USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 680 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 ASN : amide:sc= -0.405! C(o=0.63!,f=-4.8!) USER MOD Set 1.2: A 58 SER OG : rot 167:sc= 1.03 USER MOD Single : A 13 ASN : amide:sc= -0.58 K(o=-0.58,f=-2.3) USER MOD Single : A 14 ASN : amide:sc= -2.11! C(o=-2.1!,f=-1.8!) USER MOD Single : A 17 MET CE :methyl 171:sc= -0.0434 (180deg=-0.16) USER MOD Single : A 18 THR OG1 : rot 79:sc= 1.25 USER MOD Single : A 19 TYR OH : rot 25:sc= 1.24 USER MOD Single : A 26 SER OG : rot 180:sc= -1.38 USER MOD Single : A 28 ASN : amide:sc= 0.171 K(o=0.17,f=-1.6!) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 MET CE :methyl -158:sc=-0.000593 (180deg=-0.159) USER MOD Single : A 39 ASN : amide:sc= -1.97 K(o=-2,f=-3.5!) USER MOD Single : A 41 MET CE :methyl 153:sc= -0.138 (180deg=-0.814) USER MOD Single : A 44 SER OG : rot 180:sc= 0.176 USER MOD Single : A 47 LYS NZ :NH3+ 170:sc= 0.139 (180deg=0.111) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 177:sc= -2.29! (180deg=-2.38!) USER MOD Single : A 55 MET CE :methyl 158:sc= -0.317 (180deg=-1.29) USER MOD Single : A 62 THR OG1 : rot 56:sc= 0.998 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -168:sc= 1.21 (180deg=1.09) USER MOD Single : A 70 TYR OH : rot 150:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 157:sc= 2.54 (180deg=1.87) USER MOD Single : A 80 THR OG1 : rot -100:sc= 0.0882 USER MOD Single : A 85 SER OG : rot -111:sc= 1.21 USER MOD Single : A 86 LYS NZ :NH3+ -134:sc= 2.38 (180deg=0.594) USER MOD Single : A 87 LYS NZ :NH3+ -155:sc= 1.24 (180deg=1.14) USER MOD Single : A 89 SER OG : rot 180:sc=-0.00713 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 11 18.314 -1.367 -1.810 1.00 3.94 N ATOM 2 CA GLU A 11 17.944 -2.255 -0.695 1.00 3.58 C ATOM 3 C GLU A 11 16.777 -1.675 0.095 1.00 2.90 C ATOM 4 O GLU A 11 15.963 -2.410 0.661 1.00 3.21 O ATOM 5 CB GLU A 11 19.129 -2.531 0.227 1.00 4.35 C ATOM 6 CG GLU A 11 19.601 -3.973 0.210 1.00 5.21 C ATOM 7 CD GLU A 11 18.651 -4.923 0.914 1.00 5.91 C ATOM 8 OE1 GLU A 11 17.693 -5.407 0.274 1.00 6.06 O ATOM 9 OE2 GLU A 11 18.879 -5.217 2.101 1.00 6.57 O ATOM 0 HA GLU A 11 17.634 -3.206 -1.128 1.00 3.58 H new ATOM 0 HB2 GLU A 11 19.958 -1.885 -0.060 1.00 4.35 H new ATOM 0 HB3 GLU A 11 18.853 -2.262 1.247 1.00 4.35 H new ATOM 0 HG2 GLU A 11 19.726 -4.295 -0.824 1.00 5.21 H new ATOM 0 HG3 GLU A 11 20.581 -4.033 0.683 1.00 5.21 H new ATOM 16 N LEU A 12 16.692 -0.349 0.115 1.00 2.57 N ATOM 17 CA LEU A 12 15.632 0.358 0.813 1.00 2.59 C ATOM 18 C LEU A 12 14.373 0.386 -0.048 1.00 1.93 C ATOM 19 O LEU A 12 13.808 1.447 -0.322 1.00 2.11 O ATOM 20 CB LEU A 12 16.072 1.791 1.140 1.00 3.54 C ATOM 21 CG LEU A 12 17.356 1.923 1.960 1.00 4.47 C ATOM 22 CD1 LEU A 12 18.042 3.247 1.650 1.00 5.39 C ATOM 23 CD2 LEU A 12 17.037 1.812 3.439 1.00 5.10 C ATOM 0 H LEU A 12 17.359 0.264 -0.354 1.00 2.57 H new ATOM 0 HA LEU A 12 15.418 -0.164 1.746 1.00 2.59 H new ATOM 0 HB2 LEU A 12 16.204 2.333 0.203 1.00 3.54 H new ATOM 0 HB3 LEU A 12 15.265 2.284 1.682 1.00 3.54 H new ATOM 0 HG LEU A 12 18.038 1.116 1.693 1.00 4.47 H new ATOM 0 HD11 LEU A 12 18.955 3.330 2.239 1.00 5.39 H new ATOM 0 HD12 LEU A 12 18.290 3.289 0.589 1.00 5.39 H new ATOM 0 HD13 LEU A 12 17.373 4.071 1.899 1.00 5.39 H new ATOM 0 HD21 LEU A 12 17.956 1.907 4.018 1.00 5.10 H new ATOM 0 HD22 LEU A 12 16.346 2.606 3.723 1.00 5.10 H new ATOM 0 HD23 LEU A 12 16.580 0.843 3.641 1.00 5.10 H new ATOM 35 N ASN A 13 13.946 -0.794 -0.477 1.00 1.62 N ATOM 36 CA ASN A 13 12.760 -0.932 -1.307 1.00 1.41 C ATOM 37 C ASN A 13 11.510 -0.951 -0.436 1.00 1.08 C ATOM 38 O ASN A 13 10.914 -2.006 -0.191 1.00 1.16 O ATOM 39 CB ASN A 13 12.842 -2.214 -2.147 1.00 2.03 C ATOM 40 CG ASN A 13 12.084 -2.088 -3.455 1.00 2.40 C ATOM 41 OD1 ASN A 13 11.093 -1.360 -3.542 1.00 2.71 O ATOM 42 ND2 ASN A 13 12.539 -2.799 -4.481 1.00 3.15 N ATOM 0 H ASN A 13 14.409 -1.676 -0.261 1.00 1.62 H new ATOM 0 HA ASN A 13 12.705 -0.078 -1.982 1.00 1.41 H new ATOM 0 HB2 ASN A 13 13.887 -2.445 -2.355 1.00 2.03 H new ATOM 0 HB3 ASN A 13 12.439 -3.049 -1.574 1.00 2.03 H new ATOM 0 HD21 ASN A 13 12.064 -2.754 -5.383 1.00 3.15 H new ATOM 0 HD22 ASN A 13 13.363 -3.389 -4.367 1.00 3.15 H new ATOM 49 N ASN A 14 11.121 0.223 0.037 1.00 0.88 N ATOM 50 CA ASN A 14 9.944 0.349 0.883 1.00 0.81 C ATOM 51 C ASN A 14 8.682 0.195 0.047 1.00 0.64 C ATOM 52 O ASN A 14 7.651 -0.250 0.553 1.00 0.66 O ATOM 53 CB ASN A 14 9.935 1.689 1.633 1.00 0.96 C ATOM 54 CG ASN A 14 9.238 2.800 0.870 1.00 1.62 C ATOM 55 OD1 ASN A 14 9.862 3.517 0.091 1.00 2.24 O ATOM 56 ND2 ASN A 14 7.940 2.957 1.094 1.00 2.24 N ATOM 0 H ASN A 14 11.603 1.102 -0.151 1.00 0.88 H new ATOM 0 HA ASN A 14 9.975 -0.446 1.629 1.00 0.81 H new ATOM 0 HB2 ASN A 14 9.443 1.555 2.596 1.00 0.96 H new ATOM 0 HB3 ASN A 14 10.962 1.989 1.839 1.00 0.96 H new ATOM 0 HD21 ASN A 14 7.425 3.693 0.612 1.00 2.24 H new ATOM 0 HD22 ASN A 14 7.457 2.341 1.748 1.00 2.24 H new ATOM 63 N LEU A 15 8.766 0.556 -1.234 1.00 0.56 N ATOM 64 CA LEU A 15 7.618 0.447 -2.129 1.00 0.48 C ATOM 65 C LEU A 15 7.204 -1.013 -2.265 1.00 0.37 C ATOM 66 O LEU A 15 6.013 -1.322 -2.327 1.00 0.33 O ATOM 67 CB LEU A 15 7.947 1.015 -3.512 1.00 0.58 C ATOM 68 CG LEU A 15 6.834 1.838 -4.168 1.00 0.65 C ATOM 69 CD1 LEU A 15 7.398 2.681 -5.298 1.00 0.91 C ATOM 70 CD2 LEU A 15 5.713 0.941 -4.673 1.00 0.60 C ATOM 0 H LEU A 15 9.611 0.924 -1.671 1.00 0.56 H new ATOM 0 HA LEU A 15 6.797 1.023 -1.702 1.00 0.48 H new ATOM 0 HB2 LEU A 15 8.836 1.640 -3.427 1.00 0.58 H new ATOM 0 HB3 LEU A 15 8.202 0.188 -4.174 1.00 0.58 H new ATOM 0 HG LEU A 15 6.413 2.503 -3.414 1.00 0.65 H new ATOM 0 HD11 LEU A 15 6.596 3.260 -5.755 1.00 0.91 H new ATOM 0 HD12 LEU A 15 8.156 3.358 -4.904 1.00 0.91 H new ATOM 0 HD13 LEU A 15 7.848 2.030 -6.048 1.00 0.91 H new ATOM 0 HD21 LEU A 15 4.937 1.553 -5.134 1.00 0.60 H new ATOM 0 HD22 LEU A 15 6.110 0.243 -5.410 1.00 0.60 H new ATOM 0 HD23 LEU A 15 5.288 0.384 -3.838 1.00 0.60 H new ATOM 82 N ARG A 16 8.184 -1.905 -2.286 1.00 0.36 N ATOM 83 CA ARG A 16 7.897 -3.327 -2.388 1.00 0.33 C ATOM 84 C ARG A 16 7.323 -3.830 -1.075 1.00 0.27 C ATOM 85 O ARG A 16 6.384 -4.621 -1.052 1.00 0.28 O ATOM 86 CB ARG A 16 9.161 -4.100 -2.739 1.00 0.40 C ATOM 87 CG ARG A 16 8.889 -5.350 -3.542 1.00 0.65 C ATOM 88 CD ARG A 16 9.989 -5.610 -4.554 1.00 1.29 C ATOM 89 NE ARG A 16 11.055 -6.452 -3.998 1.00 2.05 N ATOM 90 CZ ARG A 16 11.338 -7.690 -4.423 1.00 2.78 C ATOM 91 NH1 ARG A 16 10.630 -8.223 -5.409 1.00 3.11 N ATOM 92 NH2 ARG A 16 12.315 -8.389 -3.861 1.00 3.67 N ATOM 0 H ARG A 16 9.176 -1.672 -2.234 1.00 0.36 H new ATOM 0 HA ARG A 16 7.166 -3.483 -3.181 1.00 0.33 H new ATOM 0 HB2 ARG A 16 9.831 -3.452 -3.304 1.00 0.40 H new ATOM 0 HB3 ARG A 16 9.680 -4.372 -1.820 1.00 0.40 H new ATOM 0 HG2 ARG A 16 8.802 -6.204 -2.870 1.00 0.65 H new ATOM 0 HG3 ARG A 16 7.934 -5.252 -4.058 1.00 0.65 H new ATOM 0 HD2 ARG A 16 9.566 -6.094 -5.434 1.00 1.29 H new ATOM 0 HD3 ARG A 16 10.411 -4.661 -4.884 1.00 1.29 H new ATOM 0 HE ARG A 16 11.617 -6.069 -3.238 1.00 2.05 H new ATOM 0 HH11 ARG A 16 9.874 -7.691 -5.840 1.00 3.11 H new ATOM 0 HH12 ARG A 16 10.841 -9.166 -5.737 1.00 3.11 H new ATOM 0 HH21 ARG A 16 12.858 -7.984 -3.098 1.00 3.67 H new ATOM 0 HH22 ARG A 16 12.523 -9.331 -4.191 1.00 3.67 H new ATOM 106 N MET A 17 7.892 -3.341 0.019 1.00 0.28 N ATOM 107 CA MET A 17 7.449 -3.710 1.362 1.00 0.32 C ATOM 108 C MET A 17 5.989 -3.314 1.562 1.00 0.25 C ATOM 109 O MET A 17 5.188 -4.089 2.099 1.00 0.27 O ATOM 110 CB MET A 17 8.330 -3.031 2.415 1.00 0.45 C ATOM 111 CG MET A 17 7.893 -3.305 3.843 1.00 0.81 C ATOM 112 SD MET A 17 9.171 -2.895 5.051 1.00 1.96 S ATOM 113 CE MET A 17 9.322 -1.124 4.814 1.00 2.93 C ATOM 0 H MET A 17 8.669 -2.681 0.004 1.00 0.28 H new ATOM 0 HA MET A 17 7.538 -4.790 1.475 1.00 0.32 H new ATOM 0 HB2 MET A 17 9.359 -3.368 2.288 1.00 0.45 H new ATOM 0 HB3 MET A 17 8.324 -1.955 2.242 1.00 0.45 H new ATOM 0 HG2 MET A 17 6.994 -2.728 4.061 1.00 0.81 H new ATOM 0 HG3 MET A 17 7.629 -4.358 3.942 1.00 0.81 H new ATOM 0 HE1 MET A 17 9.955 -0.705 5.596 1.00 2.93 H new ATOM 0 HE2 MET A 17 9.769 -0.924 3.840 1.00 2.93 H new ATOM 0 HE3 MET A 17 8.334 -0.665 4.861 1.00 2.93 H new ATOM 123 N THR A 18 5.660 -2.113 1.111 1.00 0.21 N ATOM 124 CA THR A 18 4.302 -1.590 1.206 1.00 0.20 C ATOM 125 C THR A 18 3.358 -2.409 0.329 1.00 0.19 C ATOM 126 O THR A 18 2.306 -2.852 0.782 1.00 0.23 O ATOM 127 CB THR A 18 4.246 -0.102 0.794 1.00 0.27 C ATOM 128 OG1 THR A 18 5.314 0.621 1.420 1.00 0.38 O ATOM 129 CG2 THR A 18 2.916 0.529 1.184 1.00 0.30 C ATOM 0 H THR A 18 6.322 -1.474 0.670 1.00 0.21 H new ATOM 0 HA THR A 18 3.985 -1.668 2.246 1.00 0.20 H new ATOM 0 HB THR A 18 4.350 -0.052 -0.290 1.00 0.27 H new ATOM 0 HG1 THR A 18 6.147 0.464 0.929 1.00 0.38 H new ATOM 0 HG21 THR A 18 2.907 1.576 0.881 1.00 0.30 H new ATOM 0 HG22 THR A 18 2.103 0.000 0.687 1.00 0.30 H new ATOM 0 HG23 THR A 18 2.785 0.463 2.264 1.00 0.30 H new ATOM 137 N TYR A 19 3.757 -2.617 -0.924 1.00 0.21 N ATOM 138 CA TYR A 19 2.965 -3.393 -1.881 1.00 0.28 C ATOM 139 C TYR A 19 2.724 -4.812 -1.357 1.00 0.31 C ATOM 140 O TYR A 19 1.607 -5.324 -1.425 1.00 0.36 O ATOM 141 CB TYR A 19 3.698 -3.439 -3.224 1.00 0.35 C ATOM 142 CG TYR A 19 2.933 -4.119 -4.339 1.00 0.36 C ATOM 143 CD1 TYR A 19 2.031 -3.409 -5.121 1.00 0.32 C ATOM 144 CD2 TYR A 19 3.127 -5.463 -4.613 1.00 0.52 C ATOM 