USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 669 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 HIS : no HD1:sc= -0.973 X(o=-4.2,f=-4.4) USER MOD Set 1.2: A 67 HIS : no HD1:sc= -2.93! C(o=-4.2!,f=-5!) USER MOD Set 1.3: A 102 HIS : no HD1:sc= -0.269 X(o=-4.2,f=-3.9) USER MOD Set 2.1: A 53 ASN : amide:sc= 2.09 K(o=3.3,f=-0.19) USER MOD Set 2.2: A 55 SER OG : rot -91:sc= 1.24 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 84:sc= 0.938 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 136:sc= 1.01 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.321 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 86 HIS : no HD1:sc= -0.276 X(o=-0.28,f=-0.0087) USER MOD Single : A 90 HIS : no HE2:sc= -0.0789 X(o=-0.079,f=-0.014) USER MOD Single : A 107 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.15) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.171 K(o=-0.17,f=-5!) USER MOD Single : A 117 ASN : amide:sc= 0.547 K(o=0.55,f=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 31 -1.077 12.174 8.953 1.00 1.35 N ATOM 2 CA PRO A 31 -0.419 11.917 7.673 1.00 1.21 C ATOM 3 C PRO A 31 -0.999 10.695 6.958 1.00 1.08 C ATOM 4 O PRO A 31 -1.372 9.705 7.594 1.00 1.09 O ATOM 5 CB PRO A 31 1.066 11.702 7.984 1.00 1.26 C ATOM 6 CG PRO A 31 1.104 11.427 9.480 1.00 1.61 C ATOM 7 CD PRO A 31 -0.081 12.222 10.013 1.00 1.45 C ATOM 0 HA PRO A 31 -0.573 12.759 6.999 1.00 1.21 H new ATOM 0 HB2 PRO A 31 1.474 10.866 7.416 1.00 1.26 H new ATOM 0 HB3 PRO A 31 1.657 12.581 7.726 1.00 1.26 H new ATOM 0 HG2 PRO A 31 1.005 10.363 9.696 1.00 1.61 H new ATOM 0 HG3 PRO A 31 2.043 11.756 9.926 1.00 1.61 H new ATOM 0 HD2 PRO A 31 -0.465 11.786 10.935 1.00 1.45 H new ATOM 0 HD3 PRO A 31 0.204 13.249 10.240 1.00 1.45 H new ATOM 15 N VAL A 32 -1.023 10.748 5.626 1.00 1.06 N ATOM 16 CA VAL A 32 -1.721 9.782 4.751 1.00 1.05 C ATOM 17 C VAL A 32 -1.313 8.323 4.966 1.00 0.89 C ATOM 18 O VAL A 32 -2.083 7.391 4.757 1.00 0.91 O ATOM 19 CB VAL A 32 -1.495 10.181 3.278 1.00 1.18 C ATOM 20 CG1 VAL A 32 -0.030 10.102 2.816 1.00 2.46 C ATOM 21 CG2 VAL A 32 -2.311 9.302 2.335 1.00 2.07 C ATOM 0 H VAL A 32 -0.546 11.482 5.103 1.00 1.06 H new ATOM 0 HA VAL A 32 -2.777 9.832 5.016 1.00 1.05 H new ATOM 0 HB VAL A 32 -1.814 11.223 3.235 1.00 1.18 H new ATOM 0 HG11 VAL A 32 0.038 10.399 1.769 1.00 2.46 H new ATOM 0 HG12 VAL A 32 0.580 10.771 3.423 1.00 2.46 H new ATOM 0 HG13 VAL A 32 0.332 9.080 2.927 1.00 2.46 H new ATOM 0 HG21 VAL A 32 -2.130 9.608 1.305 1.00 2.07 H new ATOM 0 HG22 VAL A 32 -2.015 8.260 2.461 1.00 2.07 H new ATOM 0 HG23 VAL A 32 -3.371 9.409 2.564 1.00 2.07 H new ATOM 31 N GLU A 33 -0.077 8.121 5.388 1.00 0.79 N ATOM 32 CA GLU A 33 0.569 6.806 5.469 1.00 0.71 C ATOM 33 C GLU A 33 0.245 6.083 6.777 1.00 0.75 C ATOM 34 O GLU A 33 -0.133 4.913 6.792 1.00 0.71 O ATOM 35 CB GLU A 33 2.055 6.965 5.128 1.00 0.94 C ATOM 36 CG GLU A 33 2.938 7.798 6.065 1.00 1.33 C ATOM 37 CD GLU A 33 3.949 8.630 5.255 1.00 2.25 C ATOM 38 OE1 GLU A 33 3.617 9.778 4.884 1.00 3.25 O ATOM 39 OE2 GLU A 33 5.078 8.155 4.971 1.00 3.02 O ATOM 0 H GLU A 33 0.528 8.883 5.694 1.00 0.79 H new ATOM 0 HA GLU A 33 0.159 6.125 4.723 1.00 0.71 H new ATOM 0 HB2 GLU A 33 2.489 5.967 5.065 1.00 0.94 H new ATOM 0 HB3 GLU A 33 2.121 7.405 4.133 1.00 0.94 H new ATOM 0 HG2 GLU A 33 2.316 8.458 6.669 1.00 1.33 H new ATOM 0 HG3 GLU A 33 3.468 7.141 6.754 1.00 1.33 H new ATOM 46 N ALA A 34 0.243 6.852 7.859 1.00 0.98 N ATOM 47 CA ALA A 34 -0.381 6.465 9.124 1.00 1.15 C ATOM 48 C ALA A 34 -1.900 6.234 8.959 1.00 1.17 C ATOM 49 O ALA A 34 -2.440 5.223 9.423 1.00 1.25 O ATOM 50 CB ALA A 34 -0.041 7.540 10.160 1.00 1.33 C ATOM 0 H ALA A 34 0.679 7.774 7.886 1.00 0.98 H new ATOM 0 HA ALA A 34 0.010 5.508 9.469 1.00 1.15 H new ATOM 0 HB1 ALA A 34 -0.493 7.279 11.117 1.00 1.33 H new ATOM 0 HB2 ALA A 34 1.041 7.604 10.276 1.00 1.33 H new ATOM 0 HB3 ALA A 34 -0.428 8.503 9.826 1.00 1.33 H new ATOM 56 N ALA A 35 -2.577 7.129 8.230 1.00 1.17 N ATOM 57 CA ALA A 35 -3.997 6.998 7.930 1.00 1.32 C ATOM 58 C ALA A 35 -4.313 5.712 7.151 1.00 1.17 C ATOM 59 O ALA A 35 -5.239 4.999 7.531 1.00 1.25 O ATOM 60 CB ALA A 35 -4.467 8.246 7.178 1.00 1.45 C ATOM 0 H ALA A 35 -2.149 7.965 7.833 1.00 1.17 H new ATOM 0 HA ALA A 35 -4.544 6.917 8.869 1.00 1.32 H new ATOM 0 HB1 ALA A 35 -5.529 8.155 6.950 1.00 1.45 H new ATOM 0 HB2 ALA A 35 -4.303 9.128 7.798 1.00 1.45 H new ATOM 0 HB3 ALA A 35 -3.904 8.345 6.250 1.00 1.45 H new ATOM 66 N ILE A 36 -3.538 5.362 6.115 1.00 0.99 N ATOM 67 CA ILE A 36 -3.785 4.151 5.317 1.00 0.92 C ATOM 68 C ILE A 36 -3.420 2.874 6.068 1.00 0.74 C ATOM 69 O ILE A 36 -4.178 1.916 5.992 1.00 0.77 O ATOM 70 CB ILE A 36 -3.127 4.241 3.930 1.00 1.05 C ATOM 71 CG1 ILE A 36 -3.915 3.416 2.902 1.00 1.54 C ATOM 72 CG2 ILE A 36 -1.647 3.838 3.913 1.00 1.53 C ATOM 73 CD1 ILE A 36 -3.444 3.648 1.467 1.00 1.92 C ATOM 0 H ILE A 36 -2.730 5.904 5.808 1.00 0.99 H new ATOM 0 HA ILE A 36 -4.860 4.093 5.146 1.00 0.92 H new ATOM 0 HB ILE A 36 -3.156 5.296 3.658 1.00 1.05 H new ATOM 0 HG12 ILE A 36 -3.820 2.357 3.144 1.00 1.54 H new ATOM 0 HG13 ILE A 36 -4.973 3.666 2.977 1.00 1.54 H new ATOM 0 HG21 ILE A 36 -1.257 3.929 2.899 1.00 1.53 H new ATOM 0 HG22 ILE A 36 -1.084 4.493 4.578 1.00 1.53 H new ATOM 0 HG23 ILE A 36 -1.547 2.806 4.249 1.00 1.53 H new ATOM 0 HD11 ILE A 36 -4.038 3.038 0.786 1.00 1.92 H new ATOM 0 HD12 ILE A 36 -3.564 4.700 1.210 1.00 1.92 H new ATOM 0 HD13 ILE A 36 -2.393 3.371 1.380 1.00 1.92 H new ATOM 85 N ARG A 37 -2.336 2.864 6.860 1.00 0.72 N ATOM 86 CA ARG A 37 -2.068 1.781 7.837 1.00 0.80 C ATOM 87 C ARG A 37 -3.319 1.500 8.675 1.00 0.89 C ATOM 88 O ARG A 37 -3.842 0.388 8.646 1.00 0.83 O ATOM 89 CB ARG A 37 -0.882 2.139 8.749 1.00 1.03 C ATOM 90 CG ARG A 37 0.484 2.040 8.058 1.00 2.13 C ATOM 91 CD ARG A 37 1.392 0.947 8.650 1.00 3.33 C ATOM 92 NE ARG A 37 1.874 1.292 9.999 1.00 3.32 N ATOM 93 CZ ARG A 37 2.599 0.538 10.806 1.00 4.66 C ATOM 94 NH1 ARG A 37 3.193 -0.552 10.420 1.00 6.27 N ATOM 95 NH2 ARG A 37 2.736 0.862 12.055 1.00 4.95 N ATOM 0 H ARG A 37 -1.624 3.595 6.847 1.00 0.72 H new ATOM 0 HA ARG A 37 -1.806 0.881 7.281 1.00 0.80 H new ATOM 0 HB2 ARG A 37 -1.017 3.154 9.123 1.00 1.03 H new ATOM 0 HB3 ARG A 37 -0.889 1.477 9.615 1.00 1.03 H new ATOM 0 HG2 ARG A 37 0.332 1.840 6.997 1.00 2.13 H new ATOM 0 HG3 ARG A 37 0.991 3.002 8.132 1.00 2.13 H new ATOM 0 HD2 ARG A 37 0.844 0.006 8.692 1.00 3.33 H new ATOM 0 HD3 ARG A 37 2.246 0.790 7.991 1.00 3.33 H new ATOM 0 HE ARG A 37 1.620 2.216 10.349 1.00 3.32 H new ATOM 0 HH11 ARG A 37 3.111 -0.862 9.452 1.00 6.27 H new ATOM 0 HH12 ARG A 37 3.741 -1.097 11.085 1.00 6.27 H new ATOM 0 HH21 ARG A 37 2.283 1.701 12.417 1.00 4.95 H new ATOM 0 HH22 ARG A 37 3.297 0.277 12.675 1.00 4.95 H new ATOM 109 N THR A 38 -3.844 2.533 9.337 1.00 1.09 N