 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 11.846 -0.210 -13.026 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 12.982 -1.257 -13.731 1.00 3.00 H new ATOM 1772 N ARG A 115 13.692 2.483 -8.573 1.00 1.09 N ATOM 1773 CA ARG A 115 14.214 3.789 -9.069 1.00 1.40 C ATOM 1774 C ARG A 115 14.767 4.612 -7.901 1.00 1.25 C ATOM 1775 O ARG A 115 15.564 5.510 -8.085 1.00 1.55 O ATOM 1776 CB ARG A 115 13.007 4.488 -9.696 1.00 1.86 C ATOM 1777 CG ARG A 115 11.877 4.580 -8.669 1.00 2.43 C ATOM 1778 CD ARG A 115 11.112 5.891 -8.866 1.00 2.92 C ATOM 1779 NE ARG A 115 9.706 5.573 -8.494 1.00 3.45 N ATOM 1780 CZ ARG A 115 9.209 6.024 -7.374 1.00 3.99 C ATOM 1781 NH1 ARG A 115 8.844 7.272 -7.279 1.00 4.34 N ATOM 1782 NH2 ARG A 115 9.079 5.226 -6.349 1.00 4.52 N ATOM 0 H ARG A 115 12.874 2.545 -7.967 1.00 1.09 H new ATOM 0 HA ARG A 115 15.027 3.665 -9.784 1.00 1.40 H new ATOM 0 HB2 ARG A 115 13.287 5.486 -10.034 1.00 1.86 H new ATOM 0 HB3 ARG A 115 12.670 3.937 -10.574 1.00 1.86 H new ATOM 0 HG2 ARG A 115 11.201 3.732 -8.780 1.00 2.43 H new ATOM 0 HG3 ARG A 115 12.285 4.533 -7.659 1.00 2.43 H new ATOM 0 HD2 ARG A 115 11.518 6.684 -8.237 1.00 2.92 H new ATOM 0 HD3 ARG A 115 11.179 6.237 -9.898 1.00 2.92 H new ATOM 0 HE ARG A 115 9.131 5.003 -9.114 1.00 3.45 H new ATOM 0 HH11 ARG A 115 8.947 7.896 -8.079 1.00 4.34 H new ATOM 0 HH12 ARG A 115 8.456 7.625 -6.404 1.00 4.34 H new ATOM 0 HH21 ARG A 115 9.366 4.250 -6.423 1.00 4.52 H new ATOM 0 HH22 ARG A 115 8.691 5.579 -5.474 1.00 4.52 H new ATOM 1796 N THR A 116 14.347 4.313 -6.700 1.00 1.09 N ATOM 1797 CA THR A 116 14.849 5.079 -5.522 1.00 1.33 C ATOM 1798 C THR A 116 15.744 4.186 -4.658 1.00 1.97 C ATOM 1799 O THR A 116 15.846 4.368 -3.461 1.00 2.63 O ATOM 1800 CB THR A 116 13.595 5.491 -4.745 1.00 1.60 C ATOM 1801 OG1 THR A 116 12.583 4.508 -4.918 1.00 2.17 O ATOM 1802 CG2 THR A 116 13.092 6.841 -5.259 1.00 1.81 C ATOM 0 H THR A 116 13.679 3.573 -6.484 1.00 1.09 H new ATOM 0 HA THR A 116 15.445 5.943 -5.816 1.00 1.33 H new ATOM 0 HB THR A 116 13.839 5.577 -3.686 1.00 1.60 H new ATOM 0 HG1 THR A 116 12.901 3.647 -4.574 1.00 2.17 H new ATOM 0 HG21 THR A 116 12.200 7.132 -4.705 1.00 1.81 H new ATOM 0 HG22 THR A 116 13.867 7.595 -5.121 1.00 1.81 H new ATOM 0 HG23 THR A 116 12.850 6.760 -6.319 1.00 1.81 H new ATOM 1810 N GLY A 117 16.392 