145 CE1 TYR A 19 1.348 -4.019 -6.150 1.00 0.39 C ATOM 146 CE2 TYR A 19 2.445 -6.084 -5.639 1.00 0.59 C ATOM 147 CZ TYR A 19 1.558 -5.356 -6.404 1.00 0.52 C ATOM 148 OH TYR A 19 0.886 -5.968 -7.434 1.00 0.61 O ATOM 0 H TYR A 19 4.632 -2.256 -1.304 1.00 0.21 H new ATOM 0 HA TYR A 19 1.995 -2.913 -2.014 1.00 0.28 H new ATOM 0 HB2 TYR A 19 3.931 -2.419 -3.531 1.00 0.35 H new ATOM 0 HB3 TYR A 19 4.648 -3.955 -3.086 1.00 0.35 H new ATOM 0 HD1 TYR A 19 1.862 -2.362 -4.919 1.00 0.32 H new ATOM 0 HD2 TYR A 19 3.822 -6.033 -4.015 1.00 0.52 H new ATOM 0 HE1 TYR A 19 0.653 -3.453 -6.753 1.00 0.39 H new ATOM 0 HE2 TYR A 19 2.605 -7.133 -5.842 1.00 0.59 H new ATOM 0 HH TYR A 19 0.634 -5.298 -8.104 1.00 0.61 H new ATOM 158 N GLU A 20 3.778 -5.424 -0.825 1.00 0.32 N ATOM 159 CA GLU A 20 3.701 -6.772 -0.275 1.00 0.40 C ATOM 160 C GLU A 20 2.700 -6.828 0.878 1.00 0.35 C ATOM 161 O GLU A 20 1.838 -7.710 0.924 1.00 0.35 O ATOM 162 CB GLU A 20 5.080 -7.210 0.223 1.00 0.51 C ATOM 163 CG GLU A 20 5.797 -8.184 -0.696 1.00 1.21 C ATOM 164 CD GLU A 20 5.344 -8.090 -2.141 1.00 1.65 C ATOM 165 OE1 GLU A 20 5.936 -7.293 -2.900 1.00 1.93 O ATOM 166 OE2 GLU A 20 4.421 -8.835 -2.528 1.00 2.35 O ATOM 0 H GLU A 20 4.704 -5.002 -0.763 1.00 0.32 H new ATOM 0 HA GLU A 20 3.366 -7.447 -1.063 1.00 0.40 H new ATOM 0 HB2 GLU A 20 5.704 -6.326 0.353 1.00 0.51 H new ATOM 0 HB3 GLU A 20 4.969 -7.670 1.205 1.00 0.51 H new ATOM 0 HG2 GLU A 20 6.870 -7.997 -0.646 1.00 1.21 H new ATOM 0 HG3 GLU A 20 5.633 -9.200 -0.336 1.00 1.21 H new ATOM 173 N ARG A 21 2.821 -5.870 1.802 1.00 0.33 N ATOM 174 CA ARG A 21 1.926 -5.800 2.965 1.00 0.32 C ATOM 175 C ARG A 21 0.494 -5.563 2.518 1.00 0.26 C ATOM 176 O ARG A 21 -0.443 -6.072 3.124 1.00 0.29 O ATOM 177 CB ARG A 21 2.359 -4.681 3.927 1.00 0.34 C ATOM 178 CG ARG A 21 2.146 -5.013 5.400 1.00 0.48 C ATOM 179 CD ARG A 21 3.445 -5.424 6.066 1.00 0.87 C ATOM 180 NE ARG A 21 3.820 -4.516 7.148 1.00 1.73 N ATOM 181 CZ ARG A 21 4.755 -4.787 8.064 1.00 2.60 C ATOM 182 NH1 ARG A 21 5.437 -5.930 8.017 1.00 2.99 N ATOM 183 NH2 ARG A 21 5.010 -3.914 9.030 1.00 3.57 N ATOM 0 H ARG A 21 3.527 -5.134 1.769 1.00 0.33 H new ATOM 0 HA ARG A 21 1.985 -6.753 3.490 1.00 0.32 H new ATOM 0 HB2 ARG A 21 3.414 -4.463 3.763 1.00 0.34 H new ATOM 0 HB3 ARG A 21 1.805 -3.774 3.686 1.00 0.34 H new ATOM 0 HG2 ARG A 21 1.730 -4.146 5.914 1.00 0.48 H new ATOM 0 HG3 ARG A 21 1.417 -5.818 5.492 1.00 0.48 H new ATOM 0 HD2 ARG A 21 3.345 -6.435 6.460 1.00 0.87 H new ATOM 0 HD3 ARG A 21 4.241 -5.449 5.322 1.00 0.87 H new ATOM 0 HE ARG A 21 3.338 -3.619 7.208 1.00 1.73 H new ATOM 0 HH11 ARG A 21 5.248 -6.607 7.278 1.00 2.99 H new ATOM 0 HH12 ARG A 21 6.149 -6.128 8.720 1.00 2.99 H new ATOM 0 HH21 ARG A 21 4.493 -3.036 9.074 1.00 3.57 H new ATOM 0 HH22 ARG A 21 5.723 -4.121 9.729 1.00 3.57 H new ATOM 197 N LEU A 22 0.335 -4.809 1.447 1.00 0.22 N ATOM 198 CA LEU A 22 -0.982 -4.513 0.909 1.00 0.20 C ATOM 199 C LEU A 22 -1.569 -5.742 0.228 1.00 0.23 C ATOM 200 O LEU A 22 -2.769 -5.976 0.295 1.00 0.24 O ATOM 201 CB LEU A 22 -0.892 -3.369 -0.104 1.00 0.22 C ATOM 202 CG LEU A 22 -0.946 -1.959 0.486 1.00 0.24 C ATOM 203 CD1 LEU A 22 -0.164 -0.983 -0.380 1.00 0.27 C ATOM 204 CD2 LEU A 22 -2.384 -1.503 0.628 1.00 0.33 C ATOM 0 H LEU A 22 1.106 -4.387 0.929 1.00 0.22 H new ATOM 0 HA LEU A 22 -1.630 -4.219 1.735 1.00 0.20 H new ATOM 0 HB2 LEU A 22 0.038 -3.474 -0.663 1.00 0.22 H new ATOM 0 HB3 LEU A 22 -1.707 -3.476 -0.819 1.00 0.22 H new ATOM 0 HG LEU A 22 -0.487 -1.983 1.475 1.00 0.24 H new ATOM 0 HD11 LEU A 22 -0.216 0.014 0.058 1.00 0.27 H new ATOM 0 HD12 LEU A 22 0.877 -1.301 -0.437 1.00 0.27 H new ATOM 0 HD13 LEU A 22 -0.592 -0.962 -1.382 1.00 0.27 H new ATOM 0 HD21 LEU A 22 -2.407 -0.498 1.049 1.00 0.33 H new ATOM 0 HD22 LEU A 22 -2.862 -1.497 -0.351 1.00 0.33 H new ATOM 0 HD23 LEU A 22 -2.919 -2.186 1.289 1.00 0.33 H new ATOM 216 N ARG A 23 -0.719 -6.515 -0.437 1.00 0.27 N ATOM 217 CA ARG A 23 -1.165 -7.707 -1.144 1.00 0.32 C ATOM 218 C ARG A 23 -1.577 -8.802 -0.165 1.00 0.31 C ATOM 219 O ARG A 23 -2.610 -9.447 -0.346 1.00 0.34 O ATOM 220 CB ARG A 23 -0.048 -8.205 -2.074 1.00 0.39 C ATOM 221 CG ARG A 23 -0.096 -9.697 -2.375 1.00 0.82 C ATOM 222 CD ARG A 23 1.289 -10.321 -2.307 1.00 1.40 C ATOM 223 NE ARG A 23 1.325 -11.488 -1.419 1.00 1.98 N ATOM 224 CZ ARG A 23 1.352 -12.754 -1.837 1.00 2.61 C ATOM 225 NH1 ARG A 23 1.241 -13.035 -3.131 1.00 3.01 N ATOM 226 NH2 ARG A 23 1.466 -13.738 -0.952 1.00 3.33 N ATOM 0 H ARG A 23 0.283 -6.337 -0.501 1.00 0.27 H new ATOM 0 HA ARG A 23 -2.040 -7.451 -1.742 1.00 0.32 H new ATOM 0 HB2 ARG A 23 -0.103 -7.656 -3.014 1.00 0.39 H new ATOM 0 HB3 ARG A 23 0.916 -7.969 -1.623 1.00 0.39 H new ATOM 0 HG2 ARG A 23 -0.755 -10.193 -1.662 1.00 0.82 H new ATOM 0 HG3 ARG A 23 -0.520 -9.856 -3.366 1.00 0.82 H new ATOM 0 HD2 ARG A 23 1.602 -10.618 -3.308 1.00 1.40 H new ATOM 0 HD3 ARG A 23 2.005 -9.577 -1.957 1.00 1.40 H new ATOM 0 HE ARG A 23 1.330 -11.320 -0.413 1.00 1.98 H new ATOM 0 HH11 ARG A 23 1.135 -12.281 -3.809 1.00 3.01 H new ATOM 0 HH12 ARG A 23 1.262 -14.005 -3.446 1.00 3.01 H new ATOM 0 HH21 ARG A 23 1.532 -13.524 0.043 1.00 3.33 H new ATOM 0 HH22 ARG A 23 1.487 -14.708 -1.267 1.00 3.33 H new ATOM 240 N GLU A 24 -0.783 -9.006 0.875 1.00 0.31 N ATOM 241 CA GLU A 24 -1.092 -10.026 1.868 1.00 0.33 C ATOM 242 C GLU A 24 -2.337 -9.641 2.655 1.00 0.28 C ATOM 243 O GLU A 24 -3.143 -10.490 3.036 1.00 0.30 O ATOM 244 CB GLU A 24 0.095 -10.211 2.811 1.00 0.38 C ATOM 245 CG GLU A 24 0.280 -11.646 3.279 1.00 0.61 C ATOM 246 CD GLU A 24 0.744 -12.571 2.170 1.00 1.63 C ATOM 247 OE1 GLU A 24 1.447 -12.106 1.253 1.00 2.24 O ATOM 248 OE2 GLU A 24 0.402 -13.773 2.212 1.00 2.36 O ATOM 0 H GLU A 24 0.075 -8.483 1.054 1.00 0.31 H new ATOM 0 HA GLU A 24 -1.286 -10.968 1.355 1.00 0.33 H new ATOM 0 HB2 GLU A 24 1.004 -9.881 2.307 1.00 0.38 H new ATOM 0 HB3 GLU A 24 -0.038 -9.568 3.681 1.00 0.38 H new ATOM 0 HG2 GLU A 24 1.006 -11.668 4.091 1.00 0.61 H new ATOM 0 HG3 GLU A 24 -0.662 -12.016 3.684 1.00 0.61 H new ATOM 255 N LEU A 25 -2.488 -8.346 2.888 1.00 0.24 N ATOM 256 CA LEU A 25 -3.627 -7.829 3.629 1.00 0.22 C ATOM 257 C LEU A 25 -4.876 -7.905 2.759 1.00 0.18 C ATOM 258 O LEU A 25 -5.943 -8.304 3.222 1.00 0.20 O ATOM 259 CB LEU A 25 -3.354 -6.385 4.048 1.00 0.22 C ATOM 260 CG LEU A 25 -3.741 -5.997 5.486 1.00 0.25 C ATOM 261 CD1 LEU A 25 -4.451 -4.655 5.505 1.00 0.28 C ATOM 262 CD2 LEU A 25 -4.581 -7.079 6.164 1.00 0.28 C ATOM 0 H LEU A 25 -1.832 -7.631 2.573 1.00 0.24 H new ATOM 0 HA LEU A 25 -3.785 -8.429 4.525 1.00 0.22 H new ATOM 0 HB2 LEU A 25 -2.290 -6.188 3.917 1.00 0.22 H new ATOM 0 HB3 LEU A 25 -3.887 -5.726 3.363 1.00 0.22 H new ATOM 0 HG LEU A 25 -2.820 -5.905 6.061 1.00 0.25 H new ATOM 0 HD11 LEU A 25 -4.716 -4.398 6.531 1.00 0.28 H new ATOM 0 HD12 LEU A 25 -3.791 -3.889 5.098 1.00 0.28 H new ATOM 0 HD13 LEU A 25 -5.356 -4.713 4.900 1.00 0.28 H new ATOM 0 HD21 LEU A 25 -4.832 -6.764 7.177 1.00 0.28 H new ATOM 0 HD22 LEU A 25 -5.498 -7.237 5.596 1.00 0.28 H new ATOM 0 HD23 LEU A 25 -4.014 -8.009 6.203 1.00 0.28 H new ATOM 274 N SER A 26 -4.733 -7.520 1.497 1.00 0.17 N ATOM 275 CA SER A 26 -5.840 -7.529 0.550 1.00 0.16 C ATOM 276 C SER A 26 -6.385 -8.938 0.313 1.00 0.19 C ATOM 277 O SER A 26 -7.581 -9.123 0.106 1.00 0.22 O ATOM 278 CB SER A 26 -5.381 -6.914 -0.775 1.00 0.19 C ATOM 279 OG SER A 26 -6.133 -5.760 -1.086 1.00 0.86 O ATOM 0 H SER A 26 -3.850 -7.194 1.103 1.00 0.17 H new ATOM 0 HA SER A 26 -6.650 -6.937 0.977 1.00 0.16 H new ATOM 0 HB2 SER A 26 -4.323 -6.657 -0.714 1.00 0.19 H new ATOM 0 HB3 SER A 26 -5.485 -7.647 -1.575 1.00 0.19 H new ATOM 0 HG SER A 26 -5.820 -5.385 -1.936 1.00 0.86 H new ATOM 285 N LEU A 27 -5.519 -9.930 0.344 1.00 0.23 N ATOM 286 CA LEU A 27 -5.952 -11.297 0.127 1.00 0.28 C ATOM 287 C LEU A 27 -6.596 -11.857 1.383 1.00 0.29 C ATOM 288 O LEU A 27 -7.513 -12.677 1.314 1.00 0.34 O ATOM 289 CB LEU A 27 -4.780 -12.174 -0.296 1.00 0.33 C ATOM 290 CG LEU A 27 -4.769 -12.568 -1.777 1.00 0.42 C ATOM 291 CD1 LEU A 27 -4.467 -11.369 -2.664 1.00 0.54 C ATOM 292 CD2 LEU A 27 -3.759 -13.675 -2.021 1.00 0.60 C ATOM 0 H LEU A 27 -4.520 -9.819 0.516 1.00 0.23 H new ATOM 0 HA LEU A 27 -6.690 -11.295 -0.675 1.00 0.28 H new ATOM 0 HB2 LEU A 27 -3.852 -11.650 -0.068 1.00 0.33 H new ATOM 0 HB3 LEU A 27 -4.789 -13.082 0.306 1.00 0.33 H new ATOM 0 HG LEU A 27 -5.763 -12.934 -2.035 1.00 0.42 H new ATOM 0 HD11 LEU A 27 -4.466 -11.680 -3.709 1.00 0.54 H new ATOM 0 HD12 LEU A 27 -5.229 -10.604 -2.514 1.00 0.54 H new ATOM 0 HD13 LEU A 27 -3.489 -10.962 -2.406 1.00 0.54 H new ATOM 0 HD21 LEU A 27 -3.762 -13.944 -3.077 1.00 0.60 H new ATOM 0 HD22 LEU A 27 -2.765 -13.329 -1.738 1.00 0.60 H new ATOM 0 HD23 LEU A 27 -4.024 -14.547 -1.423 1.00 0.60 H new ATOM 304 N ASN A 28 -6.105 -11.405 2.527 1.00 0.28 N ATOM 305 CA ASN A 28 -6.622 -11.856 3.809 1.00 0.35 C ATOM 306 C ASN A 28 -8.008 -11.283 4.061 1.00 0.35 C ATOM 307 O ASN A 28 -8.964 -12.024 4.283 1.00 0.42 O ATOM 308 CB ASN A 28 -5.681 -11.442 4.936 1.00 0.41 C ATOM 309 CG ASN A 28 -4.812 -12.587 5.416 1.00 0.84 C ATOM 310 OD1 ASN A 28 -5.307 -13.619 5.867 1.00 1.14 O ATOM 311 ND2 ASN A 28 -3.504 -12.421 5.309 1.00 1.31 N ATOM 0 H ASN A 28 -5.348 -10.725 2.593 1.00 0.28 H new ATOM 0 HA ASN A 28 -6.691 -12.943 3.783 1.00 0.35 H new ATOM 0 HB2 ASN A 28 -5.045 -10.626 4.593 1.00 0.41 H new ATOM 0 HB3 ASN A 28 -6.267 -11.059 5.772 1.00 