ATOM 110 CA THR A 38 -5.083 2.425 10.142 1.00 1.27 C ATOM 111 C THR A 38 -6.324 2.014 9.323 1.00 1.23 C ATOM 112 O THR A 38 -7.035 1.081 9.705 1.00 1.26 O ATOM 113 CB THR A 38 -5.306 3.737 10.911 1.00 1.57 C ATOM 114 OG1 THR A 38 -4.438 3.767 12.023 1.00 1.79 O ATOM 115 CG2 THR A 38 -6.710 3.915 11.484 1.00 1.61 C ATOM 0 H THR A 38 -3.433 3.466 9.337 1.00 1.09 H new ATOM 0 HA THR A 38 -4.943 1.609 10.851 1.00 1.27 H new ATOM 0 HB THR A 38 -5.130 4.526 10.180 1.00 1.57 H new ATOM 0 HG1 THR A 38 -4.571 4.601 12.520 1.00 1.79 H new ATOM 0 HG21 THR A 38 -6.771 4.869 12.008 1.00 1.61 H new ATOM 0 HG22 THR A 38 -7.438 3.900 10.673 1.00 1.61 H new ATOM 0 HG23 THR A 38 -6.924 3.104 12.180 1.00 1.61 H new ATOM 123 N LYS A 39 -6.593 2.643 8.171 1.00 1.21 N ATOM 124 CA LYS A 39 -7.754 2.301 7.326 1.00 1.32 C ATOM 125 C LYS A 39 -7.691 0.854 6.823 1.00 1.25 C ATOM 126 O LYS A 39 -8.726 0.190 6.777 1.00 1.40 O ATOM 127 CB LYS A 39 -7.895 3.287 6.145 1.00 1.34 C ATOM 128 CG LYS A 39 -8.922 4.407 6.381 1.00 2.13 C ATOM 129 CD LYS A 39 -8.507 5.487 7.392 1.00 3.51 C ATOM 130 CE LYS A 39 -9.678 6.465 7.540 1.00 4.55 C ATOM 131 NZ LYS A 39 -9.392 7.588 8.461 1.00 6.40 N ATOM 0 H LYS A 39 -6.019 3.399 7.797 1.00 1.21 H new ATOM 0 HA LYS A 39 -8.641 2.390 7.953 1.00 1.32 H new ATOM 0 HB2 LYS A 39 -6.923 3.737 5.943 1.00 1.34 H new ATOM 0 HB3 LYS A 39 -8.180 2.730 5.253 1.00 1.34 H new ATOM 0 HG2 LYS A 39 -9.132 4.890 5.427 1.00 2.13 H new ATOM 0 HG3 LYS A 39 -9.854 3.955 6.721 1.00 2.13 H new ATOM 0 HD2 LYS A 39 -8.262 5.036 8.354 1.00 3.51 H new ATOM 0 HD3 LYS A 39 -7.614 6.009 7.048 1.00 3.51 H new ATOM 0 HE2 LYS A 39 -9.934 6.865 6.559 1.00 4.55 H new ATOM 0 HE3 LYS A 39 -10.552 5.922 7.901 1.00 4.55 H new ATOM 0 HZ1 LYS A 39 -10.223 8.211 8.517 1.00 6.40 H new ATOM 0 HZ2 LYS A 39 -9.175 7.214 9.407 1.00 6.40 H new ATOM 0 HZ3 LYS A 39 -8.577 8.128 8.107 1.00 6.40 H new ATOM 145 N LEU A 40 -6.512 0.346 6.469 1.00 1.06 N ATOM 146 CA LEU A 40 -6.355 -0.990 5.891 1.00 0.96 C ATOM 147 C LEU A 40 -6.315 -2.096 6.967 1.00 0.89 C ATOM 148 O LEU A 40 -6.817 -3.196 6.712 1.00 0.92 O ATOM 149 CB LEU A 40 -5.174 -0.986 4.901 1.00 0.86 C ATOM 150 CG LEU A 40 -5.453 -0.333 3.517 1.00 1.08 C ATOM 151 CD1 LEU A 40 -6.198 -1.289 2.579 1.00 1.38 C ATOM 152 CD2 LEU A 40 -6.261 0.972 3.505 1.00 1.51 C ATOM 0 H LEU A 40 -5.633 0.852 6.575 1.00 1.06 H new ATOM 0 HA LEU A 40 -7.241 -1.247 5.310 1.00 0.96 H new ATOM 0 HB2 LEU A 40 -4.337 -0.465 5.365 1.00 0.86 H new ATOM 0 HB3 LEU A 40 -4.857 -2.016 4.738 1.00 0.86 H new ATOM 0 HG LEU A 40 -4.440 -0.098 3.189 1.00 1.08 H new ATOM 0 HD11 LEU A 40 -6.374 -0.797 1.623 1.00 1.38 H new ATOM 0 HD12 LEU A 40 -5.598 -2.185 2.421 1.00 1.38 H new ATOM 0 HD13 LEU A 40 -7.153 -1.567 3.026 1.00 1.38 H new ATOM 0 HD21 LEU A 40 -6.381 1.316 2.478 1.00 1.51 H new ATOM 0 HD22 LEU A 40 -7.242 0.796 3.946 1.00 1.51 H new ATOM 0 HD23 LEU A 40 -5.734 1.731 4.083 1.00 1.51 H new ATOM 164 N GLU A 41 -5.864 -1.785 8.193 1.00 0.89 N ATOM 165 CA GLU A 41 -6.164 -2.546 9.412 1.00 0.97 C ATOM 166 C GLU A 41 -7.674 -2.729 9.607 1.00 1.11 C ATOM 167 O GLU A 41 -8.161 -3.851 9.772 1.00 1.10 O ATOM 168 CB GLU A 41 -5.604 -1.726 10.578 1.00 0.95 C ATOM 169 CG GLU A 41 -5.464 -2.396 11.933 1.00 1.91 C ATOM 170 CD GLU A 41 -4.442 -3.535 11.985 1.00 2.26 C ATOM 171 OE1 GLU A 41 -4.778 -4.618 11.460 1.00 3.66 O ATOM 172 OE2 GLU A 41 -3.364 -3.366 12.609 1.00 2.99 O ATOM 0 H GLU A 41 -5.266 -0.977 8.366 1.00 0.89 H new ATOM 0 HA GLU A 41 -5.723 -3.541 9.350 1.00 0.97 H new ATOM 0 HB2 GLU A 41 -4.619 -1.362 10.285 1.00 0.95 H new ATOM 0 HB3 GLU A 41 -6.242 -0.851 10.705 1.00 0.95 H new ATOM 0 HG2 GLU A 41 -5.184 -1.642 12.668 1.00 1.91 H new ATOM 0 HG3 GLU A 41 -6.437 -2.786 12.232 1.00 1.91 H new ATOM 179 N GLU A 42 -8.422 -1.626 9.513 1.00 1.31 N ATOM 180 CA GLU A 42 -9.865 -1.591 9.566 1.00 1.53 C ATOM 181 C GLU A 42 -10.564 -2.248 8.346 1.00 1.54 C ATOM 182 O GLU A 42 -11.727 -2.651 8.474 1.00 1.78 O ATOM 183 CB GLU A 42 -10.184 -0.095 9.699 1.00 1.80 C ATOM 184 CG GLU A 42 -10.409 0.359 11.147 1.00 3.74 C ATOM 185 CD GLU A 42 -10.767 1.850 11.241 1.00 4.44 C ATOM 186 OE1 GLU A 42 -10.077 2.618 11.957 1.00 5.91 O ATOM 187 OE2 GLU A 42 -11.760 2.294 10.607 1.00 4.06 O ATOM 0 H GLU A 42 -8.010 -0.701 9.393 1.00 1.31 H new ATOM 0 HA GLU A 42 -10.249 -2.185 10.396 1.00 1.53 H new ATOM 0 HB2 GLU A 42 -9.365 0.482 9.269 1.00 1.80 H new ATOM 0 HB3 GLU A 42 -11.075 0.131 9.114 1.00 1.80 H new ATOM 0 HG2 GLU A 42 -11.209 -0.233 11.591 1.00 3.74 H new ATOM 0 HG3 GLU A 42 -9.508 0.166 11.730 1.00 3.74 H new ATOM 194 N ALA A 43 -9.888 -2.358 7.189 1.00 1.43 N ATOM 195 CA ALA A 43 -10.455 -2.846 5.919 1.00 1.50 C ATOM 196 C ALA A 43 -10.277 -4.339 5.571 1.00 1.33 C ATOM 197 O ALA A 43 -11.259 -4.972 5.174 1.00 1.49 O ATOM 198 CB ALA A 43 -9.846 -2.052 4.763 1.00 1.54 C ATOM 0 H ALA A 43 -8.904 -2.103 7.109 1.00 1.43 H new ATOM 0 HA ALA A 43 -11.527 -2.706 6.062 1.00 1.50 H new ATOM 0 HB1 ALA A 43 -10.260 -2.407 3.819 1.00 1.54 H new ATOM 0 HB2 ALA A 43 -10.078 -0.994 4.886 1.00 1.54 H new ATOM 0 HB3 ALA A 43 -8.765 -2.188 4.758 1.00 1.54 H new ATOM 204 N LEU A 44 -9.047 -4.888 5.577 1.00 1.06 N ATOM 205 CA LEU A 44 -8.764 -6.182 4.921 1.00 1.13 C ATOM 206 C LEU A 44 -8.420 -7.308 5.889 1.00 1.34 C ATOM 207 O LEU A 44 -8.447 -8.467 5.501 1.00 1.84 O ATOM 208 CB LEU A 44 -7.697 -6.075 3.829 1.00 1.13 C ATOM 209 CG LEU A 44 -6.268 -5.883 4.372 1.00 1.19 C ATOM 210 CD1 LEU A 44 -5.332 -7.043 4.024 1.00 1.10 C ATOM 211 CD2 LEU A 44 -5.751 -4.593 3.780 1.00 1.88 C ATOM 0 H LEU A 44 -8.237 -4.460 6.026 1.00 1.06 H new ATOM 0 HA LEU A 44 -9.709 -6.449 4.449 1.00 1.13 H new ATOM 0 HB2 LEU A 44 -7.725 -6.977 3.217 1.00 1.13 H new ATOM 0 HB3 LEU A 44 -7.943 -5.238 3.175 1.00 1.13 H new ATOM 0 HG LEU A 44 -6.297 -5.851 5.461 1.00 1.19 H new ATOM 0 HD11 LEU A 44 -4.342 -6.847 4.435 1.00 1.10 H new ATOM 0 HD12 LEU A 44 -5.725 -7.967 4.448 1.00 1.10 H new ATOM 0 HD13 LEU A 44 -5.262 -7.142 2.941 1.00 1.10 H new ATOM 0 HD21 LEU A 44 -4.737 -4.410 4.135 1.00 1.88 H new ATOM 0 HD22 LEU A 44 -5.747 -4.668 2.693 1.00 1.88 H new ATOM 0 HD23 LEU A 44 -6.396 -3.769 4.084 1.00 1.88 H new ATOM 223 N SER A 45 -8.067 -6.951 7.118 1.00 1.26 N ATOM 224 CA SER A 45 -7.387 -7.823 8.079 1.00 1.53 C ATOM 225 C SER A 45 -5.962 -8.208 7.601 1.00 1.41 C ATOM 226 O SER A 45 -5.748 -9.231 6.944 1.00 1.77 O ATOM 227 CB SER A 45 -8.262 -9.020 8.491 1.00 1.97 C ATOM 228 OG SER A 45 -9.586 -8.610 8.804 1.00 2.39 O ATOM 0 H SER A 45 -8.250 -6.019 7.489 1.00 1.26 H new ATOM 0 HA SER A 45 -7.236 -7.255 8.997 1.00 1.53 H new ATOM 0 HB2 SER A 45 -8.287 -9.750 7.682 1.00 1.97 H new ATOM 0 HB3 SER A 45 -7.819 -9.516 9.355 1.00 1.97 H new ATOM 0 HG SER A 45 -10.119 -9.392 9.060 1.00 2.39 H new ATOM 234 N PRO A 46 -4.963 -7.347 7.871 1.00 1.22 N ATOM 235 CA PRO A 46 -3.545 -7.589 7.589 1.00 1.06 C ATOM 236 C PRO A 46 -2.872 -8.787 8.280 1.00 1.35 C ATOM 237 O PRO A 46 -3.365 -9.341 9.258 1.00 2.03 O ATOM 238 CB PRO A 46 -2.833 -6.333 8.071 1.00 1.37 C ATOM 239 CG PRO A 46 -3.868 -5.225 7.959 1.00 1.51 C ATOM 240 CD PRO A 46 -5.152 -5.964 8.308 1.00 1.47 C ATOM 0 HA PRO A 46 -3.476 -7.823 6.527 1.00 1.06 H new ATOM 0 HB2 PRO A 46 -2.486 -6.446 9.098 1.00 1.37 H new ATOM 0 HB3 PRO A 46 -1.957 -6.117 7.460 1.00 1.37 H new ATOM 0 HG2 PRO A 46 -3.667 -4.406 8.649 1.00 1.51 H new ATOM 0 HG3 PRO A 46 -3.902 -4.797 6.957 1.00 1.51 H new ATOM 0 HD2 PRO A 46 -5.348 -5.918 9.379 1.00 1.47 H new ATOM 0 HD3 PRO A 46 -6.009 -5.512 7.808 1.00 1.47 H new ATOM 248 N GLU A 47 -1.641 -9.094 7.858 1.00 1.00 N ATOM 249 CA GLU A 47 -0.562 -9.365 8.799 1.00 0.93 C ATOM 250 C GLU A 47 0.183 -8.070 9.161 1.00 1.06 C ATOM 251 O GLU A 47 0.345 -7.772 10.340 1.00 1.36 O ATOM 252 CB GLU A 47 0.427 -10.344 8.170 1.00 0.75 C ATOM 253 CG GLU A 47 1.364 -10.915 9.235 1.00 0.82 C ATOM 254 CD GLU A 47 0.854 -12.184 9.941 1.00 1.36 C ATOM 255 OE1 GLU A 47 -0.358 -12.497 9.846 1.00 1.95 O ATOM 256 OE2 GLU A 47 1.667 -12.895 10.581 1.00 2.40 O ATOM 0 H GLU A 47 -1.373 -9.160 6.876 1.00 1.00 H new ATOM 0 HA GLU A 47 -0.993 -9.792 9.705 1.00 0.93 H new ATOM 0 HB2 GLU A 47 -0.115 -11.154 7.681 1.00 0.75 H new ATOM 0 HB3 GLU A 47 1.008 -9.838 7.399 1.00 0.75 H new ATOM 0 HG2 GLU A 47 2.324 -11.138 8.770 1.00 0.82 H new ATOM 0 HG3 GLU A 47 1.545 -10.147 9.987 1.00 0.82 H new ATOM 263 N VAL A 48 0.669 -7.318 8.163 1.00 0.92 N ATOM 264 CA VAL A 48 1.859 -6.447 8.279 1.00 0.86 C ATOM 265 C VAL A 48 1.853 -5.402 7.150 1.00 0.87 C ATOM 266 O VAL A 48 1.411 -5.702 6.038 1.00 1.35 O ATOM 267 CB VAL A 48 3.126 -7.354 8.257 1.00 1.33 C ATOM 268 CG1 VAL A 48 4.315 -6.920 7.401 1.00 1.04 C ATOM 269 CG2 VAL A 48 3.680 -7.626 9.659 1.00 3.08 C ATOM 0 H VAL A 48 0.243 -7.294 7.236 1.00 0.92 H new ATOM 0 HA VAL A 48 1.854 -5.890 9.216 1.00 0.86 H new ATOM 0 HB VAL A 48 2.705 -8.240 7.782 1.00 1.33 H new ATOM 0 HG11 VAL A 48 5.116 -7.654 7.492 1.00 1.04 H new ATOM 0 HG12 VAL A 48 4.005 -6.847 6.358 1.00 1.04 H new ATOM 0 HG13 VAL A 48 4.673 -5.948 7.742 1.00 1.04 H new ATOM 0 HG21 VAL A 48 4.562 -8.262 9.585 1.00 3.08 H new ATOM 0 HG22 VAL A 48 3.952 -6.682 10.132 1.00 3.08 H new ATOM 0 HG23 VAL A 48 2.921 -8.127 10.259 1.00 3.08 H new ATOM 279 N LEU A 49 2.310 -4.174 7.414 1.00 0.74 N ATOM 280 CA LEU A 49 2.421 -3.089 6.425 1.00 0.76 C ATOM 281 C LEU A 49 3.627 -2.186 6.733 1.00 0.77 C ATOM 282 O LEU A 49 3.696 -1.625 7.829 1.00 1.00 O ATOM 283 CB LEU A 49 1.157 -2.197 6.403 1.00 1.10 C ATOM 284 CG LEU A 49 -0.124 -2.817 5.816 1.00 1.94 C ATOM 285 CD1 LEU A 49 -1.009 -3.479 6.873 1.00 3.66 C ATOM 286 CD2 LEU A 49 -1.005 -1.734 5.187 1.00 1.64 C ATOM 0 H LEU A 49 2.622 -3.896 8.345 1.00 0.74 H new ATOM 0 HA LEU A 49 2.543 -3.571 5.455 1.00 0.76 H new ATOM 0 HB2 LEU A 49 0.945 -1.885 7.425 1.00 1.10 H new ATOM 0 HB3 LEU A 49 1.388 -1.295 5.836 1.00 1.10 H new ATOM 0 HG LEU A 49 0.227 -3.555 5.095 1.00 1.94 H new ATOM 0 HD11 LEU A 49 -1.895 -3.897 6.396 1.00 3.66 H new ATOM 0 HD12 LEU A 49 -0.453 -4.276 7.366 1.00 3.66 H new ATOM 0 HD13 LEU A 49 -1.311 -2.737 7.612 1.00 3.66 H new ATOM 0 HD21 LEU A 49 -1.906 -2.191 4.777 1.00 1.64 H new ATOM 0 HD22 LEU A 49 -1.282 -1.003 5.947 1.00 1.64 H new ATOM 0 HD23 LEU A 49 -0.455 -1.236 4.388 1.00 1.64 H new ATOM 298 N GLU A 50 4.509 -1.951 5.756 1.00 0.68 N ATOM 299 CA GLU A 50 5.655 -1.048 5.890 1.00 0.67 C ATOM 300 C GLU A 50 5.772 -0.163 4.654 1.00 0.62 C ATOM 301 O GLU A 50 5.867 -0.625 3.518 1.00 0.68 O ATOM 302 CB GLU A 50 6.972 -1.794 6.066 1.00 0.72 C ATOM 303 CG GLU A 50 7.049 -2.677 7.317 1.00 0.81 C ATOM 304 CD GLU A 50 8.476 -2.818 7.874 1.00 1.16 C ATOM 305 OE1 GLU A 50 8.635 -2.695 9.115 1.00 2.04 O ATOM 306 OE2 GLU A 50 9.441 -3.061 7.103 1.00 1.89 O ATOM 0 H GLU A 50 4.445 -2.389 4.837 1.00 0.68 H new ATOM 0 HA GLU A 50 5.474 -0.451 6.784 1.00 0.67 H new ATOM 0 HB2 GLU A 50 7.140 -2.417 5.188 1.00 0.72 H new ATOM 0 HB3 GLU A 50 7.783 -1.067 6.101 1.00 0.72 H new ATOM 0 HG2 GLU A 50 6.404 -2.258 8.090 1.00 0.81 H new ATOM 0 HG3 GLU A 50 6.659 -3.667 7.079 1.00 0.81 H new ATOM 313 N LEU A 51 5.698 1.137 4.864 1.00 0.62 N ATOM 314 CA LEU A 51 5.459 2.110 3.801 1.00 0.58 C ATOM 315 C LEU A 51 6.113 3.473 4.054 1.00 0.67 C ATOM 316 O LEU A 51 6.505 3.793 5.181 1.00 0.81 O ATOM 317 CB LEU A 51 3.943 2.163 3.536 1.00 0.64 C ATOM 318 CG LEU A 51 3.150 3.086 4.456 1.00 0.81 C ATOM 319 CD1 LEU A 51 1.666 3.049 4.112 1.00 1.22 C ATOM 320 CD2 LEU A 51 3.283 2.773 5.943 1.00 0.90 C ATOM 0 H LEU A 51 5.803 1.558 5.787 1.00 0.62 H new ATOM 0 HA LEU A 51 5.958 1.784 2.889 1.00 0.58 H new ATOM 0 HB2 LEU A 51 3.782 2.480 2.505 1.00 0.64 H new ATOM 0 HB3 LEU A 51 3.540 1.154 3.626 1.00 0.64 H new ATOM 0 HG LEU A 51 3.583 4.071 4.284 1.00 0.81 H new ATOM 0 HD11 LEU A 51 1.121 3.715 4.781 1.00 1.22 H new ATOM 0 HD12 LEU A 51 1.523 3.374 3.081 1.00 1.22 H new ATOM 0 HD13 LEU A 51 1.291 2.032 4.227 1.00 1.22 H new ATOM 0 HD21 LEU A 51 2.685 3.480 6.518 1.00 0.90 H new ATOM 0 HD22 LEU A 51 2.930 1.760 6.134 1.00 0.90 H new ATOM 0 HD23 LEU A 51 4.328 2.856 6.240 1.00 0.90 H new ATOM 332 N ARG A 52 6.204 4.293 3.003 1.00 0.67 N ATOM 333 CA ARG A 52 6.825 5.617 3.042 1.00 0.76 C ATOM 334 C ARG A 52 6.312 6.483 1.898 1.00 0.67 C ATOM 335 O ARG A 52 6.369 6.080 0.736 1.00 0.62 O ATOM 336 CB ARG A 52 8.347 5.415 2.931 1.00 0.90 C ATOM 337 CG ARG A 52 9.192 6.678 3.103 1.00 1.50 C ATOM 338 CD ARG A 52 9.024 7.306 4.488 1.00 2.77 C ATOM 339 NE ARG A 52 9.961 8.421 4.686 1.00 3.36 N ATOM 340 CZ ARG A 52 9.971 9.232 5.728 1.00 4.61 C ATOM 341 NH1 ARG A 52 9.108 9.136 6.698 1.00 5.75 N ATOM 342 NH2 ARG A 52 10.862 10.172 5.828 1.00 5.19 N ATOM 0 H ARG A 52 5.840 4.048 2.082 1.00 0.67 H new ATOM 0 HA ARG A 52 6.576 6.129 3.972 1.00 0.76 H new ATOM 0 HB2 ARG A 52 8.655 4.687 3.682 1.00 0.90 H new ATOM 0 HB3 ARG A 52 8.568 4.980 1.956 1.00 0.90 H new ATOM 0 HG2 ARG A 52 10.242 6.434 2.942 1.00 1.50 H new ATOM 0 HG3 ARG A 52 8.913 7.405 2.341 1.00 1.50 H new ATOM 0 HD2 ARG A 52 8.001 7.663 4.606 1.00 2.77 H new ATOM 0 HD3 ARG A 52 9.188 6.549 5.255 1.00 2.77 H new ATOM 0 HE ARG A 52 10.660 8.581 3.960 1.00 3.36 H new ATOM 0 HH11 ARG A 52 8.389 8.413 6.671 1.00 5.75 H new ATOM 0 HH12 ARG A 52 9.151 9.783 7.485 1.00 5.75 H new ATOM 0 HH21 ARG A 52 11.564 10.290 5.097 1.00 5.19 H new ATOM 0 HH22 ARG A 52 10.860 10.793 6.637 1.00 5.19 H new ATOM 356 N ASN A 53 5.849 7.694 2.198 1.00 0.91 N ATOM 357 CA ASN A 53 5.640 8.711 1.166 1.00 0.81 C ATOM 358 C ASN A 53 6.939 9.507 0.921 1.00 0.98 C ATOM 359 O ASN A 53 7.585 9.967 1.868 1.00 1.46 O ATOM 360 CB ASN A 53 4.358 9.517 1.448 1.00 1.06 C ATOM 361 CG