3.222 -5.253 1.00 2.26 N ATOM 1811 CA GLY A 117 17.278 2.320 -4.463 1.00 3.23 C ATOM 1812 C GLY A 117 18.693 2.909 -4.407 1.00 3.72 C ATOM 1813 O GLY A 117 19.023 3.791 -5.175 1.00 3.64 O ATOM 0 H GLY A 117 16.346 3.020 -6.252 1.00 2.26 H new ATOM 0 HA2 GLY A 117 16.884 2.198 -3.454 1.00 3.23 H new ATOM 0 HA3 GLY A 117 17.303 1.329 -4.917 1.00 3.23 H new ATOM 1817 N PRO A 118 19.490 2.403 -3.496 1.00 4.60 N ATOM 1818 CA PRO A 118 20.882 2.896 -3.351 1.00 5.37 C ATOM 1819 C PRO A 118 21.748 2.396 -4.509 1.00 5.55 C ATOM 1820 O PRO A 118 22.433 1.398 -4.400 1.00 5.89 O ATOM 1821 CB PRO A 118 21.343 2.292 -2.028 1.00 6.27 C ATOM 1822 CG PRO A 118 20.493 1.074 -1.841 1.00 6.17 C ATOM 1823 CD PRO A 118 19.178 1.340 -2.529 1.00 5.22 C ATOM 0 HA PRO A 118 20.954 3.984 -3.364 1.00 5.37 H new ATOM 0 HB2 PRO A 118 22.401 2.034 -2.060 1.00 6.27 H new ATOM 0 HB3 PRO A 118 21.211 2.995 -1.206 1.00 6.27 H new ATOM 0 HG2 PRO A 118 20.979 0.196 -2.266 1.00 6.17 H new ATOM 0 HG3 PRO A 118 20.339 0.871 -0.781 1.00 6.17 H new ATOM 0 HD2 PRO A 118 18.800 0.447 -3.026 1.00 5.22 H new ATOM 0 HD3 PRO A 118 18.414 1.658 -1.820 1.00 5.22 H new ATOM 1831 N ALA A 119 21.722 3.081 -5.620 1.00 5.74 N ATOM 1832 CA ALA A 119 22.544 2.642 -6.785 1.00 6.37 C ATOM 1833 C ALA A 119 23.992 3.112 -6.620 1.00 7.12 C ATOM 1834 O ALA A 119 24.277 4.292 -6.638 1.00 7.52 O ATOM 1835 CB ALA A 119 21.896 3.311 -7.998 1.00 6.62 C ATOM 0 H ALA A 119 21.168 3.924 -5.772 1.00 5.74 H new ATOM 0 HA ALA A 119 22.574 1.557 -6.885 1.00 6.37 H new ATOM 0 HB1 ALA A 119 22.444 3.038 -8.900 1.00 6.62 H new ATOM 0 HB2 ALA A 119 20.861 2.979 -8.087 1.00 6.62 H new ATOM 0 HB3 ALA A 119 21.920 4.394 -7.873 1.00 6.62 H new ATOM 1841 N ALA A 120 24.908 2.195 -6.461 1.00 7.64 N ATOM 1842 CA ALA A 120 26.337 2.589 -6.296 1.00 8.64 C ATOM 1843 C ALA A 120 27.241 1.360 -6.418 1.00 9.09 C ATOM 1844 O ALA A 120 27.323 0.612 -5.458 1.00 9.37 O ATOM 1845 CB ALA A 120 26.426 3.182 -4.890 1.00 9.17 C ATOM 1846 OXT ALA A 120 27.835 1.188 -7.469 1.00 9.38 O ATOM 0 H ALA A 120 24.729 1.191 -6.438 1.00 7.64 H new ATOM 0 HA ALA A 120 26.660 3.298 -7.058 1.00 8.64 H new ATOM 0 HB1 ALA A 120 27.451 3.497 -4.692 1.00 9.17 H new ATOM 0 HB2 ALA A 120 25.761 4.042 -4.815 1.00 9.17 H new ATOM 0 HB3 ALA A 120 26.130 2.430 -4.159 1.00 9.17 H new TER 1852 ALA A 120