0.41 H new ATOM 0 HD21 ASN A 28 -2.870 -13.163 5.605 1.00 1.31 H new ATOM 0 HD22 ASN A 28 -3.130 -11.551 4.930 1.00 1.31 H new ATOM 318 N LEU A 29 -8.110 -9.957 4.013 1.00 0.33 N ATOM 319 CA LEU A 29 -9.380 -9.276 4.230 1.00 0.38 C ATOM 320 C LEU A 29 -10.354 -9.598 3.106 1.00 0.40 C ATOM 321 O LEU A 29 -11.560 -9.688 3.325 1.00 0.49 O ATOM 322 CB LEU A 29 -9.181 -7.761 4.313 1.00 0.40 C ATOM 323 CG LEU A 29 -8.288 -7.272 5.449 1.00 0.38 C ATOM 324 CD1 LEU A 29 -7.640 -5.958 5.067 1.00 0.36 C ATOM 325 CD2 LEU A 29 -9.089 -7.122 6.730 1.00 0.39 C ATOM 0 H LEU A 29 -7.325 -9.333 3.825 1.00 0.33 H new ATOM 0 HA LEU A 29 -9.790 -9.629 5.176 1.00 0.38 H new ATOM 0 HB2 LEU A 29 -8.758 -7.416 3.369 1.00 0.40 H new ATOM 0 HB3 LEU A 29 -10.159 -7.290 4.415 1.00 0.40 H new ATOM 0 HG LEU A 29 -7.505 -8.010 5.624 1.00 0.38 H new ATOM 0 HD11 LEU A 29 -7.004 -5.615 5.883 1.00 0.36 H new ATOM 0 HD12 LEU A 29 -7.036 -6.097 4.170 1.00 0.36 H new ATOM 0 HD13 LEU A 29 -8.413 -5.214 4.872 1.00 0.36 H new ATOM 0 HD21 LEU A 29 -8.435 -6.772 7.529 1.00 0.39 H new ATOM 0 HD22 LEU A 29 -9.891 -6.400 6.575 1.00 0.39 H new ATOM 0 HD23 LEU A 29 -9.517 -8.086 7.007 1.00 0.39 H new ATOM 337 N GLY A 30 -9.815 -9.768 1.903 1.00 0.35 N ATOM 338 CA GLY A 30 -10.637 -10.076 0.755 1.00 0.43 C ATOM 339 C GLY A 30 -11.378 -11.386 0.912 1.00 0.53 C ATOM 340 O GLY A 30 -12.574 -11.463 0.653 1.00 0.65 O ATOM 0 H GLY A 30 -8.817 -9.697 1.706 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -11.356 -9.271 0.600 1.00 0.43 H new ATOM 0 HA3 GLY A 30 -10.011 -10.120 -0.136 1.00 0.43 H new ATOM 344 N ASN A 31 -10.670 -12.423 1.347 1.00 0.53 N ATOM 345 CA ASN A 31 -11.278 -13.735 1.540 1.00 0.66 C ATOM 346 C ASN A 31 -12.098 -13.775 2.825 1.00 0.71 C ATOM 347 O ASN A 31 -12.887 -14.697 3.042 1.00 0.84 O ATOM 348 CB ASN A 31 -10.206 -14.828 1.566 1.00 0.70 C ATOM 349 CG ASN A 31 -10.717 -16.158 1.036 1.00 1.17 C ATOM 350 OD1 ASN A 31 -11.249 -16.983 1.785 1.00 1.94 O ATOM 351 ND2 ASN A 31 -10.557 -16.372 -0.262 1.00 1.52 N ATOM 0 H ASN A 31 -9.676 -12.381 1.572 1.00 0.53 H new ATOM 0 HA ASN A 31 -11.947 -13.919 0.700 1.00 0.66 H new ATOM 0 HB2 ASN A 31 -9.351 -14.508 0.971 1.00 0.70 H new ATOM 0 HB3 ASN A 31 -9.851 -14.960 2.588 1.00 0.70 H new ATOM 0 HD21 ASN A 31 -10.879 -17.246 -0.678 1.00 1.52 H new ATOM 0 HD22 ASN A 31 -10.112 -15.663 -0.845 1.00 1.52 H new ATOM 358 N ARG A 32 -11.921 -12.767 3.667 1.00 0.66 N ATOM 359 CA ARG A 32 -12.659 -12.683 4.921 1.00 0.77 C ATOM 360 C ARG A 32 -13.943 -11.880 4.718 1.00 0.86 C ATOM 361 O ARG A 32 -14.789 -11.793 5.608 1.00 1.01 O ATOM 362 CB ARG A 32 -11.788 -12.035 6.000 1.00 0.76 C ATOM 363 CG ARG A 32 -11.915 -12.677 7.366 1.00 0.91 C ATOM 364 CD ARG A 32 -10.551 -12.876 8.005 1.00 1.14 C ATOM 365 NE ARG A 32 -9.732 -13.842 7.277 1.00 2.09 N ATOM 366 CZ ARG A 32 -8.457 -14.109 7.569 1.00 2.75 C ATOM 367 NH1 ARG A 32 -7.853 -13.492 8.574 1.00 2.70 N ATOM 368 NH2 ARG A 32 -7.778 -14.977 6.838 1.00 3.82 N ATOM 0 H ARG A 32 -11.273 -11.996 3.506 1.00 0.66 H new ATOM 0 HA ARG A 32 -12.924 -13.689 5.246 1.00 0.77 H new ATOM 0 HB2 ARG A 32 -10.745 -12.079 5.685 1.00 0.76 H new ATOM 0 HB3 ARG A 32 -12.052 -10.981 6.080 1.00 0.76 H new ATOM 0 HG2 ARG A 32 -12.534 -12.051 8.009 1.00 0.91 H new ATOM 0 HG3 ARG A 32 -12.421 -13.638 7.274 1.00 0.91 H new ATOM 0 HD2 ARG A 32 -10.029 -11.920 8.047 1.00 1.14 H new ATOM 0 HD3 ARG A 32 -10.680 -13.214 9.033 1.00 1.14 H new ATOM 0 HE ARG A 32 -10.160 -14.343 6.498 1.00 2.09 H new ATOM 0 HH11 ARG A 32 -8.362 -12.807 9.132 1.00 2.70 H new ATOM 0 HH12 ARG A 32 -6.879 -13.702 8.790 1.00 2.70 H new ATOM 0 HH21 ARG A 32 -8.228 -15.443 6.050 1.00 3.82 H new ATOM 0 HH22 ARG A 32 -6.804 -15.180 7.062 1.00 3.82 H new ATOM 382 N MET A 33 -14.081 -11.316 3.523 1.00 0.83 N ATOM 383 CA MET A 33 -15.255 -10.533 3.162 1.00 0.96 C ATOM 384 C MET A 33 -16.244 -11.409 2.408 1.00 1.17 C ATOM 385 O MET A 33 -15.855 -12.417 1.820 1.00 1.55 O ATOM 386 CB MET A 33 -14.854 -9.338 2.289 1.00 0.80 C ATOM 387 CG MET A 33 -15.481 -8.018 2.714 1.00 0.95 C ATOM 388 SD MET A 33 -14.250 -6.718 2.913 1.00 1.18 S ATOM 389 CE MET A 33 -14.694 -5.625 1.569 1.00 1.84 C ATOM 0 H MET A 33 -13.385 -11.389 2.781 1.00 0.83 H new ATOM 0 HA MET A 33 -15.721 -10.160 4.074 1.00 0.96 H new ATOM 0 HB2 MET A 33 -13.769 -9.235 2.309 1.00 0.80 H new ATOM 0 HB3 MET A 33 -15.136 -9.546 1.257 1.00 0.80 H new ATOM 0 HG2 MET A 33 -16.216 -7.710 1.971 1.00 0.95 H new ATOM 0 HG3 MET A 33 -16.016 -8.157 3.653 1.00 0.95 H new ATOM 0 HE1 MET A 33 -13.837 -5.005 1.306 1.00 1.84 H new ATOM 0 HE2 MET A 33 -14.994 -6.216 0.703 1.00 1.84 H new ATOM 0 HE3 MET A 33 -15.522 -4.987 1.877 1.00 1.84 H new ATOM 399 N VAL A 34 -17.515 -11.032 2.420 1.00 1.22 N ATOM 400 CA VAL A 34 -18.542 -11.798 1.723 1.00 1.41 C ATOM 401 C VAL A 34 -19.436 -10.862 0.910 1.00 1.54 C ATOM 402 O VAL A 34 -20.088 -9.975 1.472 1.00 1.66 O ATOM 403 CB VAL A 34 -19.415 -12.627 2.696 1.00 1.65 C ATOM 404 CG1 VAL A 34 -20.368 -13.511 1.916 1.00 1.87 C ATOM 405 CG2 VAL A 34 -18.563 -13.488 3.620 1.00 1.64 C ATOM 0 H VAL A 34 -17.860 -10.203 2.903 1.00 1.22 H new ATOM 0 HA VAL A 34 -18.028 -12.493 1.059 1.00 1.41 H new ATOM 0 HB VAL A 34 -19.981 -11.926 3.310 1.00 1.65 H new ATOM 0 HG11 VAL A 34 -20.978 -14.090 2.610 1.00 1.87 H new ATOM 0 HG12 VAL A 34 -21.015 -12.890 1.296 1.00 1.87 H new ATOM 0 HG13 VAL A 34 -19.798 -14.189 1.281 1.00 1.87 H new ATOM 0 HG21 VAL A 34 -19.211 -14.055 4.288 1.00 1.64 H new ATOM 0 HG22 VAL A 34 -17.963 -14.177 3.025 1.00 1.64 H new ATOM 0 HG23 VAL A 34 -17.905 -12.849 4.209 1.00 1.64 H new ATOM 415 N PRO A 35 -19.487 -11.031 -0.422 1.00 1.58 N ATOM 416 CA PRO A 35 -18.734 -12.066 -1.145 1.00 1.51 C ATOM 417 C PRO A 35 -17.230 -11.807 -1.134 1.00 1.32 C ATOM 418 O PRO A 35 -16.797 -10.651 -1.163 1.00 1.30 O ATOM 419 CB PRO A 35 -19.280 -11.969 -2.572 1.00 1.71 C ATOM 420 CG PRO A 35 -19.800 -10.579 -2.695 1.00 1.86 C ATOM 421 CD PRO A 35 -20.297 -10.201 -1.330 1.00 1.75 C ATOM 0 HA PRO A 35 -18.856 -13.049 -0.691 1.00 1.51 H new ATOM 0 HB2 PRO A 35 -18.499 -12.164 -3.307 1.00 1.71 H new ATOM 0 HB3 PRO A 35 -20.069 -12.702 -2.743 1.00 1.71 H new ATOM 0 HG2 PRO A 35 -19.017 -9.898 -3.028 1.00 1.86 H new ATOM 0 HG3 PRO A 35 -20.602 -10.526 -3.431 1.00 1.86 H new ATOM 0 HD2 PRO A 35 -20.157 -9.138 -1.133 1.00 1.75 H new ATOM 0 HD3 PRO A 35 -21.361 -10.408 -1.220 1.00 1.75 H new ATOM 429 N PRO A 36 -16.415 -12.877 -1.081 1.00 1.22 N ATOM 430 CA PRO A 36 -14.954 -12.758 -1.059 1.00 1.08 C ATOM 431 C PRO A 36 -14.425 -11.914 -2.210 1.00 1.17 C ATOM 432 O PRO A 36 -14.763 -12.137 -3.378 1.00 1.42 O ATOM 433 CB PRO A 36 -14.474 -14.203 -1.187 1.00 1.12 C ATOM 434 CG PRO A 36 -15.591 -15.014 -0.633 1.00 1.14 C ATOM 435 CD PRO A 36 -16.845 -14.291 -1.030 1.00 1.27 C ATOM 0 HA PRO A 36 -14.600 -12.259 -0.157 1.00 1.08 H new ATOM 0 HB2 PRO A 36 -14.271 -14.464 -2.226 1.00 1.12 H new ATOM 0 HB3 PRO A 36 -13.551 -14.366 -0.631 1.00 1.12 H new ATOM 0 HG2 PRO A 36 -15.578 -16.027 -1.035 1.00 1.14 H new ATOM 0 HG3 PRO A 36 -15.514 -15.100 0.451 1.00 1.14 H new ATOM 0 HD2 PRO A 36 -17.220 -14.633 -1.995 1.00 1.27 H new ATOM 0 HD3 PRO A 36 -17.645 -14.443 -0.305 1.00 1.27 H new ATOM 443 N VAL A 37 -13.609 -10.937 -1.873 1.00 0.99 N ATOM 444 CA VAL A 37 -13.032 -10.049 -2.860 1.00 1.08 C ATOM 445 C VAL A 37 -11.712 -10.610 -3.362 1.00 1.24 C ATOM 446 O VAL A 37 -10.738 -10.678 -2.607 1.00 2.02 O ATOM 447 CB VAL A 37 -12.795 -8.627 -2.290 1.00 0.81 C ATOM 448 CG1 VAL A 37 -13.299 -7.573 -3.263 1.00 0.95 C ATOM 449 CG2 VAL A 37 -13.465 -8.464 -0.933 1.00 0.81 C ATOM 0 H VAL A 37 -13.328 -10.737 -0.913 1.00 0.99 H new ATOM 0 HA VAL A 37 -13.744 -9.974 -3.682 1.00 1.08 H new ATOM 0 HB VAL A 37 -11.722 -8.491 -2.155 1.00 0.81 H new ATOM 0 HG11 VAL A 37 -13.125 -6.581 -2.847 1.00 0.95 H new ATOM 0 HG12 VAL A 37 -12.767 -7.668 -4.210 1.00 0.95 H new ATOM 0 HG13 VAL A 37 -14.367 -7.714 -3.431 1.00 0.95 H new ATOM 0 HG21 VAL A 37 -13.283 -7.458 -0.556 1.00 0.81 H new ATOM 0 HG22 VAL A 37 -14.538 -8.625 -1.035 1.00 0.81 H new ATOM 0 HG23 VAL A 37 -13.054 -9.193 -0.234 1.00 0.81 H new ATOM 459 N GLY A 38 -11.672 -11.000 -4.637 1.00 1.18 N ATOM 460 CA GLY A 38 -10.446 -11.526 -5.205 1.00 1.27 C ATOM 461 C GLY A 38 -9.395 -10.446 -5.224 1.00 1.09 C ATOM 462 O GLY A 38 -8.196 -10.708 -5.165 1.00 1.23 O ATOM 0 H GLY A 38 -12.463 -10.960 -5.280 1.00 1.18 H new ATOM 0 HA2 GLY A 38 -10.097 -12.377 -4.619 1.00 1.27 H new ATOM 0 HA3 GLY A 38 -10.628 -11.889 -6.217 1.00 1.27 H new ATOM 466 N ASN A 39 -9.879 -9.211 -5.271 1.00 0.92 N ATOM 467 CA ASN A 39 -9.025 -8.043 -5.264 1.00 0.82 C ATOM 468 C ASN A 39 -9.612 -6.992 -4.332 1.00 0.64 C ATOM 469 O ASN A 39 -10.294 -6.060 -4.767 1.00 0.74 O ATOM 470 CB ASN A 39 -8.852 -7.480 -6.677 1.00 0.99 C ATOM 471 CG ASN A 39 -7.396 -7.335 -7.053 1.00 1.44 C ATOM 472 OD1 ASN A 39 -7.000 -6.347 -7.674 1.00 2.12 O ATOM 473 ND2 ASN A 39 -6.584 -8.313 -6.674 1.00 2.13 N ATOM 0 H ASN A 39 -10.875 -8.997 -5.315 1.00 0.92 H new ATOM 0 HA ASN A 39 -8.038 -8.330 -4.903 1.00 0.82 H new ATOM 0 HB2 ASN A 39 -9.348 -8.136 -7.392 1.00 0.99 H new ATOM 0 HB3 ASN A 39 -9.342 -6.509 -6.743 1.00 0.99 H new ATOM 0 HD21 ASN A 39 -5.589 -8.265 -6.895 1.00 2.13 H new ATOM 0 HD22 ASN A 39 -6.954 -9.113 -6.161 1.00 2.13 H new ATOM 480 N PHE A 40 -9.344 -7.173 -3.037 1.00 0.46 N ATOM 481 CA PHE A 40 -9.822 -6.274 -1.982 