ASN A 53 4.600 11.003 1.612 1.00 1.41 C ATOM 362 OD1 ASN A 53 4.914 11.711 0.665 1.00 2.45 O ATOM 363 ND2 ASN A 53 4.528 11.510 2.812 1.00 0.92 N ATOM 0 H ASN A 53 5.612 7.996 3.143 1.00 0.91 H new ATOM 0 HA ASN A 53 5.438 8.254 0.198 1.00 0.81 H new ATOM 0 HB2 ASN A 53 3.653 9.360 0.631 1.00 1.06 H new ATOM 0 HB3 ASN A 53 3.888 9.132 2.353 1.00 1.06 H new ATOM 0 HD21 ASN A 53 4.734 12.498 2.961 1.00 0.92 H new ATOM 0 HD22 ASN A 53 4.266 10.919 3.601 1.00 0.92 H new ATOM 370 N GLU A 54 7.322 9.650 -0.350 1.00 0.89 N ATOM 371 CA GLU A 54 8.625 10.161 -0.818 1.00 1.25 C ATOM 372 C GLU A 54 8.575 11.592 -1.388 1.00 1.06 C ATOM 373 O GLU A 54 9.589 12.113 -1.857 1.00 1.12 O ATOM 374 CB GLU A 54 9.233 9.172 -1.828 1.00 1.60 C ATOM 375 CG GLU A 54 8.508 9.149 -3.183 1.00 1.87 C ATOM 376 CD GLU A 54 9.235 8.246 -4.179 1.00 2.28 C ATOM 377 OE1 GLU A 54 10.233 8.704 -4.787 1.00 2.94 O ATOM 378 OE2 GLU A 54 8.821 7.072 -4.339 1.00 3.16 O ATOM 0 H GLU A 54 6.705 9.402 -1.124 1.00 0.89 H new ATOM 0 HA GLU A 54 9.268 10.236 0.059 1.00 1.25 H new ATOM 0 HB2 GLU A 54 10.280 9.430 -1.990 1.00 1.60 H new ATOM 0 HB3 GLU A 54 9.214 8.170 -1.399 1.00 1.60 H new ATOM 0 HG2 GLU A 54 7.486 8.796 -3.046 1.00 1.87 H new ATOM 0 HG3 GLU A 54 8.445 10.161 -3.583 1.00 1.87 H new ATOM 385 N SER A 55 7.392 12.215 -1.382 1.00 0.85 N ATOM 386 CA SER A 55 7.093 13.535 -1.956 1.00 0.74 C ATOM 387 C SER A 55 7.940 14.719 -1.467 1.00 0.89 C ATOM 388 O SER A 55 7.934 15.781 -2.086 1.00 1.04 O ATOM 389 CB SER A 55 5.616 13.807 -1.771 1.00 0.71 C ATOM 390 OG SER A 55 5.299 14.074 -0.426 1.00 1.53 O ATOM 0 H SER A 55 6.570 11.790 -0.953 1.00 0.85 H new ATOM 0 HA SER A 55 7.373 13.468 -3.007 1.00 0.74 H new ATOM 0 HB2 SER A 55 5.322 14.655 -2.389 1.00 0.71 H new ATOM 0 HB3 SER A 55 5.042 12.947 -2.116 1.00 0.71 H new ATOM 0 HG SER A 55 5.062 13.238 0.027 1.00 1.53 H new ATOM 396 N GLY A 56 8.743 14.528 -0.423 1.00 1.00 N ATOM 397 CA GLY A 56 9.802 15.461 -0.014 1.00 1.17 C ATOM 398 C GLY A 56 10.936 15.603 -1.043 1.00 1.25 C ATOM 399 O GLY A 56 11.651 16.607 -1.025 1.00 1.43 O ATOM 0 H GLY A 56 8.678 13.706 0.177 1.00 1.00 H new ATOM 0 HA2 GLY A 56 9.361 16.442 0.164 1.00 1.17 H new ATOM 0 HA3 GLY A 56 10.224 15.125 0.933 1.00 1.17 H new ATOM 403 N GLY A 57 11.042 14.693 -2.016 1.00 1.20 N ATOM 404 CA GLY A 57 11.937 14.811 -3.177 1.00 1.38 C ATOM 405 C GLY A 57 11.401 15.661 -4.340 1.00 1.46 C ATOM 406 O GLY A 57 12.031 15.685 -5.400 1.00 2.32 O ATOM 0 H GLY A 57 10.495 13.832 -2.021 1.00 1.20 H new ATOM 0 HA2 GLY A 57 12.883 15.238 -2.843 1.00 1.38 H new ATOM 0 HA3 GLY A 57 12.153 13.810 -3.551 1.00 1.38 H new ATOM 410 N HIS A 58 10.239 16.312 -4.182 1.00 1.31 N ATOM 411 CA HIS A 58 9.467 16.922 -5.276 1.00 1.27 C ATOM 412 C HIS A 58 9.070 18.378 -4.989 1.00 1.37 C ATOM 413 O HIS A 58 9.008 18.817 -3.833 1.00 1.92 O ATOM 414 CB HIS A 58 8.254 16.017 -5.588 1.00 1.12 C ATOM 415 CG HIS A 58 8.733 14.662 -6.072 1.00 1.29 C ATOM 416 ND1 HIS A 58 9.255 14.384 -7.316 1.00 1.67 N ATOM 417 CD2 HIS A 58 9.006 13.571 -5.290 1.00 1.32 C ATOM 418 CE1 HIS A 58 9.829 13.171 -7.279 1.00 1.92 C ATOM 419 NE2 HIS A 58 9.707 12.630 -6.053 1.00 1.72 N ATOM 0 H HIS A 58 9.799 16.432 -3.269 1.00 1.31 H new ATOM 0 HA HIS A 58 10.098 16.986 -6.162 1.00 1.27 H new ATOM 0 HB2 HIS A 58 7.639 15.898 -4.696 1.00 1.12 H new ATOM 0 HB3 HIS A 58 7.627 16.484 -6.348 1.00 1.12 H new ATOM 0 HD2 HIS A 58 8.726 13.456 -4.253 1.00 1.32 H new ATOM 0 HE1 HIS A 58 10.320 12.696 -8.116 1.00 1.92 H new ATOM 0 HE2 HIS A 58 10.054 11.722 -5.744 1.00 1.72 H new ATOM 427 N ALA A 59 8.806 19.142 -6.053 1.00 1.74 N ATOM 428 CA ALA A 59 8.252 20.491 -5.981 1.00 2.04 C ATOM 429 C ALA A 59 6.747 20.377 -5.713 1.00 1.90 C ATOM 430 O ALA A 59 5.961 20.079 -6.619 1.00 2.72 O ATOM 431 CB ALA A 59 8.565 21.238 -7.284 1.00 2.50 C ATOM 0 H ALA A 59 8.977 18.830 -7.009 1.00 1.74 H new ATOM 0 HA ALA A 59 8.699 21.065 -5.169 1.00 2.04 H new ATOM 0 HB1 ALA A 59 8.153 22.246 -7.234 1.00 2.50 H new ATOM 0 HB2 ALA A 59 9.645 21.294 -7.421 1.00 2.50 H new ATOM 0 HB3 ALA A 59 8.120 20.706 -8.125 1.00 2.50 H new ATOM 437 N VAL A 60 6.357 20.511 -4.447 1.00 1.58 N ATOM 438 CA VAL A 60 4.981 20.327 -3.958 1.00 1.35 C ATOM 439 C VAL A 60 4.701 21.317 -2.812 1.00 1.48 C ATOM 440 O VAL A 60 5.647 21.691 -2.104 1.00 1.68 O ATOM 441 CB VAL A 60 4.715 18.860 -3.527 1.00 1.08 C ATOM 442 CG1 VAL A 60 4.943 17.854 -4.658 1.00 1.18 C ATOM 443 CG2 VAL A 60 5.524 18.379 -2.319 1.00 1.18 C ATOM 0 H VAL A 60 7.009 20.759 -3.703 1.00 1.58 H new ATOM 0 HA VAL A 60 4.291 20.537 -4.776 1.00 1.35 H new ATOM 0 HB VAL A 60 3.663 18.892 -3.245 1.00 1.08 H new ATOM 0 HG11 VAL A 60 4.741 16.846 -4.295 1.00 1.18 H new ATOM 0 HG12 VAL A 60 4.274 18.082 -5.488 1.00 1.18 H new ATOM 0 HG13 VAL A 60 5.977 17.917 -4.998 1.00 1.18 H new ATOM 0 HG21 VAL A 60 5.266 17.343 -2.098 1.00 1.18 H new ATOM 0 HG22 VAL A 60 6.588 18.448 -2.543 1.00 1.18 H new ATOM 0 HG23 VAL A 60 5.294 19.003 -1.455 1.00 1.18 H new ATOM 453 N PRO A 61 3.451 21.765 -2.586 1.00 1.54 N ATOM 454 CA PRO A 61 3.117 22.641 -1.456 1.00 1.73 C ATOM 455 C PRO A 61 3.511 22.019 -0.103 1.00 1.67 C ATOM 456 O PRO A 61 3.353 20.807 0.060 1.00 1.56 O ATOM 457 CB PRO A 61 1.612 22.902 -1.555 1.00 1.96 C ATOM 458 CG PRO A 61 1.308 22.682 -3.035 1.00 1.79 C ATOM 459 CD PRO A 61 2.293 21.592 -3.452 1.00 1.58 C ATOM 0 HA PRO A 61 3.679 23.574 -1.506 1.00 1.73 H new ATOM 0 HB2 PRO A 61 1.044 22.219 -0.923 1.00 1.96 H new ATOM 0 HB3 PRO A 61 1.359 23.914 -1.239 1.00 1.96 H new ATOM 0 HG2 PRO A 61 0.276 22.368 -3.189 1.00 1.79 H new ATOM 0 HG3 PRO A 61 1.453 23.595 -3.613 1.00 1.79 H new ATOM 0 HD2 PRO A 61 1.856 20.601 -3.331 1.00 1.58 H new ATOM 0 HD3 PRO A 61 2.569 21.693 -4.502 1.00 1.58 H new ATOM 467 N PRO A 62 4.031 22.784 0.872 1.00 1.85 N ATOM 468 CA PRO A 62 4.593 22.222 2.102 1.00 2.00 C ATOM 469 C PRO A 62 3.514 21.537 2.954 1.00 2.05 C ATOM 470 O PRO A 62 2.523 22.151 3.358 1.00 2.29 O ATOM 471 CB PRO A 62 5.260 23.401 2.813 1.00 2.36 C ATOM 472 CG PRO A 62 4.459 24.606 2.328 1.00 2.27 C ATOM 473 CD PRO A 62 4.142 24.235 0.881 1.00 2.08 C ATOM 0 HA PRO A 62 5.318 21.433 1.902 1.00 2.00 H new ATOM 0 HB2 PRO A 62 5.211 23.296 3.897 1.00 2.36 H new ATOM 0 HB3 PRO A 62 6.314 23.486 2.548 1.00 2.36 H new ATOM 0 HG2 PRO A 62 3.553 24.754 2.916 1.00 2.27 H new ATOM 0 HG3 PRO A 62 5.036 25.529 2.393 1.00 2.27 H new ATOM 0 HD2 PRO A 62 3.215 24.702 0.549 1.00 2.08 H new ATOM 0 HD3 PRO A 62 4.929 24.573 0.207 1.00 2.08 H new ATOM 481 N GLY A 63 3.686 20.241 3.215 1.00 2.09 N ATOM 482 CA GLY A 63 2.664 19.375 3.810 1.00 2.20 C ATOM 483 C GLY A 63 1.855 18.544 2.805 1.00 1.82 C ATOM 484 O GLY A 63 0.917 17.847 3.203 1.00 1.89 O ATOM 0 H GLY A 63 4.558 19.752 3.015 1.00 2.09 H new ATOM 0 HA2 GLY A 63 3.148 18.697 4.513 1.00 