1.00 0.32 C ATOM 482 C PHE A 40 -9.496 -4.824 -2.352 1.00 0.28 C ATOM 483 O PHE A 40 -10.286 -3.903 -2.126 1.00 0.52 O ATOM 484 CB PHE A 40 -9.163 -6.694 -0.661 1.00 0.24 C ATOM 485 CG PHE A 40 -9.417 -5.799 0.522 1.00 0.22 C ATOM 486 CD1 PHE A 40 -10.715 -5.577 0.957 1.00 0.30 C ATOM 487 CD2 PHE A 40 -8.375 -5.172 1.182 1.00 0.20 C ATOM 488 CE1 PHE A 40 -10.976 -4.749 2.029 1.00 0.37 C ATOM 489 CE2 PHE A 40 -8.627 -4.339 2.257 1.00 0.26 C ATOM 490 CZ PHE A 40 -9.844 -4.169 2.733 1.00 0.33 C ATOM 0 H PHE A 40 -8.786 -7.952 -2.688 1.00 0.46 H new ATOM 0 HA PHE A 40 -10.904 -6.341 -1.870 1.00 0.32 H new ATOM 0 HB2 PHE A 40 -9.506 -7.698 -0.411 1.00 0.24 H new ATOM 0 HB3 PHE A 40 -8.086 -6.755 -0.819 1.00 0.24 H new ATOM 0 HD1 PHE A 40 -11.535 -6.061 0.448 1.00 0.30 H new ATOM 0 HD2 PHE A 40 -7.358 -5.334 0.856 1.00 0.20 H new ATOM 0 HE1 PHE A 40 -11.990 -4.538 2.336 1.00 0.37 H new ATOM 0 HE2 PHE A 40 -7.804 -3.814 2.719 1.00 0.26 H new ATOM 0 HZ PHE A 40 -9.999 -3.603 3.640 1.00 0.33 H new ATOM 500 N MET A 41 -8.345 -4.660 -2.980 1.00 0.22 N ATOM 501 CA MET A 41 -7.889 -3.379 -3.469 1.00 0.18 C ATOM 502 C MET A 41 -7.196 -3.621 -4.794 1.00 0.20 C ATOM 503 O MET A 41 -6.308 -4.468 -4.873 1.00 0.24 O ATOM 504 CB MET A 41 -6.927 -2.715 -2.482 1.00 0.17 C ATOM 505 CG MET A 41 -6.718 -1.230 -2.718 1.00 0.21 C ATOM 506 SD MET A 41 -8.264 -0.320 -2.911 1.00 0.28 S ATOM 507 CE MET A 41 -8.399 0.472 -1.312 1.00 0.25 C ATOM 0 H MET A 41 -7.696 -5.425 -3.165 1.00 0.22 H new ATOM 0 HA MET A 41 -8.737 -2.705 -3.589 1.00 0.18 H new ATOM 0 HB2 MET A 41 -7.305 -2.861 -1.470 1.00 0.17 H new ATOM 0 HB3 MET A 41 -5.962 -3.219 -2.538 1.00 0.17 H new ATOM 0 HG2 MET A 41 -6.158 -0.811 -1.882 1.00 0.21 H new ATOM 0 HG3 MET A 41 -6.108 -1.092 -3.611 1.00 0.21 H new ATOM 0 HE1 MET A 41 -8.976 1.392 -1.409 1.00 0.25 H new ATOM 0 HE2 MET A 41 -8.901 -0.199 -0.615 1.00 0.25 H new ATOM 0 HE3 MET A 41 -7.403 0.706 -0.937 1.00 0.25 H new ATOM 517 N PRO A 42 -7.607 -2.930 -5.860 1.00 0.20 N ATOM 518 CA PRO A 42 -7.012 -3.126 -7.181 1.00 0.24 C ATOM 519 C PRO A 42 -5.507 -2.912 -7.173 1.00 0.21 C ATOM 520 O PRO A 42 -5.009 -2.018 -6.486 1.00 0.20 O ATOM 521 CB PRO A 42 -7.704 -2.077 -8.052 1.00 0.29 C ATOM 522 CG PRO A 42 -8.986 -1.782 -7.348 1.00 0.27 C ATOM 523 CD PRO A 42 -8.697 -1.931 -5.884 1.00 0.23 C ATOM 0 HA PRO A 42 -7.150 -4.146 -7.541 1.00 0.24 H new ATOM 0 HB2 PRO A 42 -7.092 -1.180 -8.152 1.00 0.29 H new ATOM 0 HB3 PRO A 42 -7.883 -2.455 -9.059 1.00 0.29 H new ATOM 0 HG2 PRO A 42 -9.334 -0.775 -7.577 1.00 0.27 H new ATOM 0 HG3 PRO A 42 -9.771 -2.469 -7.663 1.00 0.27 H new ATOM 0 HD2 PRO A 42 -8.389 -0.987 -5.435 1.00 0.23 H new ATOM 0 HD3 PRO A 42 -9.572 -2.275 -5.333 1.00 0.23 H new ATOM 531 N ASP A 43 -4.797 -3.741 -7.934 1.00 0.23 N ATOM 532 CA ASP A 43 -3.343 -3.663 -8.033 1.00 0.23 C ATOM 533 C ASP A 43 -2.904 -2.234 -8.364 1.00 0.22 C ATOM 534 O ASP A 43 -1.885 -1.752 -7.868 1.00 0.23 O ATOM 535 CB ASP A 43 -2.837 -4.654 -9.090 1.00 0.29 C ATOM 536 CG ASP A 43 -1.529 -4.230 -9.737 1.00 0.78 C ATOM 537 OD1 ASP A 43 -1.569 -3.458 -10.717 1.00 1.08 O ATOM 538 OD2 ASP A 43 -0.452 -4.635 -9.244 1.00 1.51 O ATOM 0 H ASP A 43 -5.212 -4.483 -8.497 1.00 0.23 H new ATOM 0 HA ASP A 43 -2.907 -3.932 -7.071 1.00 0.23 H new ATOM 0 HB2 ASP A 43 -2.705 -5.632 -8.627 1.00 0.29 H new ATOM 0 HB3 ASP A 43 -3.596 -4.768 -9.864 1.00 0.29 H new ATOM 543 N SER A 44 -3.709 -1.557 -9.186 1.00 0.23 N ATOM 544 CA SER A 44 -3.450 -0.176 -9.580 1.00 0.25 C ATOM 545 C SER A 44 -3.431 0.746 -8.358 1.00 0.23 C ATOM 546 O SER A 44 -2.493 1.526 -8.166 1.00 0.26 O ATOM 547 CB SER A 44 -4.525 0.270 -10.579 1.00 0.32 C ATOM 548 OG SER A 44 -5.233 -0.851 -11.089 1.00 0.57 O ATOM 0 H SER A 44 -4.556 -1.952 -9.595 1.00 0.23 H new ATOM 0 HA SER A 44 -2.469 -0.116 -10.052 1.00 0.25 H new ATOM 0 HB2 SER A 44 -5.220 0.954 -10.092 1.00 0.32 H new ATOM 0 HB3 SER A 44 -4.061 0.817 -11.400 1.00 0.32 H new ATOM 0 HG SER A 44 -5.915 -0.546 -11.723 1.00 0.57 H new ATOM 554 N ILE A 45 -4.459 0.639 -7.519 1.00 0.21 N ATOM 555 CA ILE A 45 -4.540 1.447 -6.312 1.00 0.21 C ATOM 556 C ILE A 45 -3.476 1.008 -5.306 1.00 0.17 C ATOM 557 O ILE A 45 -2.906 1.843 -4.608 1.00 0.18 O ATOM 558 CB ILE A 45 -5.936 1.367 -5.650 1.00 0.24 C ATOM 559 CG1 ILE A 45 -7.044 1.524 -6.706 1.00 0.30 C ATOM 560 CG2 ILE A 45 -6.062 2.431 -4.557 1.00 0.25 C ATOM 561 CD1 ILE A 45 -7.659 2.905 -6.763 1.00 0.34 C ATOM 0 H ILE A 45 -5.244 0.002 -7.655 1.00 0.21 H new ATOM 0 HA ILE A 45 -4.366 2.481 -6.608 1.00 0.21 H new ATOM 0 HB ILE A 45 -6.051 0.387 -5.188 1.00 0.24 H new ATOM 0 HG12 ILE A 45 -6.633 1.282 -7.686 1.00 0.30 H new ATOM 0 HG13 ILE A 45 -7.830 0.797 -6.502 1.00 0.30 H new ATOM 0 HG21 ILE A 45 -7.048 2.366 -4.098 1.00 0.25 H new ATOM 0 HG22 ILE A 45 -5.297 2.266 -3.798 1.00 0.25 H new ATOM 0 HG23 ILE A 45 -5.931 3.420 -4.995 1.00 0.25 H new ATOM 0 HD11 ILE A 45 -8.430 2.928 -7.533 1.00 0.34 H new ATOM 0 HD12 ILE A 45 -8.103 3.146 -5.797 1.00 0.34 H new ATOM 0 HD13 ILE A 45 -6.887 3.637 -7.000 1.00 0.34 H new ATOM 573 N LEU A 46 -3.198 -0.295 -5.252 1.00 0.16 N ATOM 574 CA LEU A 46 -2.190 -0.813 -4.339 1.00 0.16 C ATOM 575 C LEU A 46 -0.825 -0.210 -4.657 1.00 0.16 C ATOM 576 O LEU A 46 -0.042 0.075 -3.758 1.00 0.19 O ATOM 577 CB LEU A 46 -2.086 -2.344 -4.419 1.00 0.18 C ATOM 578 CG LEU A 46 -3.307 -3.133 -3.948 1.00 0.18 C ATOM 579 CD1 LEU A 46 -3.210 -4.564 -4.440 1.00 0.26 C ATOM 580 CD2 LEU A 46 -3.412 -3.114 -2.433 1.00 0.19 C ATOM 0 H LEU A 46 -3.655 -1.003 -5.827 1.00 0.16 H new ATOM 0 HA LEU A 46 -2.496 -0.535 -3.331 1.00 0.16 H new ATOM 0 HB2 LEU A 46 -1.880 -2.619 -5.453 1.00 0.18 H new ATOM 0 HB3 LEU A 46 -1.226 -2.660 -3.828 1.00 0.18 H new ATOM 0 HG LEU A 46 -4.202 -2.665 -4.359 1.00 0.18 H new ATOM 0 HD11 LEU A 46 -4.082 -5.125 -4.103 1.00 0.26 H new ATOM 0 HD12 LEU A 46 -3.172 -4.572 -5.529 1.00 0.26 H new ATOM 0 HD13 LEU A 46 -2.306 -5.025 -4.042 1.00 0.26 H new ATOM 0 HD21 LEU A 46 -4.289 -3.682 -2.122 1.00 0.19 H new ATOM 0 HD22 LEU A 46 -2.517 -3.562 -2.001 1.00 0.19 H new ATOM 0 HD23 LEU A 46 -3.506 -2.084 -2.088 1.00 0.19 H new ATOM 592 N LYS A 47 -0.549 -0.020 -5.942 1.00 0.17 N ATOM 593 CA LYS A 47 0.727 0.537 -6.374 1.00 0.19 C ATOM 594 C LYS A 47 0.868 2.018 -6.027 1.00 0.18 C ATOM 595 O LYS A 47 1.867 2.424 -5.435 1.00 0.20 O ATOM 596 CB LYS A 47 0.919 0.325 -7.876 1.00 0.24 C ATOM 597 CG LYS A 47 1.713 -0.933 -8.196 1.00 0.31 C ATOM 598 CD LYS A 47 1.597 -1.330 -9.662 1.00 0.44 C ATOM 599 CE LYS A 47 2.000 -2.782 -9.874 1.00 0.88 C ATOM 600 NZ LYS A 47 1.595 -3.282 -11.207 1.00 0.97 N ATOM 0 H LYS A 47 -1.191 -0.243 -6.702 1.00 0.17 H new ATOM 0 HA LYS A 47 1.507 0.005 -5.830 1.00 0.19 H new ATOM 0 HB2 LYS A 47 -0.057 0.266 -8.358 1.00 0.24 H new ATOM 0 HB3 LYS A 47 1.431 1.190 -8.298 1.00 0.24 H new ATOM 0 HG2 LYS A 47 2.762 -0.772 -7.947 1.00 0.31 H new ATOM 0 HG3 LYS A 47 1.359 -1.753 -7.570 1.00 0.31 H new ATOM 0 HD2 LYS A 47 0.572 -1.181 -10.001 1.00 0.44 H new ATOM 0 HD3 LYS A 47 2.230 -0.682 -10.268 1.00 0.44 H new ATOM 0 HE2 LYS A 47 3.080 -2.878 -9.764 1.00 0.88 H new ATOM 0 HE3 LYS A 47 1.544 -3.401 -9.101 1.00 0.88 H new ATOM 0 HZ1 LYS A 47 2.032 -4.210 -11.377 1.00 0.97 H new ATOM 0 HZ2 LYS A 47 0.560 -3.375 -11.243 1.00 0.97 H new ATOM 0 HZ3 LYS A 47 1.908 -2.613 -11.939 1.00 0.97 H new ATOM 614 N LYS A 48 -0.117 2.829 -6.388 1.00 0.17 N ATOM 615 CA LYS A 48 -0.047 4.259 -6.103 1.00 0.18 C ATOM 616 C LYS A 48 -0.099 4.530 -4.604 1.00 0.18 C ATOM 617 O LYS A 48 0.604 5.408 -4.101 1.00 0.20 O ATOM 618 CB LYS A 48 -1.163 5.034 -6.806 1.00 0.20 C ATOM 619 CG LYS A 48 -2.496 4.307 -6.875 1.00 0.31 C ATOM 620 CD LYS A 48 -3.504 5.072 -7.728 1.00 0.32 C ATOM 621 CE LYS A 48 -3.755 4.381 -9.060 1.00 0.45 C ATOM 622 NZ LYS A 48 -4.561 5.216 -9.997 1.00 0.77 N ATOM 0 H LYS A 48 -0.963 2.529 -6.872 1.00 0.17 H new ATOM 0 HA LYS A 48 0.910 4.607 -6.491 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -1.309 5.983 -6.290 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -0.840 5.269 -7.820 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -2.348 3.310 -7.291 1.00 0.31 H new ATOM 0 HG3 LYS A 48 -2.894 4.177 -5.869 1.00 0.31 H new ATOM 0 HD2 LYS A 48 -4.444 5.166 -7.184 1.00 0.32 H new ATOM 0 HD3 LYS A 48 -3.137 6.083 -7.906 1.00 0.32 H new ATOM 0 HE2 LYS A 48 -2.799 4.139 -9.525 1.00 0.45 H new ATOM 0 HE3 LYS A 48 -4.272 3.438 -8.884 1.00 0.45 H new ATOM 0 HZ1 LYS A 48 -4.703 4.699 -10.888 1.00 0.77 H new ATOM 0 HZ2 LYS A 48 -5.485 5.426 -9.568 1.00 0.77 H new ATOM 0 HZ3 LYS A 48 -4.058 6.106 -10.189 1.00 0.77 H new ATOM 636 N MET A 49 -0.922 3.773 -3.891 1.00 0.17 N ATOM 637 CA MET A 49 -1.049 3.942 -2.452 1.00 0.17 C ATOM 638 C MET A 49 0.241 3.513 -1.756 1.00 0.17 C ATOM 639 O MET A 49 0.599 4.050 -0.714 1.00 0.19 O ATOM 640 CB MET A 49 -2.274 3.183 -1.915 1.00 0.17 C ATOM 641 CG MET A 49 -1.952 1.994 -1.038 1.00 0.19 C ATOM 642 SD MET A 49 -3.062 1.875 0.378 1.00 1.07 S ATOM 643 CE MET A 49 -4.485 1.066 -0.355 1.00 0.22 C ATOM 0 H MET A 49 -1.510 3.038 -4.285 1.00 0.17 H new ATOM 0 HA MET A 49 -1.210 4.998 -2.233 1.00 0.17 H new ATOM 0 HB2 MET A 49 -2.893 3.877 -1.347 1.00 0.17 H new ATOM 0 HB3 MET A 49 -2.871 2.841 -2.761 1.00 0.17 H new ATOM 0 HG2 MET A 49 -2.019 1.080 -1.628 1.00 0.19 H new ATOM 0 HG3 MET A 49 -0.923 2.072 -0.686 1.00 0.19 H new ATOM 0 HE1 MET A 49 -5.233 0.878 0.415 1.00 0.22 H new ATOM 0 HE2 MET A 49 -4.911 1.708 -1.126 1.00 0.22 H new ATOM 0 HE3 MET A 49 -4.177 0.120 -0.800 1.00 0.22 H new ATOM 653 N ALA A 50 0.944 2.562 -2.354 1.00 0.16 N ATOM 654 CA ALA A 50 2.202 2.088 -1.798 1.00 0.17 C ATOM 655 C ALA A 50 3.340 3.046 -2.130 1.00 0.18 C ATOM 656 O ALA A 50 4.310 3.152 -1.385 1.00 0.22 O ATOM 657 CB ALA A 50 2.526 0.702 -2.324 1.00 0.19 C ATOM 0 H ALA A 50 0.665 2.105 -3.222 1.00 0.16 H new ATOM 0 HA ALA A 50 2.093 2.041 -0.715 1.00 0.17 H new ATOM 0 HB1 ALA A 50 3.470 0.363 -1.898 1.00 0.19 H new ATOM 0 HB2 ALA A 50 1.732 0.011 -2.042 1.00 0.19 H new ATOM 0 HB3 ALA A 50 2.609 0.735 -3.410 1.00 0.19 H new ATOM 663 N ALA A 51 3.227 3.725 -3.262 1.00 0.18 N ATOM 664 CA ALA A 51 4.259 4.654 -3.700 1.00 0.22 C ATOM 665 C ALA A 51 4.120 6.012 -3.021 1.00 0.24 C ATOM 666 O ALA A 51 5.116 6.635 -2.652 1.00 0.30 O ATOM 667 CB ALA A 51 4.208 4.809 -5.212 1.00 0.25 C ATOM 0 H ALA A 51 2.430 3.650 -3.895 1.00 0.18 H new ATOM 0 HA ALA A 51 5.226 4.242 -3.412 1.00 0.22 H new ATOM 0 HB1 ALA A 51 4.983 5.505 -5.533 1.00 0.25 H new ATOM 0 HB2 ALA A 51 4.374 3.840 -5.683 1.00 0.25 H new ATOM 0 HB3 ALA A 51 3.231 5.193 -5.506 1.00 0.25 H new ATOM 673 N ILE A 52 2.896 6.476 -2.857 1.00 0.24 N ATOM 674 CA ILE A 52 2.671 7.770 -2.228 1.00 0.28 C ATOM 675 C ILE A 52 2.468 7.620 -0.727 1.00 0.26 C ATOM 676 O ILE A 52 2.957 8.434 0.058 1.00 0.31 O ATOM 677 CB ILE A 52 1.438 8.461 -2.850 1.00 0.31 C ATOM 678 CG1 ILE A 52 1.810 9.082 -4.196 1.00 0.36 C ATOM 679 CG2 ILE A 52 0.848 9.517 -1.922 1.00 0.35 C ATOM 680 CD1 ILE A 52 1.298 8.295 -5.380 1.00 0.37 C ATOM 0 H ILE A 52 2.049 5.986 -3.145 1.00 0.24 H new ATOM 0 HA ILE A 52 3.555 8.384 -2.400 1.00 0.28 H new ATOM 0 HB ILE A 52 0.673 7.700 -3.003 1.00 0.31 H new ATOM 0 HG12 ILE A 52 1.412 10.096 -4.243 1.00 0.36 H new ATOM 0 HG13 ILE A 52 2.895 9.162 -4.264 1.00 0.36 H new ATOM 0 HG21 ILE A 52 -0.017 9.978 -2.399 1.00 0.35 H new ATOM 0 HG22 ILE A 52 0.540 9.049 -0.987 1.00 0.35 H new ATOM 0 HG23 ILE A 52 1.598 10.280 -1.716 1.00 0.35 H new ATOM 0 HD11 ILE A 52 1.597 8.791 -6.303 1.00 0.37 H new ATOM 0 HD12 ILE A 52 1.716 7.289 -5.356 1.00 0.37 H new ATOM 0 HD13 ILE A 52 0.210 8.237 -5.335 1.00 0.37 H new ATOM 692 N LEU A 53 1.746 6.566 -0.349 1.00 0.21 N ATOM 693 CA LEU A 53 1.444 6.271 1.051 1.00 0.21 C ATOM 694 C LEU A 53 0.680 7.429 1.689 1.00 0.23 C ATOM 695 O LEU A 53 1.227 8.195 2.487 1.00 0.27 O ATOM 696 CB LEU A 53 2.725 5.960 1.827 1.00 0.24 C ATOM 697 CG LEU A 53 3.093 4.482 1.881 1.00 0.26 C ATOM 698 CD1 LEU A 53 4.558 4.302 2.237 1.00 0.41 C ATOM 699 CD2 LEU A 53 2.208 3.761 2.877 1.00 0.35 C ATOM 0 H LEU A 53 1.353 5.892 -1.006 1.00 0.21 H new ATOM 0 HA LEU A 53 0.808 5.386 1.089 1.00 0.21 H new ATOM 0 HB2 LEU A 53 3.550 6.510 1.375 1.00 0.24 H new ATOM 0 HB3 LEU A 53 2.616 6.331 2.846 1.00 0.24 H new ATOM 0 HG LEU A 53 2.932 4.049 0.894 1.00 0.26 H new ATOM 0 HD11 LEU A 53 4.797 3.239 2.269 1.00 0.41 H new ATOM 0 HD12 LEU A 53 5.178 4.790 1.485 1.00 0.41 H new ATOM 0 HD13 LEU A 53 4.753 4.747 3.213 1.00 0.41 H new ATOM 0 HD21 LEU A 53 2.479 2.706 2.908 1.00 0.35 H new ATOM 0 HD22 LEU A 53 2.342 4.199 3.866 1.00 0.35 H new ATOM 0 HD23 LEU A 53 1.165 3.859 2.575 1.00 0.35 H new ATOM 711 N PRO A 54 -0.610 7.571 1.331 1.00 0.24 N ATOM 712 CA PRO A 54 -1.462 8.628 1.844 1.00 0.30 C ATOM 713 C PRO A 54 -2.154 8.227 3.137 1.00 0.40 C ATOM 714 O PRO A 54 -3.040 7.368 3.145 1.00 0.48 O ATOM 715 CB PRO A 54 -2.484 8.836 0.724 1.00 0.36 C ATOM 716 CG PRO A 54 -2.393 7.631 -0.170 1.00 0.25 C ATOM 717 CD PRO A 54 -1.342 6.712 0.400 1.00 0.23 C ATOM 0 HA PRO A 54 -0.899 9.528 2.091 1.00 0.30 H new ATOM 0 HB2 PRO A 54 -3.489 8.941 1.132 1.00 0.36 H new ATOM 0 HB3 PRO A 54 -2.269 9.748 0.168 1.00 0.36 H new ATOM 0 HG2 PRO A 54 -3.356 7.123 -0.225 1.00 0.25 H new ATOM 0 HG3 PRO A 54 -2.131 7.928 -1.186 1.00 0.25 H new ATOM 0 HD2 PRO A 54 -1.788 5.857 0.908 1.00 0.23 H new ATOM 0 HD3 PRO A 54 -0.690 6.315 -0.378 1.00 0.23 H new ATOM 725 N MET A 55 -1.745 8.846 4.230 1.00 0.49 N ATOM 726 CA MET A 55 -2.320 8.555 5.534 1.00 0.64 C ATOM 727 C MET A 55 -3.620 9.324 5.734 1.00 0.72 C ATOM 728 O MET A 55 -4.641 8.759 6.125 1.00 1.02 O ATOM 729 CB MET A 55 -1.328 8.926 6.638 1.00 0.80 C ATOM 730 CG MET A 55 -0.954 7.771 7.547 1.00 1.07 C ATOM 731 SD MET A 55 -1.690 7.918 9.189 1.00 1.66 S ATOM 732 CE MET A 55 -3.163 6.924 8.976 1.00 1.52 C ATOM 0 H MET A 55 -1.014 9.557 4.242 1.00 0.49 H new ATOM 0 HA MET A 55 -2.535 7.487 5.583 1.00 0.64 H new ATOM 0 HB2 MET A 55 -0.422 9.322 6.180 1.00 0.80 H new ATOM 0 HB3 MET A 55 -1.755 9.726 7.242 1.00 0.80 H new ATOM 0 HG2 MET A 55 -1.275 6.835 7.091 1.00 1.07 H new ATOM 0 HG3 MET A 55 0.131 7.724 7.641 1.00 1.07 H new ATOM 0 HE1 MET A 55 -3.518 6.587 9.950 1.00 1.52 H new ATOM 0 HE2 MET A 55 -3.938 7.520 8.494 1.00 1.52 H new ATOM 0 HE3 MET A 55 -2.931 6.059 8.355 1.00 1.52 H new ATOM 742 N ASN A 56 -3.569 10.617 5.464 1.00 0.66 N ATOM 743 CA ASN A 56 -4.727 11.480 5.615 1.00 0.84 C ATOM 744 C ASN A 56 -5.644 11.374 4.388 1.00 0.69 C ATOM 745 O ASN A 56 -5.180 11.124 3.279 1.00 0.59 O ATOM 746 CB ASN A 56 -4.249 12.920 5.872 1.00 1.13 C ATOM 747 CG ASN A 56 -4.948 13.968 5.039 1.00 1.94 C ATOM 748 OD1 ASN A 56 -4.478 14.336 3.967 1.00 2.68 O ATOM 749 ND2 ASN A 56 -6.075 14.455 5.534 1.00 2.34 N ATOM 0 H ASN A 56 -2.730 11.095 5.136 1.00 0.66 H new ATOM 0 HA ASN A 56 -5.322 11.163 6.472 1.00 0.84 H new ATOM 0 HB2 ASN A 56 -4.394 13.155 6.926 1.00 1.13 H new ATOM 0 HB3 ASN A 56 -3.178 12.974 5.678 1.00 1.13 H new ATOM 0 HD21 ASN A 56 -6.592 15.168 5.019 1.00 2.34 H new ATOM 0 HD22 ASN A 56 -6.426 14.117 6.430 1.00 2.34 H new ATOM 756 N ASP A 57 -6.950 11.527 4.612 1.00 0.76 N ATOM 757 CA ASP A 57 -7.951 11.409 3.543 1.00 0.76 C ATOM 758 C ASP A 57 -7.806 12.495 2.473 1.00 0.73 C ATOM 759 O ASP A 57 -8.155 12.270 1.314 1.00 1.11 O ATOM 760 CB ASP A 57 -9.365 11.449 4.118 1.00 0.96 C ATOM 761 CG ASP A 57 -9.598 10.417 5.208 1.00 1.69 C ATOM 762 OD1 ASP A 57 -9.232 9.233 5.014 1.00 1.77 O ATOM 763 OD2 ASP A 57 -10.147 10.781 6.272 1.00 2.68 O ATOM 0 H ASP A 57 -7.344 11.734 5.530 1.00 0.76 H new ATOM 0 HA ASP A 57 -7.774 10.446 3.064 1.00 0.76 H new ATOM 0 HB2 ASP A 57 -9.558 12.443 4.521 1.00 0.96 H new ATOM 0 HB3 ASP A 57 -10.082 11.286 3.313 1.00 0.96 H new ATOM 768 N SER A 58 -7.299 13.668 2.839 1.00 0.67 N ATOM 769 CA SER A 58 -7.125 14.756 1.874 1.00 0.72 C ATOM 770 C SER A 58 -6.011 14.423 0.877 1.00 0.66 C ATOM 771 O SER A 58 -6.101 14.755 -0.310 1.00 0.77 O ATOM 772 CB SER A 58 -6.837 16.062 2.607 1.00 0.87 C ATOM 773 OG SER A 58 -7.490 16.082 3.870 1.00 1.02 O ATOM 0 H SER A 58 -7.002 13.892 3.789 1.00 0.67 H new ATOM 0 HA SER A 58 -8.049 14.876 1.308 1.00 0.72 H new ATOM 0 HB2 SER A 58 -5.762 16.178 2.746 1.00 0.87 H new ATOM 0 HB3 SER A 58 -7.174 16.905 2.004 1.00 0.87 H new ATOM 0 HG SER A 58 -7.134 16.818 4.410 1.00 1.02 H new ATOM 779 N ALA A 59 -4.976 13.734 1.363 1.00 0.58 N ATOM 780 CA ALA A 59 -3.848 13.306 0.535 1.00 0.59 C ATOM 781 C ALA A 59 -4.313 12.266 -0.473 1.00 0.51 C ATOM 782 O ALA A 59 -3.710 12.076 -1.523 1.00 0.59 O ATOM 783 CB ALA A 59 -2.724 12.744 1.396 1.00 0.62 C ATOM 0 H ALA A 59 -4.897 13.457 2.342 1.00 0.58 H new ATOM 0 HA ALA A 59 -3.461 14.174 0.000 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -1.897 12.433 0.757 1.00 0.62 H new ATOM 0 HB2 ALA A 59 -2.378 13.511 2.089 1.00 0.62 H new ATOM 0 HB3 ALA A 59 -3.091 11.885 1.958 1.00 0.62 H new ATOM 789 N PHE A 60 -5.395 11.588 -0.124 1.00 0.40 N ATOM 790 CA PHE A 60 -5.979 10.559 -0.971 1.00 0.37 C ATOM 791 C PHE A 60 -6.407 11.121 -2.337 1.00 0.42 C ATOM 792 O PHE A 60 -6.551 10.374 -3.309 1.00 0.46 O ATOM 793 CB PHE A 60 -7.174 9.914 -0.264 1.00 0.33 C ATOM 794 CG PHE A 60 -6.807 8.668 0.466 1.00 0.26 C ATOM 795 CD1 PHE A 60 -5.966 7.746 -0.120 1.00 0.23 C ATOM 796 CD2 PHE A 60 -7.303 8.409 1.733 1.00 0.37 C ATOM 797 CE1 PHE A 60 -5.620 6.587 0.537 1.00 0.22 C ATOM 798 CE2 PHE A 60 -6.963 7.246 2.395 1.00 0.37 C ATOM 799 CZ PHE A 60 -6.117 6.334 1.792 1.00 0.24 C ATOM 0 H PHE A 60 -5.893 11.735 0.754 1.00 0.40 H new ATOM 0 HA PHE A 60 -5.215 9.803 -1.152 1.00 0.37 H new ATOM 0 HB2 PHE A 60 -7.604 10.628 0.438 1.00 0.33 H new ATOM 0 HB3 PHE A 60 -7.946 9.686 -0.999 1.00 0.33 H new ATOM 0 HD1 PHE A 60 -5.573 7.936 -1.108 1.00 0.23 H new ATOM 0 HD2 PHE A 60 -7.961 9.122 2.207 1.00 0.37 H new ATOM 0 HE1 PHE A 60 -4.957 5.876 0.065 1.00 0.22 H new ATOM 0 HE2 PHE A 60 -7.357 7.049 3.381 1.00 0.37 H new ATOM 0 HZ PHE A 60 -5.847 5.424 2.307 1.00 0.24 H new ATOM 809 N ALA A 61 -6.629 12.433 -2.403 1.00 0.47 N ATOM 810 CA ALA A 61 -7.050 13.084 -3.643 1.00 0.56 C ATOM 811 C ALA A 61 -6.005 12.947 -4.757 1.00 0.58 C ATOM 812 O ALA A 61 -6.356 12.954 -5.939 1.00 0.64 O ATOM 813 CB ALA A 61 -7.348 14.555 -3.392 1.00 0.67 C ATOM 0 H ALA A 61 -6.524 13.067 -1.611 1.00 0.47 H new ATOM 0 HA ALA A 61 -7.955 12.578 -3.978 1.00 0.56 H new ATOM 0 HB1 ALA A 61 -7.660 15.027 -4.324 1.00 0.67 H new ATOM 0 HB2 ALA A 61 -8.146 14.644 -2.655 1.00 0.67 H new ATOM 0 HB3 ALA A 61 -6.451 15.049 -3.018 1.00 0.67 H new ATOM 819 N THR A 62 -4.729 12.805 -4.382 1.00 0.57 N ATOM 820 CA THR A 62 -3.652 12.659 -5.360 1.00 0.64 C ATOM 821 C THR A 62 -3.538 11.219 -5.859 1.00 0.53 C ATOM 822 O THR A 62 -2.828 10.941 -6.829 1.00 0.57 O ATOM 823 CB THR A 62 -2.303 13.134 -4.814 1.00 0.78 C ATOM 824 OG1 THR A 62 -2.374 13.332 -3.399 