2.20 H new ATOM 0 HA3 GLY A 63 1.975 19.993 4.386 1.00 2.20 H new ATOM 488 N SER A 64 2.201 18.602 1.517 1.00 1.50 N ATOM 489 CA SER A 64 1.706 17.703 0.481 1.00 1.22 C ATOM 490 C SER A 64 2.367 16.329 0.582 1.00 1.05 C ATOM 491 O SER A 64 3.488 16.167 1.070 1.00 1.38 O ATOM 492 CB SER A 64 1.933 18.281 -0.916 1.00 1.15 C ATOM 493 OG SER A 64 1.217 19.489 -1.053 1.00 1.89 O ATOM 0 H SER A 64 2.854 19.299 1.159 1.00 1.50 H new ATOM 0 HA SER A 64 0.634 17.592 0.641 1.00 1.22 H new ATOM 0 HB2 SER A 64 2.996 18.457 -1.079 1.00 1.15 H new ATOM 0 HB3 SER A 64 1.608 17.567 -1.673 1.00 1.15 H new ATOM 0 HG SER A 64 1.745 20.226 -0.682 1.00 1.89 H new ATOM 499 N GLU A 65 1.630 15.339 0.107 1.00 0.87 N ATOM 500 CA GLU A 65 1.911 13.908 0.230 1.00 0.81 C ATOM 501 C GLU A 65 1.537 13.217 -1.097 1.00 0.76 C ATOM 502 O GLU A 65 0.601 12.420 -1.164 1.00 0.96 O ATOM 503 CB GLU A 65 1.132 13.330 1.430 1.00 1.03 C ATOM 504 CG GLU A 65 1.460 13.965 2.793 1.00 1.16 C ATOM 505 CD GLU A 65 0.400 13.617 3.842 1.00 1.48 C ATOM 506 OE1 GLU A 65 -0.786 13.979 3.633 1.00 2.58 O ATOM 507 OE2 GLU A 65 0.751 13.027 4.891 1.00 1.92 O ATOM 0 H GLU A 65 0.767 15.518 -0.406 1.00 0.87 H new ATOM 0 HA GLU A 65 2.970 13.733 0.418 1.00 0.81 H new ATOM 0 HB2 GLU A 65 0.065 13.447 1.240 1.00 1.03 H new ATOM 0 HB3 GLU A 65 1.330 12.260 1.489 1.00 1.03 H new ATOM 0 HG2 GLU A 65 2.436 13.619 3.132 1.00 1.16 H new ATOM 0 HG3 GLU A 65 1.526 15.048 2.685 1.00 1.16 H new ATOM 514 N THR A 66 2.195 13.595 -2.198 1.00 0.67 N ATOM 515 CA THR A 66 1.763 13.272 -3.573 1.00 0.73 C ATOM 516 C THR A 66 2.259 11.906 -4.064 1.00 0.69 C ATOM 517 O THR A 66 1.859 11.439 -5.130 1.00 0.91 O ATOM 518 CB THR A 66 2.272 14.349 -4.552 1.00 0.82 C ATOM 519 OG1 THR A 66 3.677 14.301 -4.629 1.00 1.20 O ATOM 520 CG2 THR A 66 1.935 15.785 -4.162 1.00 0.90 C ATOM 0 H THR A 66 3.055 14.142 -2.165 1.00 0.67 H new ATOM 0 HA THR A 66 0.674 13.241 -3.545 1.00 0.73 H new ATOM 0 HB THR A 66 1.770 14.115 -5.491 1.00 0.82 H new ATOM 0 HG1 THR A 66 3.994 14.986 -5.254 1.00 1.20 H new ATOM 0 HG21 THR A 66 2.335 16.469 -4.911 1.00 0.90 H new ATOM 0 HG22 THR A 66 0.853 15.902 -4.104 1.00 0.90 H new ATOM 0 HG23 THR A 66 2.377 16.012 -3.192 1.00 0.90 H new ATOM 528 N HIS A 67 3.200 11.304 -3.337 1.00 0.54 N ATOM 529 CA HIS A 67 4.189 10.389 -3.899 1.00 0.57 C ATOM 530 C HIS A 67 4.478 9.244 -2.931 1.00 0.49 C ATOM 531 O HIS A 67 4.871 9.518 -1.797 1.00 0.47 O ATOM 532 CB HIS A 67 5.452 11.223 -4.160 1.00 0.71 C ATOM 533 CG HIS A 67 6.000 11.069 -5.540 1.00 1.04 C ATOM 534 ND1 HIS A 67 7.270 10.731 -5.936 1.00 1.41 N ATOM 535 CD2 HIS A 67 5.300 11.417 -6.652 1.00 1.12 C ATOM 536 CE1 HIS A 67 7.332 10.857 -7.269 1.00 1.65 C ATOM 537 NE2 HIS A 67 6.149 11.271 -7.761 1.00 1.48 N ATOM 0 H HIS A 67 3.297 11.440 -2.331 1.00 0.54 H new ATOM 0 HA HIS A 67 3.826 9.933 -4.820 1.00 0.57 H new ATOM 0 HB2 HIS A 67 5.225 12.274 -3.984 1.00 0.71 H new ATOM 0 HB3 HIS A 67 6.219 10.938 -3.440 1.00 0.71 H new ATOM 0 HD2 HIS A 67 4.272 11.747 -6.678 1.00 1.12 H new ATOM 0 HE1 HIS A 67 8.209 10.655 -7.866 1.00 1.65 H new ATOM 0 HE2 HIS A 67 5.917 11.443 -8.739 1.00 1.48 H new ATOM 545 N PHE A 68 4.320 7.984 -3.347 1.00 0.61 N ATOM 546 CA PHE A 68 4.159 6.889 -2.382 1.00 0.61 C ATOM 547 C PHE A 68 4.913 5.588 -2.732 1.00 0.71 C ATOM 548 O PHE A 68 5.054 5.227 -3.903 1.00 0.97 O ATOM 549 CB PHE A 68 2.638 6.648 -2.203 1.00 0.90 C ATOM 550 CG PHE A 68 2.097 6.210 -0.846 1.00 1.02 C ATOM 551 CD1 PHE A 68 0.728 5.892 -0.753 1.00 2.59 C ATOM 552 CD2 PHE A 68 2.878 6.211 0.330 1.00 1.90 C ATOM 553 CE1 PHE A 68 0.143 5.610 0.493 1.00 2.96 C ATOM 554 CE2 PHE A 68 2.297 5.929 1.577 1.00 1.99 C ATOM 555 CZ PHE A 68 0.926 5.644 1.660 1.00 1.85 C ATOM 0 H PHE A 68 4.300 7.699 -4.326 1.00 0.61 H new ATOM 0 HA PHE A 68 4.626 7.196 -1.446 1.00 0.61 H new ATOM 0 HB2 PHE A 68 2.128 7.572 -2.474 1.00 0.90 H new ATOM 0 HB3 PHE A 68 2.340 5.894 -2.931 1.00 0.90 H new ATOM 0 HD1 PHE A 68 0.123 5.865 -1.647 1.00 2.59 H new ATOM 0 HD2 PHE A 68 3.934 6.431 0.270 1.00 1.90 H new ATOM 0 HE1 PHE A 68 -0.908 5.367 0.554 1.00 2.96 H new ATOM 0 HE2 PHE A 68 2.904 5.932 2.470 1.00 1.99 H new ATOM 0 HZ PHE A 68 0.472 5.451 2.621 1.00 1.85 H new ATOM 565 N ARG A 69 5.358 4.856 -1.704 1.00 0.62 N ATOM 566 CA ARG A 69 5.851 3.468 -1.757 1.00 0.60 C ATOM 567 C ARG A 69 5.219 2.674 -0.606 1.00 0.51 C ATOM 568 O ARG A 69 5.234 3.147 0.531 1.00 0.55 O ATOM 569 CB ARG A 69 7.396 3.447 -1.662 1.00 0.66 C ATOM 570 CG ARG A 69 8.096 2.870 -2.904 1.00 1.10 C ATOM 571 CD ARG A 69 7.987 3.782 -4.131 1.00 1.87 C ATOM 572 NE ARG A 69 8.766 3.256 -5.263 1.00 2.62 N ATOM 573 CZ ARG A 69 9.205 3.904 -6.322 1.00 3.87 C ATOM 574 NH1 ARG A 69 9.277 5.201 -6.378 1.00 4.96 N ATOM 575 NH2 ARG A 69 9.565 3.226 -7.371 1.00 4.81 N ATOM 0 H ARG A 69 5.387 5.235 -0.757 1.00 0.62 H new ATOM 0 HA ARG A 69 5.570 3.009 -2.705 1.00 0.60 H new ATOM 0 HB2 ARG A 69 7.753 4.464 -1.497 1.00 0.66 H new ATOM 0 HB3 ARG A 69 7.687 2.862 -0.790 1.00 0.66 H new ATOM 0 HG2 ARG A 69 9.148 2.702 -2.676 1.00 1.10 H new ATOM 0 HG3 ARG A 69 7.662 1.899 -3.141 1.00 1.10 H new ATOM 0 HD2 ARG A 69 6.941 3.880 -4.422 1.00 1.87 H new ATOM 0 HD3 ARG A 69 8.342 4.781 -3.876 1.00 1.87 H new ATOM 0 HE ARG A 69 8.995 2.263 -5.222 1.00 2.62 H new ATOM 0 HH11 ARG A 69 8.986 5.763 -5.578 1.00 4.96 H new ATOM 0 HH12 ARG A 69 9.624 5.657 -7.222 1.00 4.96 H new ATOM 0 HH21 ARG A 69 9.505 2.208 -7.365 1.00 4.81 H new ATOM 0 HH22 ARG A 69 9.907 3.712 -8.200 1.00 4.81 H new ATOM 589 N VAL A 70 4.654 1.493 -0.877 1.00 0.52 N ATOM 590 CA VAL A 70 3.991 0.647 0.138 1.00 0.49 C ATOM 591 C VAL A 70 4.369 -0.825 -0.008 1.00 0.49 C ATOM 592 O VAL A 70 4.250 -1.399 -1.090 1.00 0.56 O ATOM 593 CB VAL A 70 2.448 0.761 0.099 1.00 0.59 C ATOM 594 CG1 VAL A 70 1.803 0.233 1.396 1.00 0.71 C ATOM 595 CG2 VAL A 70 1.927 2.189 -0.124 1.00 0.69 C ATOM 0 H VAL A 70 4.640 1.088 -1.813 1.00 0.52 H new ATOM 0 HA VAL A 70 4.348 1.025 1.096 1.00 0.49 H new ATOM 0 HB VAL A 70 2.163 0.151 -0.758 1.00 0.59 H new ATOM 0 HG11 VAL A 70 0.719 0.330 1.329 1.00 0.71 H new ATOM 0 HG12 VAL A 70 2.065 -0.816 1.532 1.00 0.71 H new ATOM 0 HG13 VAL A 70 2.168 0.811 2.245 1.00 0.71 H new ATOM 0 HG21 VAL A 70 0.837 2.181 -0.138 1.00 0.69 H new ATOM 0 HG22 VAL A 70 2.274 2.833 0.684 1.00 0.69 H new ATOM 0 HG23 VAL A 70 2.299 2.568 -1.076 1.00 0.69 H new ATOM 605 N ALA A 71 4.712 -1.457 1.113 1.00 0.50 N ATOM 606 CA ALA A 71 4.772 -2.915 1.237 1.00 0.51 C ATOM 607 C ALA A 71 3.586 -3.392 2.087 1.00 0.57 C ATOM 608 O ALA A 71 3.363 -2.865 3.180 1.00 0.63 O ATOM 609 CB ALA A 71 6.120 -3.346 1.834 1.00 0.56 C ATOM 0 H ALA A 71 4.959 -0.966 1.972 1.00 0.50 H new ATOM 0 HA ALA A 71 4.699 -3.379 0.253 1.00 0.51 H new ATOM 0 HB1 ALA A 71 6.149 -4.432 1.920 1.00 0.56 H new ATOM 0 HB2 ALA A 71 