1.00 1.03 O ATOM 825 CG2 THR A 62 -1.882 14.424 -5.489 1.00 1.13 C ATOM 0 H THR A 62 -4.420 12.788 -3.410 1.00 0.57 H new ATOM 0 HA THR A 62 -3.916 13.300 -6.202 1.00 0.64 H new ATOM 0 HB THR A 62 -1.562 12.363 -5.026 1.00 0.78 H new ATOM 0 HG1 THR A 62 -2.673 12.505 -2.968 1.00 1.03 H new ATOM 0 HG21 THR A 62 -0.921 14.747 -5.089 1.00 1.13 H new ATOM 0 HG22 THR A 62 -1.791 14.260 -6.563 1.00 1.13 H new ATOM 0 HG23 THR A 62 -2.631 15.194 -5.302 1.00 1.13 H new ATOM 833 N LEU A 63 -4.288 10.310 -5.232 1.00 0.44 N ATOM 834 CA LEU A 63 -4.311 8.910 -5.649 1.00 0.40 C ATOM 835 C LEU A 63 -5.117 8.806 -6.938 1.00 0.48 C ATOM 836 O LEU A 63 -5.001 7.843 -7.692 1.00 0.68 O ATOM 837 CB LEU A 63 -4.967 8.024 -4.574 1.00 0.34 C ATOM 838 CG LEU A 63 -4.040 7.461 -3.494 1.00 0.27 C ATOM 839 CD1 LEU A 63 -4.642 6.206 -2.887 1.00 0.28 C ATOM 840 CD2 LEU A 63 -2.658 7.160 -4.045 1.00 0.27 C ATOM 0 H LEU A 63 -4.887 10.520 -4.434 1.00 0.44 H new ATOM 0 HA LEU A 63 -3.287 8.567 -5.799 1.00 0.40 H new ATOM 0 HB2 LEU A 63 -5.749 8.604 -4.084 1.00 0.34 H new ATOM 0 HB3 LEU A 63 -5.457 7.188 -5.073 1.00 0.34 H new ATOM 0 HG LEU A 63 -3.934 8.221 -2.720 1.00 0.27 H new ATOM 0 HD11 LEU A 63 -3.973 5.816 -2.120 1.00 0.28 H new ATOM 0 HD12 LEU A 63 -5.607 6.445 -2.439 1.00 0.28 H new ATOM 0 HD13 LEU A 63 -4.779 5.455 -3.665 1.00 0.28 H new ATOM 0 HD21 LEU A 63 -2.028 6.762 -3.250 1.00 0.27 H new ATOM 0 HD22 LEU A 63 -2.738 6.426 -4.846 1.00 0.27 H new ATOM 0 HD23 LEU A 63 -2.214 8.076 -4.435 1.00 0.27 H new ATOM 852 N GLY A 64 -5.948 9.813 -7.170 1.00 0.63 N ATOM 853 CA GLY A 64 -6.790 9.847 -8.345 1.00 0.76 C ATOM 854 C GLY A 64 -8.230 10.033 -7.945 1.00 0.91 C ATOM 855 O GLY A 64 -8.555 10.944 -7.183 1.00 1.61 O ATOM 0 H GLY A 64 -6.053 10.618 -6.553 1.00 0.63 H new ATOM 0 HA2 GLY A 64 -6.479 10.660 -9.001 1.00 0.76 H new ATOM 0 HA3 GLY A 64 -6.678 8.921 -8.909 1.00 0.76 H new ATOM 859 N THR A 65 -9.092 9.173 -8.434 1.00 1.22 N ATOM 860 CA THR A 65 -10.496 9.257 -8.105 1.00 1.52 C ATOM 861 C THR A 65 -10.989 7.982 -7.422 1.00 1.28 C ATOM 862 O THR A 65 -11.700 7.183 -8.033 1.00 1.56 O ATOM 863 CB THR A 65 -11.323 9.515 -9.363 1.00 2.09 C ATOM 864 OG1 THR A 65 -10.452 9.801 -10.475 1.00 2.14 O ATOM 865 CG2 THR A 65 -12.297 10.667 -9.163 1.00 2.55 C ATOM 0 H THR A 65 -8.846 8.407 -9.061 1.00 1.22 H new ATOM 0 HA THR A 65 -10.620 10.088 -7.411 1.00 1.52 H new ATOM 0 HB THR A 65 -11.901 8.615 -9.573 1.00 2.09 H new ATOM 0 HG1 THR A 65 -10.990 9.964 -11.278 1.00 2.14 H new ATOM 0 HG21 THR A 65 -12.869 10.823 -10.078 1.00 2.55 H new ATOM 0 HG22 THR A 65 -12.978 10.430 -8.345 1.00 2.55 H new ATOM 0 HG23 THR A 65 -11.743 11.574 -8.922 1.00 2.55 H new ATOM 873 N VAL A 66 -10.625 7.788 -6.155 1.00 0.89 N ATOM 874 CA VAL A 66 -11.068 6.602 -5.434 1.00 0.69 C ATOM 875 C VAL A 66 -12.556 6.723 -5.122 1.00 0.68 C ATOM 876 O VAL A 66 -13.019 7.763 -4.651 1.00 0.72 O ATOM 877 CB VAL A 66 -10.264 6.355 -4.132 1.00 0.50 C ATOM 878 CG1 VAL A 66 -8.827 5.993 -4.459 1.00 0.58 C ATOM 879 CG2 VAL A 66 -10.296 7.562 -3.208 1.00 0.58 C ATOM 0 H VAL A 66 -10.036 8.424 -5.618 1.00 0.89 H new ATOM 0 HA VAL A 66 -10.889 5.741 -6.078 1.00 0.69 H new ATOM 0 HB VAL A 66 -10.738 5.523 -3.611 1.00 0.50 H new ATOM 0 HG11 VAL A 66 -8.275 5.823 -3.534 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -8.809 5.087 -5.065 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -8.363 6.809 -5.013 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -9.721 7.346 -2.308 1.00 0.58 H new ATOM 0 HG22 VAL A 66 -9.863 8.422 -3.718 1.00 0.58 H new ATOM 0 HG23 VAL A 66 -11.328 7.784 -2.935 1.00 0.58 H new ATOM 889 N GLU A 67 -13.311 5.681 -5.420 1.00 0.72 N ATOM 890 CA GLU A 67 -14.745 5.695 -5.195 1.00 0.79 C ATOM 891 C GLU A 67 -15.082 5.706 -3.706 1.00 0.63 C ATOM 892 O GLU A 67 -14.223 5.458 -2.856 1.00 0.49 O ATOM 893 CB GLU A 67 -15.373 4.476 -5.850 1.00 0.94 C ATOM 894 CG GLU A 67 -15.847 4.714 -7.263 1.00 1.19 C ATOM 895 CD GLU A 67 -15.455 3.583 -8.182 1.00 1.70 C ATOM 896 OE1 GLU A 67 -16.166 2.556 -8.201 1.00 2.42 O ATOM 897 OE2 GLU A 67 -14.435 3.713 -8.882 1.00 2.16 O ATOM 0 H GLU A 67 -12.954 4.813 -5.819 1.00 0.72 H new ATOM 0 HA GLU A 67 -15.146 6.607 -5.636 1.00 0.79 H new ATOM 0 HB2 GLU A 67 -14.646 3.663 -5.853 1.00 0.94 H new ATOM 0 HB3 GLU A 67 -16.218 4.146 -5.245 1.00 0.94 H new ATOM 0 HG2 GLU A 67 -16.931 4.828 -7.269 1.00 1.19 H new ATOM 0 HG3 GLU A 67 -15.426 5.648 -7.635 1.00 1.19 H new ATOM 904 N ASP A 68 -16.348 5.967 -3.401 1.00 0.71 N ATOM 905 CA ASP A 68 -16.821 5.988 -2.021 1.00 0.67 C ATOM 906 C ASP A 68 -16.694 4.592 -1.429 1.00 0.54 C ATOM 907 O ASP A 68 -16.352 4.418 -0.265 1.00 0.55 O ATOM 908 CB ASP A 68 -18.279 6.468 -1.964 1.00 0.85 C ATOM 909 CG ASP A 68 -19.017 6.011 -0.717 1.00 1.26 C ATOM 910 OD1 ASP A 68 -18.594 6.389 0.399 1.00 1.72 O ATOM 911 OD2 ASP A 68 -20.014 5.265 -0.842 1.00 1.61 O ATOM 0 H ASP A 68 -17.069 6.168 -4.094 1.00 0.71 H new ATOM 0 HA ASP A 68 -16.214 6.682 -1.439 1.00 0.67 H new ATOM 0 HB2 ASP A 68 -18.297 7.557 -2.009 1.00 0.85 H new ATOM 0 HB3 ASP A 68 -18.808 6.104 -2.844 1.00 0.85 H new ATOM 916 N LYS A 69 -16.940 3.591 -2.262 1.00 0.55 N ATOM 917 CA LYS A 69 -16.832 2.207 -1.836 1.00 0.58 C ATOM 918 C LYS A 69 -15.381 1.864 -1.511 1.00 0.51 C ATOM 919 O LYS A 69 -15.103 1.004 -0.675 1.00 0.60 O ATOM 920 CB LYS A 69 -17.372 1.263 -2.915 1.00 0.71 C ATOM 921 CG LYS A 69 -16.785 1.500 -4.300 1.00 0.82 C ATOM 922 CD LYS A 69 -17.668 0.920 -5.388 1.00 1.15 C ATOM 923 CE LYS A 69 -16.935 -0.144 -6.190 1.00 1.53 C ATOM 924 NZ LYS A 69 -16.990 0.133 -7.649 1.00 1.97 N ATOM 0 H LYS A 69 -17.216 3.713 -3.236 1.00 0.55 H new ATOM 0 HA LYS A 69 -17.433 2.078 -0.936 1.00 0.58 H new ATOM 0 HB2 LYS A 69 -17.169 0.234 -2.617 1.00 0.71 H new ATOM 0 HB3 LYS A 69 -18.455 1.371 -2.968 1.00 0.71 H new ATOM 0 HG2 LYS A 69 -16.660 2.570 -4.464 1.00 0.82 H new ATOM 0 HG3 LYS A 69 -15.794 1.051 -4.357 1.00 0.82 H new ATOM 0 HD2 LYS A 69 -18.563 0.488 -4.940 1.00 1.15 H new ATOM 0 HD3 LYS A 69 -17.998 1.717 -6.054 1.00 1.15 H new ATOM 0 HE2 LYS A 69 -15.895 -0.191 -5.867 1.00 1.53 H new ATOM 0 HE3 LYS A 69 -17.376 -1.120 -5.988 1.00 1.53 H new ATOM 0 HZ1 LYS A 69 -16.664 -0.704 -8.174 1.00 1.97 H new ATOM 0 HZ2 LYS A 69 -17.968 0.354 -7.924 1.00 1.97 H new ATOM 0 HZ3 LYS A 69 -16.376 0.943 -7.872 1.00 1.97 H new ATOM 938 N TYR A 70 -14.460 2.571 -2.161 1.00 0.43 N ATOM 939 CA TYR A 70 -13.038 2.369 -1.935 1.00 0.39 C ATOM 940 C TYR A 70 -12.622 3.062 -0.648 1.00 0.33 C ATOM 941 O TYR A 70 -11.859 2.512 0.138 1.00 0.34 O ATOM 942 CB TYR A 70 -12.212 2.937 -3.098 1.00 0.47 C ATOM 943 CG TYR A 70 -12.183 2.087 -4.336 1.00 0.60 C ATOM 944 CD1 TYR A 70 -13.350 1.820 -5.029 1.00 1.05 C ATOM 945 CD2 TYR A 70 -11.004 1.533 -4.797 1.00 1.18 C ATOM 946 CE1 TYR A 70 -13.344 1.027 -6.155 1.00 1.16 C ATOM 947 CE2 TYR A 70 -10.984 0.736 -5.923 1.00 1.29 C ATOM 948 CZ TYR A 70 -12.101 0.547 -6.642 1.00 0.94 C ATOM 949 OH TYR A 70 -12.145 -0.305 -7.723 1.00 1.11 O ATOM 0 H TYR A 70 -14.678 3.291 -2.850 1.00 0.43 H new ATOM 0 HA TYR A 70 -12.853 1.297 -1.862 1.00 0.39 H new ATOM 0 HB2 TYR A 70 -12.609 3.918 -3.359 1.00 0.47 H new ATOM 0 HB3 TYR A 70 -11.188 3.088 -2.756 1.00 0.47 H new ATOM 0 HD1 TYR A 70 -14.282 2.241 -4.681 1.00 1.05 H new ATOM 0 HD2 TYR A 70 -10.083 1.727 -4.267 1.00 1.18 H new ATOM 0 HE1 TYR A 70 -14.267 0.776 -6.657 1.00 1.16 H new ATOM 0 HE2 TYR A 70 -10.063 0.261 -6.228 1.00 1.29 H new ATOM 0 HH TYR A 70 -11.330 -0.198 -8.257 1.00 1.11 H new ATOM 959 N ARG A 71 -13.153 4.261 -0.438 1.00 0.37 N ATOM 960 CA ARG A 71 -12.860 5.053 0.756 1.00 0.46 C ATOM 961 C ARG A 71 -13.348 4.334 2.013 1.00 0.52 C ATOM 962 O ARG A 71 -12.718 4.412 3.069 1.00 0.59 O ATOM 963 CB ARG A 71 -13.539 6.420 0.653 1.00 0.60 C ATOM 964 CG ARG A 71 -12.576 7.567 0.418 1.00 0.81 C ATOM 965 CD ARG A 71 -12.323 8.339 1.701 1.00 0.97 C ATOM 966 NE ARG A 71 -13.525 9.006 2.201 1.00 1.39 N ATOM 967 CZ ARG A 71 -14.108 8.703 3.360 1.00 1.96 C ATOM 968 NH1 ARG A 71 -13.575 7.763 4.139 1.00 2.55 N ATOM 969 NH2 ARG A 71 -15.218 9.338 3.740 1.00 2.53 N ATOM 0 H ARG A 71 -13.797 4.713 -1.087 1.00 0.37 H new ATOM 0 HA ARG A 71 -11.780 5.186 0.825 1.00 0.46 H new ATOM 0 HB2 ARG A 71 -14.264 6.394 -0.161 1.00 0.60 H new ATOM 0 HB3 ARG A 71 -14.096 6.608 1.571 1.00 0.60 H new ATOM 0 HG2 ARG A 71 -11.633 7.181 0.030 1.00 0.81 H new ATOM 0 HG3 ARG A 71 -12.982 8.237 -0.340 1.00 0.81 H new ATOM 0 HD2 ARG A 71 -11.947 7.657 2.463 1.00 0.97 H new ATOM 0 HD3 ARG A 71 -11.545 9.082 1.526 1.00 0.97 H new ATOM 0 HE ARG A 71 -13.940 9.743 1.631 1.00 1.39 H new ATOM 0 HH11 ARG A 71 -12.725 7.280 3.847 1.00 2.55 H new ATOM 0 HH12 ARG A 71 -14.016 7.526 5.028 1.00 2.55 H new ATOM 0 HH21 ARG A 71 -15.623 10.058 3.142 1.00 2.53 H new ATOM 0 HH22 ARG A 71 -15.661 9.103 4.628 1.00 2.53 H new ATOM 983 N ARG A 72 -14.476 3.648 1.886 1.00 0.57 N ATOM 984 CA ARG A 72 -15.070 2.914 2.997 1.00 0.72 C ATOM 985 C ARG A 72 -14.095 1.901 3.579 1.00 0.68 C ATOM 986 O ARG A 72 -13.517 2.118 4.639 1.00 0.82 O ATOM 987 CB ARG A 72 -16.289 2.152 2.521 1.00 0.87 C ATOM 988 CG ARG A 72 -17.561 2.969 2.420 1.00 1.22 C ATOM 989 CD ARG A 72 -18.661 2.102 1.875 1.00 1.78 C ATOM 990 NE ARG A 72 -19.452 2.777 0.853 1.00 2.63 N ATOM 991 CZ ARG A 72 -20.402 2.179 0.140 1.00 3.47 C ATOM 992 NH1 ARG A 72 -20.672 0.895 0.340 1.00 3.77 N ATOM 993 NH2 ARG A 72 -21.065 2.862 -0.784 1.00 4.38 N ATOM 0 H ARG A 72 -15.003 3.584 1.015 1.00 0.57 H new ATOM 0 HA ARG A 72 -15.337 3.645 3.760 1.00 0.72 H new ATOM 0 HB2 ARG A 72 -16.072 1.725 1.542 1.00 0.87 H new ATOM 0 HB3 ARG A 72 -16.465 1.318 3.200 1.00 0.87 H new ATOM 0 HG2 ARG A 72 -17.838 3.356 3.401 1.00 1.22 H new ATOM 0 HG3 ARG A 72 -17.404 3.830 1.770 1.00 1.22 H new ATOM 0 HD2 ARG A 72 -18.229 1.194 1.454 1.00 1.78 H new ATOM 0 HD3 ARG A 72 -19.315 1.795 2.691 1.00 1.78 H new ATOM 0 HE ARG A 72 -19.266 3.764 0.675 1.00 2.63 H new ATOM 0 HH11 ARG A 72 -20.151 0.367 1.040 1.00 3.77 H new ATOM 0 HH12 ARG A 72 -21.401 0.436 -0.207 1.00 3.77 H new ATOM 0 HH21 ARG A 72 -20.846 3.845 -0.947 1.00 4.38 H new ATOM 0 HH22 ARG A 72 -21.794 2.404 -1.331 1.00 4.38 H new ATOM 1007 N ARG A 73 -13.931 0.783 2.864 1.00 0.63 N ATOM 1008 CA ARG A 73 -13.041 -0.297 3.291 1.00 0.70 C ATOM 1009 C ARG A 73 -11.580 0.153 3.306 1.00 0.53 C ATOM 1010 O ARG A 73 -10.708 -0.576 3.779 1.00 0.59 O ATOM 1011 CB ARG A 73 -13.222 -1.544 2.403 1.00 0.88 C ATOM 1012 CG ARG A 73 -12.213 -1.665 1.271 1.00 0.59 C ATOM 1013 CD ARG A 73 -12.609 -0.808 0.093 1.00 0.71 C ATOM 1014 NE ARG A 73 -12.165 -1.385 -1.170 1.00 1.08 N ATOM 1015 CZ ARG A 73 -12.987 -1.710 -2.167 1.00 0.92 C ATOM 1016 NH1 ARG A 73 -14.290 -1.427 -2.096 1.00 1.42 N ATOM 1017 NH2 ARG A 73 -12.497 -2.300 -3.246 1.00 1.44 N ATOM 0 H ARG A 73 -14.408 0.604 1.980 1.00 0.63 H new ATOM 0 HA ARG A 73 -13.315 -0.563 4.312 1.00 0.70 H new ATOM 0 HB2 ARG A 73 -13.154 -2.433 3.030 1.00 0.88 H new ATOM 0 HB3 ARG A 73 -14.226 -1.529 1.978 1.00 0.88 H new ATOM 0 HG2 ARG A 73 -11.227 -1.366 1.626 1.00 0.59 H new ATOM 0 HG3 ARG A 73 -12.137 -2.706 0.958 1.00 0.59 H new ATOM 0 HD2 ARG A 73 -13.692 -0.690 0.078 1.00 0.71 H new ATOM 0 HD3 ARG A 73 -12.181 0.188 0.208 1.00 0.71 H new ATOM 0 HE ARG A 73 -11.167 -1.550 -1.298 1.00 1.08 H new ATOM 0 HH11 ARG A 73 -14.666 -0.957 -1.272 1.00 1.42 H new ATOM 0 HH12 ARG A 73 -14.910 -1.681 -2.865 1.00 1.42 H new ATOM 0 HH21 ARG A 73 -11.499 -2.502 -3.308 1.00 1.44 H new ATOM 0 HH22 ARG A 73 -13.117 -2.553 -4.015 1.00 1.44 H new ATOM 1031 N PHE A 74 -11.331 1.371 2.824 1.00 0.36 N ATOM 1032 CA PHE A 74 -9.977 1.941 2.824 1.00 0.26 C ATOM 1033 C PHE A 74 -9.428 1.933 4.248 1.00 0.22 C ATOM 1034 O PHE A 74 -8.228 1.772 4.469 1.00 0.30 O ATOM 1035 CB PHE A 74 -9.985 3.376 2.281 1.00 0.27 C ATOM 1036 CG PHE A 74 -8.980 3.636 1.193 1.00 0.25 C ATOM 1037 CD1 PHE A 74 -7.743 3.011 1.206 1.00 0.28 C ATOM 1038 CD2 PHE A 74 -9.275 4.509 0.157 1.00 0.29 C ATOM 1039 CE1 PHE A 74 -6.823 3.257 0.211 1.00 0.31 C ATOM 1040 CE2 PHE A 74 -8.353 4.758 -0.836 1.00 0.32 C ATOM 1041 CZ PHE A 74 -7.128 4.127 -0.810 1.00 0.30 C ATOM 0 H PHE A 74 -12.045 1.983 2.429 1.00 0.36 H new ATOM 0 HA PHE A 74 -9.343 1.335 2.177 1.00 0.26 H new ATOM 0 HB2 PHE A 74 -10.981 3.601 1.900 1.00 0.27 H new ATOM 0 HB3 PHE A 74 -9.796 4.064 3.105 1.00 0.27 H new ATOM 0 HD1 PHE A 74 -7.498 2.325 2.003 1.00 0.28 H new ATOM 0 HD2 PHE A 74 -10.237 4.999 0.128 1.00 0.29 H new ATOM 0 HE1 PHE A 74 -5.861 2.766 0.232 1.00 0.31 H new ATOM 0 HE2 PHE A 74 -8.590 5.447 -1.634 1.00 0.32 H new ATOM 0 HZ PHE A 74 -6.407 4.316 -1.592 1.00 0.30 H new ATOM 1051 N LYS A 75 -10.336 2.116 5.207 1.00 0.23 N ATOM 1052 CA LYS A 75 -9.999 2.133 6.627 1.00 0.30 C ATOM 1053 C LYS A 75 -9.324 0.832 7.070 1.00 0.28 C ATOM 1054 O LYS A 75 -8.576 0.819 8.046 1.00 0.37 O ATOM 1055 CB LYS A 75 -11.266 2.365 7.463 1.00 0.41 C ATOM 1056 CG LYS A 75 -12.352 1.310 7.250 1.00 0.37 C ATOM 1057 CD LYS A 75 -12.511 0.421 8.474 1.00 0.82 C ATOM 1058 CE LYS A 75 -13.915 -0.140 8.572 1.00 1.28 C ATOM 1059 NZ LYS A 75 -14.422 -0.126 9.968 1.00 1.72 N ATOM 0 H LYS A 75 -11.328 2.257 5.018 1.00 0.23 H new ATOM 0 HA LYS A 75 -9.293 2.948 6.787 1.00 0.30 H new ATOM 0 HB2 LYS A 75 -10.994 2.384 8.518 1.00 0.41 H new ATOM 0 HB3 LYS A 75 -11.674 3.346 7.221 1.00 0.41 H new ATOM 0 HG2 LYS A 75 -13.300 1.801 7.030 1.00 0.37 H new ATOM 0 HG3 LYS A 75 -12.101 0.698 6.384 1.00 0.37 H new ATOM 0 HD2 LYS A 75 -11.793 -0.398 8.426 1.00 0.82 H new ATOM 0 HD3 LYS A 75 -12.283 0.993 9.373 1.00 0.82 H new ATOM 0 HE2 LYS A 75 -14.583 0.442 7.937 1.00 1.28 H new ATOM 0 HE3 LYS A 75 -13.925 -1.162 8.193 1.00 1.28 H new ATOM 0 HZ1 LYS A 75 -15.385 -0.518 9.992 1.00 1.72 H new ATOM 0 HZ2 LYS A 75 -13.799 -0.702 10.569 1.00 1.72 H new ATOM 0 HZ3 LYS A 75 -14.437 0.852 10.322 1.00 1.72 H new ATOM 1073 N TYR A 76 -9.574 -0.264 6.355 1.00 0.21 N ATOM 1074 CA TYR A 76 -8.968 -1.547 6.706 1.00 0.22 C ATOM 1075 C TYR A 76 -7.486 -1.554 6.344 1.00 0.20 C ATOM 1076 O TYR A 76 -6.729 -2.416 6.789 1.00 0.23 O ATOM 1077 CB TYR A 76 -9.693 -2.683 5.987 1.00 0.24 C ATOM 1078 CG TYR A 76 -11.016 -3.042 6.614 1.00 0.40 C ATOM 1079 CD1 TYR A 76 -11.075 -3.643 7.865 1.00 0.74 C ATOM 1080 CD2 TYR A 76 -12.208 -2.790 5.951 1.00 0.44 C ATOM 1081 CE1 TYR A 76 -12.285 -3.974 8.440 1.00 0.92 C ATOM 1082 CE2 TYR A 76 -13.422 -3.119 6.515 1.00 0.61 C ATOM 1083 CZ TYR A 76 -13.457 -3.715 7.758 1.00 0.79 C ATOM 1084 OH TYR A 76 -14.664 -4.051 8.328 1.00 0.99 O ATOM 0 H TYR A 76 -10.185 -0.290 5.538 1.00 0.21 H new ATOM 0 HA TYR A 76 -9.061 -1.694 7.782 1.00 0.22 H new ATOM 0 HB2 TYR A 76 -9.857 -2.399 4.948 1.00 0.24 H new ATOM 0 HB3 TYR A 76 -9.052 -3.565 5.979 1.00 0.24 H new ATOM 0 HD1 TYR A 76 -10.159 -3.855 8.396 1.00 0.74 H new ATOM 0 HD2 TYR A 76 -12.185 -2.328 4.975 1.00 0.44 H new ATOM 0 HE1 TYR A 76 -12.315 -4.433 9.417 1.00 0.92 H new ATOM 0 HE2 TYR A 76 -14.341 -2.911 5.986 1.00 0.61 H new ATOM 0 HH TYR A 76 -15.393 -3.802 7.722 1.00 0.99 H new ATOM 1094 N PHE A 77 -7.084 -0.558 5.570 1.00 0.18 N ATOM 1095 CA PHE A 77 -5.698 -0.397 5.158 1.00 0.21 C ATOM 1096 C PHE A 77 -5.068 0.758 5.925 1.00 0.24 C ATOM 1097 O PHE A 77 -3.855 0.909 5.950 1.00 0.27 O ATOM 1098 CB PHE A 77 -5.632 -0.081 3.667 1.00 0.20 C ATOM 1099 CG PHE A 77 -5.545 -1.284 2.778 1.00 0.16 C ATOM 1100 CD1 PHE A 77 -4.708 -2.344 3.078 1.00 0.17 C ATOM 1101 CD2 PHE A 77 -6.298 -1.341 1.618 1.00 0.22 C ATOM 1102 CE1 PHE A 77 -4.630 -3.445 2.243 1.00 0.19 C ATOM 1103 CE2 PHE A 77 -6.222 -2.435 0.779 1.00 0.26 C ATOM 1104 CZ PHE A 77 -5.386 -3.488 1.091 1.00 0.24 C ATOM 0 H PHE A 77 -7.710 0.162 5.209 1.00 0.18 H new ATOM 0 HA PHE A 77 -5.161 -1.323 5.364 1.00 0.21 H new ATOM 0 HB2 PHE A 77 -6.515 0.495 3.392 1.00 0.20 H new ATOM 0 HB3 PHE A 77 -4.766 0.555 3.482 1.00 0.20 H new ATOM 0 HD1 PHE A 77 -4.108 -2.312 3.975 1.00 0.17 H new ATOM 0 HD2 PHE A 77 -6.953 -0.520 1.366 1.00 0.22 H new ATOM 0 HE1 PHE A 77 -3.978 -4.269 2.493 1.00 0.19 H new ATOM 0 HE2 PHE A 77 -6.817 -2.467 -0.122 1.00 0.26 H new ATOM 0 HZ PHE A 77 -5.324 -4.343 0.434 1.00 0.24 H new ATOM 1114 N LYS A 78 -5.918 1.587 6.527 1.00 0.27 N ATOM 1115 CA LYS A 78 -5.475 2.765 7.276 1.00 0.34 C ATOM 1116 C LYS A 78 -4.451 2.426 8.359 1.00 0.37 C ATOM 1117 O LYS A 78 -3.552 3.219 8.637 1.00 0.42 O ATOM 1118 CB LYS A 78 -6.685 3.471 7.898 1.00 0.43 C ATOM 1119 CG LYS A 78 -6.614 4.989 7.845 1.00 0.68 C ATOM 1120 CD LYS A 78 -6.365 5.485 6.429 1.00 0.82 C ATOM 1121 CE LYS A 78 -7.507 6.351 5.924 1.00 0.98 C ATOM 1122 NZ LYS A 78 -7.227 7.798 6.113 1.00 1.37 N ATOM 0 H LYS A 78 -6.930 1.463 6.511 1.00 0.27 H new ATOM 0 HA LYS A 78 -4.979 3.429 6.568 1.00 0.34 H new ATOM 0 HB2 LYS A 78 -7.588 3.142 7.383 1.00 0.43 H new ATOM 0 HB3 LYS A 78 -6.779 3.159 8.938 1.00 0.43 H new ATOM 0 HG2 LYS A 78 -7.546 5.411 8.221 1.00 0.68 H new ATOM 0 HG3 LYS A 78 -5.817 5.340 8.500 1.00 0.68 H new ATOM 0 HD2 LYS A 78 -5.437 6.056 6.402 1.00 0.82 H new ATOM 0 HD3 LYS A 78 -6.234 4.632 5.763 1.00 0.82 H new ATOM 0 HE2 LYS A 78 -7.677 6.149 4.866 1.00 0.98 H new ATOM 0 HE3 LYS A 78 -8.424 6.086 6.450 1.00 0.98 H new ATOM 0 HZ1 LYS A 78 -7.796 8.352 5.442 1.00 1.37 H new ATOM 0 HZ2 LYS A 78 -7.471 8.075 7.085 1.00 1.37 H new ATOM 0 HZ3 LYS A 78 -6.217 7.981 5.944 1.00 1.37 H new ATOM 1136 N ALA A 79 -4.568 1.245 8.956 1.00 0.37 N ATOM 1137 CA ALA A 79 -3.623 0.831 9.984 1.00 0.46 C ATOM 1138 C ALA A 79 -2.293 0.454 9.348 1.00 0.41 C ATOM 1139 O ALA A 79 -1.222 0.688 9.915 1.00 0.49 O ATOM 1140 CB ALA A 79 -4.173 -0.336 10.787 1.00 0.56 C ATOM 0 H ALA A 79 -5.299 0.565 8.748 1.00 0.37 H new ATOM 0 HA ALA A 79 -3.467 1.668 10.665 1.00 0.46 H new ATOM 0 HB1 ALA A 79 -3.449 -0.627 11.548 1.00 0.56 H new ATOM 0 HB2 ALA A 79 -5.106 -0.040 11.267 1.00 0.56 H new ATOM 0 HB3 ALA A 79 -4.359 -1.179 10.122 1.00 0.56 H new ATOM 1146 N THR A 80 -2.375 -0.121 8.159 1.00 0.31 N ATOM 1147 CA THR A 80 -1.203 -0.534 7.416 1.00 0.30 C ATOM 1148 C THR A 80 -0.498 0.670 6.791 1.00 0.24 C ATOM 1149 O THR A 80 0.725 0.807 6.890 1.00 0.27 O ATOM 1150 CB THR A 80 -1.606 -1.540 6.324 1.00 0.36 C ATOM 1151 OG1 THR A 80 -2.925 -2.031 6.606 1.00 0.53 O ATOM 1152 CG2 THR A 80 -0.628 -2.705 6.262 1.00 0.46 C ATOM 0 H THR A 80 -3.257 -0.313 7.685 1.00 0.31 H new ATOM 0 HA THR A 80 -0.507 -1.011 8.106 1.00 0.30 H new ATOM 0 HB THR A 80 -1.590 -1.034 5.359 1.00 0.36 H new ATOM 0 HG1 THR A 80 -2.862 -2.913 7.029 1.00 0.53 H new ATOM 0 HG21 THR A 80 -0.938 -3.400 5.481 1.00 0.46 H new ATOM 0 HG22 THR A 80 0.371 -2.330 6.038 1.00 0.46 H new ATOM 0 HG23 THR A 80 -0.615 -3.221 7.222 1.00 0.46 H new ATOM 1160 N ILE A 81 -1.277 1.552 6.169 1.00 0.21 N ATOM 1161 CA ILE A 81 -0.738 2.757 5.546 1.00 0.24 C ATOM 1162 C ILE A 81 -0.054 3.634 6.598 1.00 0.28 C ATOM 1163 O ILE A 81 0.844 4.405 6.284 1.00 0.34 O ATOM 1164 CB ILE A 81 -1.843 3.574 4.819 1.00 0.30 C ATOM 1165 CG1 ILE A 81 -2.655 2.676 3.887 1.00 0.37 C ATOM 1166 CG2 ILE A 81 -1.246 4.725 4.023 1.00 0.34 C ATOM 1167 CD1 ILE A 81 -3.999 3.257 3.506 1.00 0.55 C ATOM 0 H ILE A 81 -2.289 1.453 6.083 1.00 0.21 H new ATOM 0 HA ILE A 81 -0.008 2.442 4.801 1.00 0.24 H new ATOM 0 HB ILE A 81 -2.501 3.985 5.585 1.00 0.30 H new ATOM 0 HG12 ILE A 81 -2.078 2.491 2.981 1.00 0.37 H new ATOM 0 HG13 ILE A 81 -2.809 1.711 4.369 1.00 0.37 H new ATOM 0 HG21 ILE A 81 -2.044 5.277 3.527 1.00 0.34 H new ATOM 0 HG22 ILE A 81 -0.708 5.392 4.696 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.557 4.332 3.275 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.520 2.566 2.843 1.00 0.55 H new ATOM 0 HD12 ILE A 81 -4.595 3.416 4.405 1.00 0.55 H new ATOM 0 HD13 ILE A 81 -3.852 4.208 2.995 1.00 0.55 H new ATOM 1179 N ALA A 82 -0.478 3.495 7.853 1.00 0.31 N ATOM 1180 CA ALA A 82 0.100 4.262 8.951 1.00 0.39 C ATOM 1181 C ALA A 82 1.449 3.688 9.382 1.00 0.41 C ATOM 1182 O ALA A 82 2.351 4.421 9.794 1.00 0.53 O ATOM 1183 CB ALA A 82 -0.854 4.283 10.135 1.00 0.46 C ATOM 0 H ALA A 82 -1.222 2.856 8.133 1.00 0.31 H new ATOM 0 HA ALA A 82 0.262 5.280 8.598 1.00 0.39 H new ATOM 0 HB1 ALA A 82 -0.412 4.858 10.948 1.00 0.46 H new ATOM 0 HB2 ALA A 82 -1.796 4.743 9.835 1.00 0.46 H new ATOM 0 HB3 ALA A 82 -1.039 3.263 10.471 1.00 0.46 H new ATOM 1189 N ASP A 83 1.582 2.374 9.288 1.00 0.37 N ATOM 1190 CA ASP A 83 2.813 1.699 9.671 1.00 0.42 C ATOM 1191 C ASP A 83 3.853 1.801 8.567 1.00 0.39 C ATOM 1192 O ASP A 83 5.018 2.083 8.827 1.00 0.46 O ATOM 1193 CB ASP A 83 2.523 0.226 9.980 1.00 0.47 C ATOM 1194 CG ASP A 83 3.771 -0.642 9.957 1.00 0.80 C ATOM 1195 OD1 ASP A 83 4.701 -0.383 10.753 1.00 1.40 O ATOM 1196 OD2 ASP A 83 3.824 -1.591 9.147 1.00 1.37 O ATOM 0 H ASP A 83 0.849 1.751 8.948 1.00 0.37 H new ATOM 0 HA ASP A 83 3.210 2.185 10.562 1.00 0.42 H new ATOM 0 HB2 ASP A 83 2.053 0.152 10.961 1.00 0.47 H new ATOM 0 HB3 ASP A 83 1.807 -0.158 9.254 1.00 0.47 H new ATOM 1201 N LEU A 84 3.434 1.563 7.340 1.00 0.32 N ATOM 1202 CA LEU A 84 4.346 1.606 6.202 1.00 0.31 C ATOM 1203 C LEU A 84 4.901 3.006 5.939 1.00 0.35 C ATOM 1204 O LEU A 84 6.036 3.151 5.476 1.00 0.42 O ATOM 1205 CB LEU A 84 3.652 1.055 4.965 1.00 0.29 C ATOM 1206 CG LEU A 84 3.184 -0.395 5.106 1.00 0.36 C ATOM 1207 CD1 LEU A 84 1.965 -0.650 4.244 1.00 0.40 C ATOM 1208 CD2 LEU A 84 4.305 -1.355 4.748 1.00 0.48 C ATOM 0 H LEU A 84 2.469 1.337 7.100 1.00 0.32 H new ATOM 0 HA LEU A 84 5.204 0.980 6.447 1.00 0.31 H new ATOM 0 HB2 LEU A 84 2.791 1.683 4.734 1.00 0.29 H new ATOM 0 HB3 LEU A 84 4.334 1.125 4.117 1.00 0.29 H new ATOM 0 HG LEU A 84 2.907 -0.566 6.146 1.00 0.36 H new ATOM 0 HD11 LEU A 84 1.649 -1.687 4.359 1.00 0.40 H new ATOM 0 HD12 LEU A 84 1.156 0.013 4.552 1.00 0.40 H new ATOM 0 HD13 LEU A 84 2.212 -0.460 3.199 1.00 0.40 H new ATOM 0 HD21 LEU A 84 3.953 -2.381 4.854 1.00 0.48 H new ATOM 0 HD22 LEU A 84 4.616 -1.183 3.718 1.00 0.48 H new ATOM 0 HD23 LEU A 84 5.151 -1.191 5.415 1.00 0.48 H new ATOM 1220 N SER A 85 4.136 4.041 6.268 1.00 0.37 N ATOM 1221 CA SER A 85 4.603 5.411 6.076 1.00 0.50 C ATOM 1222 C SER A 85 5.671 5.739 7.112 1.00 0.61 C ATOM 1223 O SER A 85 6.579 6.532 6.865 1.00 0.73 O ATOM 1224 CB SER A 85 3.441 6.396 6.196 1.00 0.57 C ATOM 1225 OG SER A 85 2.565 6.019 7.243 1.00 1.37 O ATOM 0 H SER A 85 3.200 3.961 6.665 1.00 0.37 H new ATOM 0 HA SER A 85 5.029 5.499 5.077 1.00 0.50 H new ATOM 0 HB2 SER A 85 3.826 7.398 6.382 1.00 0.57 H new ATOM 0 HB3 SER A 85 2.893 6.435 5.254 1.00 0.57 H new ATOM 0 HG SER A 85 1.713 5.718 6.864 1.00 1.37 H new ATOM 1231 N LYS A 86 5.560 5.101 8.269 1.00 0.60 N ATOM 1232 CA LYS A 86 6.505 5.298 9.350 1.00 0.74 C ATOM 1233 C LYS A 86 7.707 4.376 9.171 1.00 0.78 C ATOM 1234 O LYS A 86 8.724 4.509 9.854 1.00 0.98 O ATOM 1235 CB LYS A 86 5.813 5.021 10.684 1.00 0.75 C ATOM 1236 CG LYS A 86 6.236 5.957 11.798 1.00 1.29 C ATOM 1237 CD LYS A 86 7.328 5.349 12.654 1.00 1.79 C ATOM 1238 CE LYS A 86 8.438 6.350 12.909 1.00 2.34 C ATOM 1239 NZ LYS A 86 9.296 6.565 11.711 1.00 3.07 N ATOM 0 H LYS A 86 4.815 4.437 8.480 1.00 0.60 H new ATOM 0 HA LYS A 86 6.859 6.329 9.339 1.00 0.74 H new ATOM 0 HB2 LYS A 86 4.735 5.099 10.546 1.00 0.75 H new ATOM 0 HB3 LYS A 86 6.023 3.995 10.985 1.00 0.75 H new ATOM 0 HG2 LYS A 86 6.588 6.896 11.371 1.00 1.29 H new ATOM 0 HG3 LYS A 86 5.374 6.194 12.422 1.00 1.29 H new ATOM 0 HD2 LYS A 86 6.908 5.016 13.603 1.00 1.79 H new ATOM 0 HD3 LYS A 86 7.735 4.467 12.159 1.00 1.79 H new ATOM 0 HE2 LYS A 86 8.002 7.301 13.216 1.00 2.34 H new ATOM 0 HE3 LYS A 86 9.055 6.001 13.737 1.00 2.34 H new ATOM 0 HZ1 LYS A 86 10.297 6.538 11.992 1.00 3.07 H new ATOM 0 HZ2 LYS A 86 9.111 5.817 11.013 1.00 3.07 H new ATOM 0 HZ3 LYS A 86 9.080 7.491 11.291 1.00 3.07 H new ATOM 1253 N LYS A 87 7.576 3.428 8.246 1.00 0.75 N ATOM 1254 CA LYS A 87 8.638 2.467 7.962 1.00 0.86 C ATOM 1255 C LYS A 87 9.461 2.909 6.760 1.00 0.93 C ATOM 1256 O LYS A 87 10.559 2.403 6.521 1.00 1.11 O ATOM 1257 CB LYS A 87 8.049 1.075 7.706 1.00 0.91 C ATOM 1258 CG LYS A 87 7.526 0.384 8.951 1.00 1.01 C ATOM 1259 CD LYS A 87 8.541 -0.614 9.486 1.00 1.35 C ATOM 1260 CE LYS A 87 7.869 -1.832 10.092 1.00 2.18 C ATOM 1261 NZ LYS A 87 7.051 -1.459 11.274 1.00 2.78 N ATOM 0 H LYS A 87 6.738 3.305 7.677 1.00 0.75 H new ATOM 0 HA LYS A 87 9.291 2.421 8.834 1.00 0.86 H new ATOM 0 HB2 LYS A 87 7.237 1.163 6.984 1.00 0.91 H new ATOM 0 HB3 LYS A 87 8.814 0.447 7.250 1.00 0.91 H new ATOM 0 HG2 LYS A 87 7.302 1.127 9.717 1.00 1.01 H new ATOM 0 HG3 LYS A 87 6.592 -0.129 8.722 1.00 1.01 H new ATOM 0 HD2 LYS A 87 9.202 -0.928 8.678 1.00 1.35 H new ATOM 0 HD3 LYS A 87 9.164 -0.131 10.239 1.00 1.35 H new ATOM 0 HE2 LYS A 87 7.237 -2.312 9.345 1.00 2.18 H new ATOM 0 HE3 LYS A 87 8.625 -2.561 10.384 1.00 2.18 H new ATOM 0 HZ1 LYS A 87 6.955 -2.281 11.903 1.00 2.78 H new ATOM 0 HZ2 LYS A 87 7.516 -0.683 11.787 1.00 2.78 H new ATOM 0 HZ3 LYS A 87 6.108 -1.151 10.961 1.00 2.78 H new ATOM 1275 N ARG A 88 8.911 3.850 6.002 1.00 0.86 N ATOM 1276 CA ARG A 88 9.566 4.376 4.813 1.00 1.01 C ATOM 1277 C ARG A 88 10.902 5.018 5.153 1.00 1.29 C ATOM 1278 O ARG A 88 10.954 6.058 5.817 1.00 1.77 O ATOM 1279 CB ARG A 88 8.657 5.392 4.120 1.00 1.08 C ATOM 1280 CG ARG A 88 9.146 5.776 2.734 1.00 1.51 C ATOM 1281 CD ARG A 88 8.313 6.890 2.122 1.00 1.54 C ATOM 1282 NE ARG A 88 8.370 6.890 0.664 1.00 1.87 N ATOM 1283 CZ ARG A 88 7.325 7.146 -0.117 1.00 2.17 C ATOM 1284 NH1 ARG A 88 6.132 7.402 0.420 1.00 2.14 N ATOM 1285 NH2 ARG A 88 7.483 7.159 -1.438 1.00 3.01 N ATOM 0 H ARG A 88 8.001 4.268 6.194 1.00 0.86 H new ATOM 0 HA ARG A 88 9.757 3.542 4.138 1.00 1.01 H new ATOM 0 HB2 ARG A 88 7.651 4.979 4.043 1.00 1.08 H new ATOM 0 HB3 ARG A 88 8.587 6.288 4.736 1.00 1.08 H new ATOM 0 HG2 ARG A 88 10.187 6.093 2.792 1.00 1.51 H new ATOM 0 HG3 ARG A 88 9.115 4.902 2.084 1.00 1.51 H new ATOM 0 HD2 ARG A 88 7.277 6.783 2.442 1.00 1.54 H new ATOM 0 HD3 ARG A 88 8.665 7.851 2.497 1.00 1.54 H new ATOM 0 HE ARG A 88 9.263 6.682 0.218 1.00 1.87 H new ATOM 0 HH11 ARG A 88 6.018 7.402 1.434 1.00 2.14 H new ATOM 0 HH12 ARG A 88 5.333 7.598 -0.183 1.00 2.14 H new ATOM 0 HH21 ARG A 88 8.400 6.973 -1.844 1.00 3.01 H new ATOM 0 HH22 ARG A 88 6.687 7.354 -2.045 1.00 3.01 H new ATOM 1299 N SER A 89 11.971 4.374 4.690 1.00 1.73 N ATOM 1300 CA SER A 89 13.331 4.836 4.916 1.00 2.12 C ATOM 1301 C SER A 89 13.652 4.856 6.413 1.00 2.14 C ATOM 1302 O SER A 89 14.483 5.645 6.866 1.00 2.69 O ATOM 1303 CB SER A 89 13.543 6.224 4.293 1.00 2.71 C ATOM 1304 OG SER A 89 12.743 6.388 3.124 1.00 3.17 O ATOM 0 H SER A 89 11.914 3.513 4.145 1.00 1.73 H new ATOM 0 HA SER A 89 14.015 4.139 4.431 1.00 2.12 H new ATOM 0 HB2 SER A 89 13.292 6.995 5.021 1.00 2.71 H new ATOM 0 HB3 SER A 89 14.595 6.356 4.039 1.00 2.71 H new ATOM 0 HG SER A 89 12.894 7.280 2.747 1.00 3.17 H new ATOM 1310 N SER A 90 12.969 3.983 7.168 1.00 2.07 N ATOM 1311 CA SER A 90 13.140 3.863 8.624 1.00 2.75 C ATOM 1312 C SER A 90 12.532 5.058 9.376 1.00 3.15 C ATOM 1313 O SER A 90 11.822 4.879 10.367 1.00 3.96 O ATOM 1314 CB SER A 90 14.618 3.675 8.989 1.00 3.34 C ATOM 1315 OG SER A 90 15.252 2.756 8.102 1.00 3.54 O ATOM 0 H SER A 90 12.279 3.337 6.784 1.00 2.07 H new ATOM 0 HA SER A 90 12.595 2.974 8.941 1.00 2.75 H new ATOM 0 HB2 SER A 90 15.131 4.636 8.950 1.00 3.34 H new ATOM 0 HB3 SER A 90 14.700 3.312 10.013 1.00 3.34 H new ATOM 0 HG SER A 90 16.194 2.654 8.354 1.00 3.54 H new ATOM 1321 N GLU A 91 12.803 6.269 8.903 1.00 3.20 N ATOM 1322 CA GLU A 91 12.276 7.477 9.528 1.00 4.20 C ATOM 1323 C GLU A 91 11.670 8.387 8.466 1.00 4.96 C ATOM 1324 O GLU A 91 12.394 8.759 7.523 1.00 5.32 O ATOM 1325 CB GLU A 91 13.381 8.220 10.286 1.00 4.72 C ATOM 1326 CG GLU A 91 13.556 7.767 11.733 1.00 5.09 C ATOM 1327 CD GLU A 91 12.343 8.068 12.593 1.00 5.88 C ATOM 1328 OE1 GLU A 91 12.096 9.259 12.902 1.00 6.44 O ATOM 1329 OE2 GLU A 91 11.629 7.120 12.968 1.00 6.23 O ATOM 1330 OXT GLU A 91 10.469 8.712 8.573 1.00 5.59 O ATOM 0 H GLU A 91 13.387 6.441 8.085 1.00 3.20 H new ATOM 0 HA GLU A 91 11.502 7.190 10.240 1.00 4.20 H new ATOM 0 HB2 GLU A 91 14.324 8.084 9.757 1.00 4.72 H new ATOM 0 HB3 GLU A 91 13.160 9.287 10.275 1.00 4.72 H new ATOM 0 HG2 GLU A 91 13.753 6.695 11.752 1.00 5.09 H new ATOM 0 HG3 GLU A 91 14.430 8.259 12.160 1.00 5.09 H new TER 1337 GLU A 91