6.929 -3.011 1.185 1.00 0.56 H new ATOM 0 HB3 ALA A 71 6.240 -2.901 2.822 1.00 0.56 H new ATOM 615 N VAL A 72 2.825 -4.374 1.597 1.00 0.59 N ATOM 616 CA VAL A 72 1.659 -4.934 2.301 1.00 0.59 C ATOM 617 C VAL A 72 1.720 -6.459 2.377 1.00 0.55 C ATOM 618 O VAL A 72 2.066 -7.133 1.405 1.00 0.62 O ATOM 619 CB VAL A 72 0.315 -4.463 1.702 1.00 0.66 C ATOM 620 CG1 VAL A 72 0.183 -2.940 1.771 1.00 1.32 C ATOM 621 CG2 VAL A 72 0.076 -4.874 0.242 1.00 1.63 C ATOM 0 H VAL A 72 2.999 -4.810 0.691 1.00 0.59 H new ATOM 0 HA VAL A 72 1.707 -4.544 3.318 1.00 0.59 H new ATOM 0 HB VAL A 72 -0.431 -4.965 2.318 1.00 0.66 H new ATOM 0 HG11 VAL A 72 -0.773 -2.638 1.342 1.00 1.32 H new ATOM 0 HG12 VAL A 72 0.232 -2.617 2.811 1.00 1.32 H new ATOM 0 HG13 VAL A 72 0.995 -2.479 1.209 1.00 1.32 H new ATOM 0 HG21 VAL A 72 -0.892 -4.498 -0.088 1.00 1.63 H new ATOM 0 HG22 VAL A 72 0.862 -4.456 -0.387 1.00 1.63 H new ATOM 0 HG23 VAL A 72 0.089 -5.961 0.163 1.00 1.63 H new ATOM 631 N VAL A 73 1.365 -7.018 3.533 1.00 0.55 N ATOM 632 CA VAL A 73 1.459 -8.454 3.817 1.00 0.51 C ATOM 633 C VAL A 73 0.179 -8.938 4.491 1.00 0.55 C ATOM 634 O VAL A 73 -0.248 -8.353 5.492 1.00 0.67 O ATOM 635 CB VAL A 73 2.667 -8.766 4.717 1.00 0.77 C ATOM 636 CG1 VAL A 73 2.880 -10.275 4.894 1.00 0.90 C ATOM 637 CG2 VAL A 73 3.973 -8.178 4.172 1.00 1.52 C ATOM 0 H VAL A 73 0.996 -6.477 4.315 1.00 0.55 H new ATOM 0 HA VAL A 73 1.593 -8.976 2.869 1.00 0.51 H new ATOM 0 HB VAL A 73 2.428 -8.305 5.675 1.00 0.77 H new ATOM 0 HG11 VAL A 73 3.743 -10.448 5.537 1.00 0.90 H new ATOM 0 HG12 VAL A 73 1.994 -10.716 5.350 1.00 0.90 H new ATOM 0 HG13 VAL A 73 3.054 -10.734 3.921 1.00 0.90 H new ATOM 0 HG21 VAL A 73 4.793 -8.428 4.845 1.00 1.52 H new ATOM 0 HG22 VAL A 73 4.175 -8.593 3.185 1.00 1.52 H new ATOM 0 HG23 VAL A 73 3.881 -7.094 4.098 1.00 1.52 H new ATOM 647 N SER A 74 -0.427 -10.018 3.990 1.00 0.55 N ATOM 648 CA SER A 74 -1.534 -10.690 4.705 1.00 0.62 C ATOM 649 C SER A 74 -1.732 -12.134 4.245 1.00 0.67 C ATOM 650 O SER A 74 -1.506 -12.460 3.080 1.00 0.68 O ATOM 651 CB SER A 74 -2.845 -9.888 4.585 1.00 0.84 C ATOM 652 OG SER A 74 -3.897 -10.584 5.238 1.00 1.06 O ATOM 0 H SER A 74 -0.178 -10.449 3.100 1.00 0.55 H new ATOM 0 HA SER A 74 -1.251 -10.726 5.757 1.00 0.62 H new ATOM 0 HB2 SER A 74 -2.720 -8.900 5.029 1.00 0.84 H new ATOM 0 HB3 SER A 74 -3.094 -9.736 3.535 1.00 0.84 H new ATOM 0 HG SER A 74 -4.421 -9.955 5.776 1.00 1.06 H new ATOM 658 N SER A 75 -2.197 -13.008 5.145 1.00 0.81 N ATOM 659 CA SER A 75 -2.604 -14.378 4.789 1.00 0.96 C ATOM 660 C SER A 75 -3.861 -14.410 3.905 1.00 1.06 C ATOM 661 O SER A 75 -4.118 -15.397 3.214 1.00 1.19 O ATOM 662 CB SER A 75 -2.813 -15.216 6.050 1.00 1.23 C ATOM 663 OG SER A 75 -3.880 -14.717 6.832 1.00 1.53 O ATOM 0 H SER A 75 -2.303 -12.790 6.136 1.00 0.81 H new ATOM 0 HA SER A 75 -1.794 -14.809 4.202 1.00 0.96 H new ATOM 0 HB2 SER A 75 -3.017 -16.250 5.772 1.00 1.23 H new ATOM 0 HB3 SER A 75 -1.898 -15.220 6.642 1.00 1.23 H new ATOM 0 HG SER A 75 -3.990 -15.275 7.630 1.00 1.53 H new ATOM 669 N ARG A 76 -4.600 -13.291 3.833 1.00 1.10 N ATOM 670 CA ARG A 76 -5.720 -13.069 2.902 1.00 1.21 C ATOM 671 C ARG A 76 -5.307 -13.113 1.418 1.00 1.19 C ATOM 672 O ARG A 76 -6.170 -13.241 0.546 1.00 1.31 O ATOM 673 CB ARG A 76 -6.411 -11.753 3.293 1.00 1.30 C ATOM 674 CG ARG A 76 -7.860 -11.701 2.787 1.00 1.50 C ATOM 675 CD ARG A 76 -8.686 -10.712 3.611 1.00 1.44 C ATOM 676 NE ARG A 76 -10.122 -10.968 3.437 1.00 2.29 N ATOM 677 CZ ARG A 76 -11.145 -10.304 3.929 1.00 2.75 C ATOM 678 NH1 ARG A 76 -11.020 -9.222 4.638 1.00 3.21 N ATOM 679 NH2 ARG A 76 -12.334 -10.765 3.709 1.00 3.72 N ATOM 0 H ARG A 76 -4.429 -12.490 4.441 1.00 1.10 H new ATOM 0 HA ARG A 76 -6.426 -13.895 2.995 1.00 1.21 H new ATOM 0 HB2 ARG A 76 -6.400 -11.644 4.378 1.00 1.30 H new ATOM 0 HB3 ARG A 76 -5.852 -10.912 2.883 1.00 1.30 H new ATOM 0 HG2 ARG A 76 -7.873 -11.408 1.737 1.00 1.50 H new ATOM 0 HG3 ARG A 76 -8.307 -12.693 2.846 1.00 1.50 H new ATOM 0 HD2 ARG A 76 -8.421 -10.798 4.665 1.00 1.44 H new ATOM 0 HD3 ARG A 76 -8.453 -9.692 3.305 1.00 1.44 H new ATOM 0 HE ARG A 76 -10.358 -11.771 2.854 1.00 2.29 H new ATOM 0 HH11 ARG A 76 -10.093 -8.847 4.838 1.00 3.21 H new ATOM 0 HH12 ARG A 76 -11.849 -8.747 4.995 1.00 3.21 H new ATOM 0 HH21 ARG A 76 -12.457 -11.621 3.167 1.00 3.72 H new ATOM 0 HH22 ARG A 76 -13.148 -10.273 4.077 1.00 3.72 H new ATOM 693 N PHE A 77 -4.004 -13.029 1.128 1.00 1.11 N ATOM 694 CA PHE A 77 -3.401 -13.045 -0.205 1.00 1.16 C ATOM 695 C PHE A 77 -2.808 -14.415 -0.613 1.00 1.21 C ATOM 696 O PHE A 77 -1.959 -14.472 -1.501 1.00 1.26 O ATOM 697 CB PHE A 77 -2.325 -11.943 -0.250 1.00 1.05 C ATOM 698 CG PHE A 77 -2.701 -10.511 0.115 1.00 1.05 C ATOM 699 CD1 PHE A 77 -1.672 -9.627 0.487 1.00 1.54 C ATOM 700 CD2 PHE A 77 -4.026 -10.031 0.053 1.00 1.91 C ATOM 701 CE1 PHE A 77 -1.953 -8.288 0.803 1.00 1.58 C ATOM 702 CE2 PHE A 77 -4.311 -8.688 0.359 1.00 1.95 C ATOM 703 CZ PHE A 77 -3.273 -7.814 0.727 1.00 1.17 C ATOM 0 H PHE A 77 -3.302 -12.943 1.863 1.00 1.11 H new ATOM 0 HA PHE A 77 -4.190 -12.857 -0.934 1.00 1.16 H new ATOM 0 HB2 PHE A 77 -1.517 -12.248 0.415 1.00 1.05 H new ATOM 0 HB3 PHE A 77 -1.917 -11.926 -1.261 1.00 1.05 H new ATOM 0 HD1 PHE A 77 -0.653 -9.983 0.530 1.00 1.54 H new ATOM 0 HD2 PHE A 77 -4.826 -10.698 -0.231 1.00 1.91 H new ATOM 0 HE1 PHE A 77 -1.156 -7.624 1.104 1.00 1.58 H new ATOM 0 HE2 PHE A 77 -5.328 -8.328 0.311 1.00 1.95 H new ATOM 0 HZ PHE A 77 -3.490 -6.780 0.951 1.00 1.17 H new ATOM 713 N GLU A 78 -3.175 -15.527 0.033 1.00 1.27 N ATOM 714 CA GLU A 78 -2.551 -16.828 -0.236 1.00 1.33 C ATOM 715 C GLU A 78 -2.982 -17.498 -1.559 1.00 1.39 C ATOM 716 O GLU A 78 -4.161 -17.524 -1.927 1.00 1.58 O ATOM 717 CB GLU A 78 -2.700 -17.738 0.990 1.00 1.51 C ATOM 718 CG GLU A 78 -4.124 -18.220 1.301 1.00 1.77 C ATOM 719 CD GLU A 78 -4.235 -18.951 2.649 1.00 2.00 C ATOM 720 OE1 GLU A 78 -5.383 -19.272 3.047 1.00 3.16 O ATOM 721 OE2 GLU A 78 -3.209 -19.215 3.328 1.00 1.80 O ATOM 0 H GLU A 78 -3.903 -15.552 0.747 1.00 1.27 H new ATOM 0 HA GLU A 78 -1.490 -16.642 -0.403 1.00 1.33 H new ATOM 0 HB2 GLU A 78 -2.065 -18.612 0.848 1.00 1.51 H new ATOM 0 HB3 GLU A 78 -2.319 -17.205 1.862 1.00 1.51 H new ATOM 0 HG2 GLU A 78 -4.798 -17.364 1.303 1.00 1.77 H new ATOM 0 HG3 GLU A 78 -4.457 -18.886 0.505 1.00 1.77 H new ATOM 728 N GLY A 79 -2.011 -18.071 -2.275 1.00 1.56 N ATOM 729 CA GLY A 79 -2.197 -18.976 -3.419 1.00 2.00 C ATOM 730 C GLY A 79 -2.565 -18.332 -4.762 1.00 1.80 C ATOM 731 O GLY A 79 -2.564 -19.024 -5.784 1.00 2.51 O ATOM 0 H GLY A 79 -1.026 -17.911 -2.065 1.00 1.56 H new ATOM 0 HA2 GLY A 79 -1.276 -19.543 -3.556 1.00 2.00 H new ATOM 0 HA3 GLY A 79 -2.977 -19.692 -3.161 1.00 2.00 H new ATOM 735 N LEU A 80 -2.872 -17.036 -4.789 1.00 1.16 N ATOM 736 CA LEU A 80 -3.175 -16.272 -5.996 1.00 1.12 C ATOM 737 C LEU A 80 -1.911 -15.963 -6.830 1.00 0.93 C ATOM 738 O LEU A 80 -0.779 -16.264 -6.449 1.00 1.10 O ATOM 739 CB LEU A 80 -3.985 -15.019 -5.604 1.00 1.28 C ATOM 740 CG LEU A 80 -3.539 -14.176 -4.422 1.00 1.54 C ATOM 741 CD1 LEU A 80 -2.078 -13.732 -4.485 1.00 2.22 C ATOM 742 CD2 LEU A 80 -4.452 -12.959 -4.289 1.00 1.87 C ATOM 0 H LEU A 80 -2.918 -16.470 -3.941 1.00 1.16 H new ATOM 0 HA LEU A 80 -3.792 -16.875 -6.663 1.00 1.12 H new ATOM 0 HB2 LEU A 80 -4.018 -14.366 -6.476 1.00 1.28 H new ATOM 0 HB3 LEU A 80 -5.008 -15.340 -5.408 1.00 1.28 H new ATOM 0 HG LEU A 80 -3.616 -14.815 -3.543 1.00 1.54 H new ATOM 0 HD11 LEU A 80 -1.841 -13.135 -3.604 1.00 2.22 H new ATOM 0 HD12 LEU A 80 -1.432 -14.609 -4.513 1.00 2.22 H new ATOM 0 HD13 LEU A 80 -1.918 -13.134 -5.382 1.00 2.22 H new ATOM 0 HD21 LEU A 80 -4.131 -12.355 -3.441 1.00 1.87 H new ATOM 0 HD22 LEU A 80 -4.399 -12.363 -5.200 1.00 1.87 H new ATOM 0 HD23 LEU A 80 -5.479 -13.290 -4.131 1.00 1.87 H new ATOM 754 N SER A 81 -2.113 -15.342 -7.989 1.00 0.92 N ATOM 755 CA SER A 81 -1.045 -14.673 -8.737 1.00 0.96 C ATOM 756 C SER A 81 -0.763 -13.281 -8.142 1.00 1.01 C ATOM 757 O SER A 81 -1.716 -12.550 -7.849 1.00 0.99 O ATOM 758 CB SER A 81 -1.444 -14.615 -10.213 1.00 1.14 C ATOM 759 OG SER A 81 -0.952 -13.472 -10.880 1.00 1.74 O ATOM 0 H SER A 81 -3.026 -15.287 -8.441 1.00 0.92 H new ATOM 0 HA SER A 81 -0.114 -15.234 -8.659 1.00 0.96 H new ATOM 0 HB2 SER A 81 -1.075 -15.508 -10.717 1.00 1.14 H new ATOM 0 HB3 SER A 81 -2.531 -14.632 -10.289 1.00 1.14 H new ATOM 0 HG SER A 81 -1.238 -13.492 -11.817 1.00 1.74 H new ATOM 765 N PRO A 82 0.506 -12.850 -7.985 1.00 1.17 N ATOM 766 CA PRO A 82 0.827 -11.484 -7.567 1.00 1.26 C ATOM 767 C PRO A 82 0.225 -10.420 -8.493 1.00 1.14 C ATOM 768 O PRO A 82 -0.280 -9.415 -7.996 1.00 1.07 O ATOM 769 CB PRO A 82 2.356 -11.406 -7.531 1.00 1.49 C ATOM 770 CG PRO A 82 2.756 -12.851 -7.252 1.00 1.66 C ATOM 771 CD PRO A 82 1.723 -13.645 -8.052 1.00 1.37 C ATOM 0 HA PRO A 82 0.391 -11.272 -6.591 1.00 1.26 H new ATOM 0 HB2 PRO A 82 2.766 -11.047 -8.475 1.00 1.49 H new ATOM 0 HB3 PRO A 82 2.709 -10.730 -6.752 1.00 1.49 H new ATOM 0 HG2 PRO A 82 3.773 -13.061 -7.583 1.00 1.66 H new ATOM 0 HG3 PRO A 82 2.712 -13.085 -6.188 1.00 1.66 H new ATOM 0 HD2 PRO A 82 2.046 -13.787 -9.083 1.00 1.37 H new ATOM 0 HD3 PRO A 82 1.571 -14.637 -7.626 1.00 1.37 H new ATOM 779 N LEU A 83 0.190 -10.677 -9.809 1.00 1.18 N ATOM 780 CA LEU A 83 -0.457 -9.816 -10.805 1.00 1.17 C ATOM 781 C LEU A 83 -1.980 -9.785 -10.603 1.00 1.09 C ATOM 782 O LEU A 83 -2.546 -8.699 -10.547 1.00 1.07 O ATOM 783 CB LEU A 83 -0.019 -10.275 -12.214 1.00 1.32 C ATOM 784 CG LEU A 83 -0.497 -9.468 -13.442 1.00 2.13 C ATOM 785 CD1 LEU A 83 -1.945 -9.758 -13.844 1.00 3.73 C ATOM 786 CD2 LEU A 83 -0.321 -7.959 -13.275 1.00 2.81 C ATOM 0 H LEU A 83 0.620 -11.507 -10.217 1.00 1.18 H new ATOM 0 HA LEU A 83 -0.138 -8.781 -10.683 1.00 1.17 H new ATOM 0 HB2 LEU A 83 1.071 -10.289 -12.232 1.00 1.32 H new ATOM 0 HB3 LEU A 83 -0.354 -11.304 -12.345 1.00 1.32 H new ATOM 0 HG LEU A 83 0.155 -9.813 -14.244 1.00 2.13 H new ATOM 0 HD11 LEU A 83 -2.209 -9.155 -14.713 1.00 3.73 H new ATOM 0 HD12 LEU A 83 -2.050 -10.815 -14.090 1.00 3.73 H new ATOM 0 HD13 LEU A 83 -2.609 -9.511 -13.016 1.00 3.73 H new ATOM 0 HD21 LEU A 83 -0.675 -7.450 -14.171 1.00 2.81 H new ATOM 0 HD22 LEU A 83 -0.895 -7.619 -12.413 1.00 2.81 H new ATOM 0 HD23 LEU A 83 0.734 -7.731 -13.121 1.00 2.81 H new ATOM 798 N GLN A 84 -2.631 -10.935 -10.385 1.00 1.10 N ATOM 799 CA GLN A 84 -4.063 -11.025 -10.040 1.00 1.08 C ATOM 800 C GLN A 84 -4.391 -10.180 -8.792 1.00 1.03 C ATOM 801 O GLN A 84 -5.338 -9.395 -8.799 1.00 1.09 O ATOM 802 CB GLN A 84 -4.414 -12.521 -9.873 1.00 1.11 C ATOM 803 CG GLN A 84 -5.789 -12.886 -9.283 1.00 1.17 C ATOM 804 CD GLN A 84 -5.934 -14.407 -9.133 1.00 1.34 C ATOM 805 OE1 GLN A 84 -5.608 -15.181 -10.024 1.00 1.85 O ATOM 806 NE2 GLN A 84 -6.362 -14.904 -7.992 1.00 1.63 N ATOM 0 H GLN A 84 -2.174 -11.845 -10.443 1.00 1.10 H new ATOM 0 HA GLN A 84 -4.680 -10.607 -10.835 1.00 1.08 H new ATOM 0 HB2 GLN A 84 -4.337 -12.992 -10.853 1.00 1.11 H new ATOM 0 HB3 GLN A 84 -3.650 -12.973 -9.241 1.00 1.11 H new ATOM 0 HG2 GLN A 84 -5.911 -12.407 -8.311 1.00 1.17 H new ATOM 0 HG3 GLN A 84 -6.580 -12.503 -9.928 1.00 1.17 H new ATOM 0 HE21 GLN A 84 -6.639 -14.279 -7.235 1.00 1.63 H new ATOM 0 HE22 GLN A 84 -6.417 -15.915 -7.864 1.00 1.63 H new ATOM 815 N ARG A 85 -3.559 -10.260 -7.745 1.00 0.96 N ATOM 816 CA ARG A 85 -3.643 -9.433 -6.525 1.00 0.93 C ATOM 817 C ARG A 85 -3.512 -7.933 -6.815 1.00 0.96 C ATOM 818 O ARG A 85 -4.357 -7.142 -6.388 1.00 1.05 O ATOM 819 CB ARG A 85 -2.575 -9.949 -5.534 1.00 0.96 C ATOM 820 CG ARG A 85 -1.925 -8.920 -4.600 1.00 1.82 C ATOM 821 CD ARG A 85 -2.870 -8.121 -3.678 1.00 3.46 C ATOM 822 NE ARG A 85 -4.086 -8.854 -3.243 1.00 4.78 N ATOM 823 CZ ARG A 85 -5.321 -8.368 -3.196 1.00 6.74 C ATOM 824 NH1 ARG A 85 -5.630 -7.219 -3.721 1.00 7.82 N ATOM 825 NH2 ARG A 85 -6.280 -9.029 -2.624 1.00 8.10 N ATOM 0 H ARG A 85 -2.783 -10.922 -7.719 1.00 0.96 H new ATOM 0 HA ARG A 85 -4.633 -9.533 -6.080 1.00 0.93 H new ATOM 0 HB2 ARG A 85 -3.033 -10.722 -4.917 1.00 0.96 H new ATOM 0 HB3 ARG A 85 -1.784 -10.428 -6.110 1.00 0.96 H new ATOM 0 HG2 ARG A 85 -1.200 -9.440 -3.974 1.00 1.82 H new ATOM 0 HG3 ARG A 85 -1.368 -8.211 -5.212 1.00 1.82 H new ATOM 0 HD2 ARG A 85 -2.314 -7.811 -2.793 1.00 3.46 H new ATOM 0 HD3 ARG A 85 -3.177 -7.212 -4.196 1.00 3.46 H new ATOM 0 HE ARG A 85 -3.961 -9.824 -2.952 1.00 4.78 H new ATOM 0 HH11 ARG A 85 -4.914 -6.662 -4.187 1.00 7.82 H new ATOM 0 HH12 ARG A 85 -6.589 -6.875 -3.667 1.00 7.82 H new ATOM 0 HH21 ARG A 85 -6.091 -9.938 -2.201 1.00 8.10 H new ATOM 0 HH22 ARG A 85 -7.222 -8.640 -2.598 1.00 8.10 H new ATOM 839 N HIS A 86 -2.437 -7.533 -7.486 1.00 0.90 N ATOM 840 CA HIS A 86 -2.130 -6.148 -7.845 1.00 0.86 C ATOM 841 C HIS A 86 -3.256 -5.564 -8.714 1.00 0.92 C ATOM 842 O HIS A 86 -3.801 -4.518 -8.373 1.00 0.98 O ATOM 843 CB HIS A 86 -0.764 -6.150 -8.552 1.00 0.88 C ATOM 844 CG HIS A 86 0.436 -5.811 -7.701 1.00 0.88 C ATOM 845 ND1 HIS A 86 1.437 -4.923 -8.028 1.00 0.97 N ATOM 846 CD2 HIS A 86 0.850 -6.471 -6.577 1.00 0.96 C ATOM 847 CE1 HIS A 86 2.417 -5.042 -7.118 1.00 0.99 C ATOM 848 NE2 HIS A 86 2.093 -5.958 -6.189 1.00 0.99 N ATOM 0 H HIS A 86 -1.726 -8.189 -7.809 1.00 0.90 H new ATOM 0 HA HIS A 86 -2.069 -5.507 -6.965 1.00 0.86 H new ATOM 0 HB2 HIS A 86 -0.606 -7.137 -8.986 1.00 0.88 H new ATOM 0 HB3 HIS A 86 -0.807 -5.441 -9.379 1.00 0.88 H new ATOM 0 HD2 HIS A 86 0.308 -7.257 -6.073 1.00 0.96 H new ATOM 0 HE1 HIS A 86 3.339 -4.479 -7.131 1.00 0.99 H new ATOM 0 HE2 HIS A 86 2.640 -6.224 -5.370 1.00 0.99 H new ATOM 856 N ARG A 87 -3.723 -6.302 -9.729 1.00 0.97 N ATOM 857 CA ARG A 87 -4.892 -5.957 -10.552 1.00 1.10 C ATOM 858 C ARG A 87 -6.160 -5.772 -9.712 1.00 1.12 C ATOM 859 O ARG A 87 -6.888 -4.806 -9.932 1.00 1.20 O ATOM 860 CB ARG A 87 -5.072 -7.039 -11.638 1.00 1.21 C ATOM 861 CG ARG A 87 -6.176 -6.725 -12.659 1.00 2.22 C ATOM 862 CD ARG A 87 -5.819 -5.524 -13.540 1.00 2.18 C ATOM 863 NE ARG A 87 -6.971 -5.107 -14.349 1.00 2.90 N ATOM 864 CZ ARG A 87 -7.168 -3.913 -14.865 1.00 3.71 C ATOM 865 NH1 ARG A 87 -6.268 -2.974 -14.880 1.00 4.49 N ATOM 866 NH2 ARG A 87 -8.327 -3.633 -15.368 1.00 4.62 N ATOM 0 H ARG A 87 -3.287 -7.180 -10.009 1.00 0.97 H new ATOM 0 HA ARG A 87 -4.715 -4.993 -11.030 1.00 1.10 H new ATOM 0 HB2 ARG A 87 -4.128 -7.168 -12.168 1.00 1.21 H new ATOM 0 HB3 ARG A 87 -5.298 -7.989 -11.155 1.00 1.21 H new ATOM 0 HG2 ARG A 87 -6.346 -7.598 -13.289 1.00 2.22 H new ATOM 0 HG3 ARG A 87 -7.109 -6.524 -12.133 1.00 2.22 H new ATOM 0 HD2 ARG A 87 -5.489 -4.694 -12.915 1.00 2.18 H new ATOM 0 HD3 ARG A 87 -4.985 -5.782 -14.193 1.00 2.18 H new ATOM 0 HE ARG A 87 -7.687 -5.811 -14.528 1.00 2.90 H new ATOM 0 HH11 ARG A 87 -5.347 -3.144 -14.476 1.00 4.49 H new ATOM 0 HH12 ARG A 87 -6.483 -2.068 -15.296 1.00 4.49 H new ATOM 0 HH21 ARG A 87 -9.069 -4.333 -15.360 1.00 4.62 H new ATOM 0 HH22 ARG A 87 -8.498 -2.712 -15.773 1.00 4.62 H new ATOM 880 N LEU A 88 -6.385 -6.616 -8.699 1.00 1.10 N ATOM 881 CA LEU A 88 -7.467 -6.424 -7.724 1.00 1.21 C ATOM 882 C LEU A 88 -7.309 -5.111 -6.931 1.00 1.17 C ATOM 883 O LEU A 88 -8.300 -4.411 -6.724 1.00 1.22 O ATOM 884 CB LEU A 88 -7.564 -7.651 -6.788 1.00 1.32 C ATOM 885 CG LEU A 88 -8.963 -8.286 -6.699 1.00 1.79 C ATOM 886 CD1 LEU A 88 -8.893 -9.525 -5.804 1.00 2.19 C ATOM 887 CD2 LEU A 88 -10.010 -7.338 -6.113 1.00 2.65 C ATOM 0 H LEU A 88 -5.823 -7.451 -8.531 1.00 1.10 H new ATOM 0 HA LEU A 88 -8.404 -6.336 -8.274 1.00 1.21 H new ATOM 0 HB2 LEU A 88 -6.858 -8.408 -7.130 1.00 1.32 H new ATOM 0 HB3 LEU A 88 -7.252 -7.353 -5.787 1.00 1.32 H new ATOM 0 HG LEU A 88 -9.265 -8.535 -7.716 1.00 1.79 H new ATOM 0 HD11 LEU A 88 -9.881 -9.981 -5.736 1.00 2.19 H new ATOM 0 HD12 LEU A 88 -8.191 -10.242 -6.230 1.00 2.19 H new ATOM 0 HD13 LEU A 88 -8.557 -9.236 -4.808 1.00 2.19 H new ATOM 0 HD21 LEU A 88 -10.976 -7.841 -6.075 1.00 2.65 H new ATOM 0 HD22 LEU A 88 -9.713 -7.046 -5.106 1.00 2.65 H new ATOM 0 HD23 LEU A 88 -10.088 -6.450 -6.740 1.00 2.65 H new ATOM 899 N VAL A 89 -6.091 -4.715 -6.529 1.00 1.17 N ATOM 900 CA VAL A 89 -5.862 -3.373 -5.928 1.00 1.33 C ATOM 901 C VAL A 89 -6.170 -2.250 -6.928 1.00 1.39 C ATOM 902 O VAL A 89 -6.756 -1.237 -6.561 1.00 1.50 O ATOM 903 CB VAL A 89 -4.426 -3.166 -5.387 1.00 1.50 C ATOM 904 CG1 VAL A 89 -4.302 -1.864 -4.580 1.00 1.62 C ATOM 905 CG2 VAL A 89 -3.971 -4.291 -4.455 1.00 1.63 C ATOM 0 H VAL A 89 -5.252 -5.291 -6.604 1.00 1.17 H new ATOM 0 HA VAL A 89 -6.548 -3.329 -5.082 1.00 1.33 H new ATOM 0 HB VAL A 89 -3.801 -3.141 -6.280 1.00 1.50 H new ATOM 0 HG11 VAL A 89 -3.279 -1.756 -4.218 1.00 1.62 H new ATOM 0 HG12 VAL A 89 -4.553 -1.016 -5.217 1.00 1.62 H new ATOM 0 HG13 VAL A 89 -4.986 -1.895 -3.732 1.00 1.62 H new ATOM 0 HG21 VAL A 89 -2.957 -4.089 -4.109 1.00 1.63 H new ATOM 0 HG22 VAL A 89 -4.643 -4.348 -3.598 1.00 1.63 H new ATOM 0 HG23 VAL A 89 -3.989 -5.239 -4.993 1.00 1.63 H new ATOM 915 N HIS A 90 -5.811 -2.431 -8.196 1.00 1.38 N ATOM 916 CA HIS A 90 -5.903 -1.410 -9.241 1.00 1.56 C ATOM 917 C HIS A 90 -7.352 -1.145 -9.652 1.00 1.56 C ATOM 918 O HIS A 90 -7.735 0.009 -9.836 1.00 1.67 O ATOM 919 CB HIS A 90 -5.110 -1.828 -10.499 1.00 1.73 C ATOM 920 CG HIS A 90 -3.623 -2.066 -10.369 1.00 1.87 C ATOM 921 ND1 HIS A 90 -2.819 -2.583 -11.362 1.00 2.16 N ATOM 922 CD2 HIS A 90 -2.815 -1.816 -9.290 1.00 1.85 C ATOM 923 CE1 HIS A 90 -1.564 -2.651 -10.889 1.00 2.21 C ATOM 924 NE2 HIS A 90 -1.506 -2.186 -9.628 1.00 2.03 N ATOM 0 H HIS A 90 -5.437 -3.317 -8.537 1.00 1.38 H new ATOM 0 HA HIS A 90 -5.478 -0.500 -8.818 1.00 1.56 H new ATOM 0 HB2 HIS A 90 -5.559 -2.743 -10.885 1.00 1.73 H new ATOM 0 HB3 HIS A 90 -5.257 -1.057 -11.255 1.00 1.73 H new ATOM 0 HD1 HIS A 90 -3.124 -2.865 -12.294 1.00 2.16 H new ATOM 0 HD2 HIS A 90 -3.132 -1.405 -8.343 1.00 1.85 H new ATOM 0 HE1 HIS A 90 -0.718 -3.027 -11.445 1.00 2.21 H new ATOM 932 N ALA A 91 -8.155 -2.198 -9.824 1.00 1.50 N ATOM 933 CA ALA A 91 -9.555 -2.060 -10.205 1.00 1.59 C ATOM 934 C ALA A 91 -10.524 -1.913 -9.032 1.00 1.63 C ATOM 935 O ALA A 91 -11.505 -1.180 -9.170 1.00 1.83 O ATOM 936 CB ALA A 91 -9.924 -3.208 -11.150 1.00 1.69 C ATOM 0 H ALA A 91 -7.851 -3.164 -9.703 1.00 1.50 H new ATOM 0 HA ALA A 91 -9.664 -1.110 -10.728 1.00 1.59 H new ATOM 0 HB1 ALA A 91 -10.970 -3.116 -11.443 1.00 1.69 H new ATOM 0 HB2 ALA A 91 -9.293 -3.165 -12.038 1.00 1.69 H new ATOM 0 HB3 ALA A 91 -9.771 -4.160 -10.642 1.00 1.69 H new ATOM 942 N ALA A 92 -10.273 -2.545 -7.879 1.00 1.50 N ATOM 943 CA ALA A 92 -11.122 -2.306 -6.714 1.00 1.56 C ATOM 944 C ALA A 92 -10.728 -1.042 -5.974 1.00 1.74 C ATOM 945 O ALA A 92 -11.597 -0.240 -5.630 1.00 2.08 O ATOM 946 CB ALA A 92 -11.132 -3.517 -5.768 1.00 1.50 C ATOM 0 H ALA A 92 -9.511 -3.207 -7.732 1.00 1.50 H new ATOM 0 HA ALA A 92 -12.136 -2.162 -7.086 1.00 1.56 H new ATOM 0 HB1 ALA A 92 -11.773 -3.305 -4.912 1.00 1.50 H new ATOM 0 HB2 ALA A 92 -11.512 -4.390 -6.299 1.00 1.50 H new ATOM 0 HB3 ALA A 92 -10.118 -3.716 -5.421 1.00 1.50 H new ATOM 952 N LEU A 93 -9.436 -0.855 -5.695 1.00 1.56 N ATOM 953 CA LEU A 93 -9.036 0.034 -4.601 1.00 1.49 C ATOM 954 C LEU A 93 -8.268 1.265 -5.052 1.00 1.33 C ATOM 955 O LEU A 93 -7.649 1.956 -4.244 1.00 1.24 O ATOM 956 CB LEU A 93 -8.280 -0.761 -3.551 1.00 1.50 C ATOM 957 CG LEU A 93 -9.119 -1.801 -2.784 1.00 1.93 C ATOM 958 CD1 LEU A 93 -8.494 -1.798 -1.411 1.00 1.49 C ATOM 959 CD2 LEU A 93 -10.611 -1.541 -2.538 1.00 3.21 C ATOM 0 H LEU A 93 -8.665 -1.295 -6.197 1.00 1.56 H new ATOM 0 HA LEU A 93 -9.949 0.434 -4.161 1.00 1.49 H new ATOM 0 HB2 LEU A 93 -7.449 -1.274 -4.036 1.00 1.50 H new ATOM 0 HB3 LEU A 93 -7.849 -0.064 -2.832 1.00 1.50 H new ATOM 0 HG LEU A 93 -9.105 -2.704 -3.395 1.00 1.93 H new ATOM 0 HD11 LEU A 93 -9.016 -2.510 -0.772 1.00 1.49 H new ATOM 0 HD12 LEU A 93 -7.445 -2.082 -1.488 1.00 1.49 H new ATOM 0 HD13 LEU A 93 -8.569 -0.800 -0.979 1.00 1.49 H new ATOM 0 HD21 LEU A 93 -11.040 -2.377 -1.985 1.00 3.21 H new ATOM 0 HD22 LEU A 93 -10.730 -0.624 -1.960 1.00 3.21 H new ATOM 0 HD23 LEU A 93 -11.125 -1.437 -3.494 1.00 3.21 H new ATOM 971 N ALA A 94 -8.351 1.560 -6.339 1.00 1.41 N ATOM 972 CA ALA A 94 -7.684 2.759 -6.866 1.00 1.36 C ATOM 973 C ALA A 94 -8.073 4.055 -6.130 1.00 1.23 C ATOM 974 O ALA A 94 -7.202 4.881 -5.876 1.00 1.15 O ATOM 975 CB ALA A 94 -7.907 2.894 -8.371 1.00 1.68 C ATOM 0 H ALA A 94 -8.858 1.007 -7.030 1.00 1.41 H new ATOM 0 HA ALA A 94 -6.619 2.617 -6.680 1.00 1.36 H new ATOM 0 HB1 ALA A 94 -7.403 3.789 -8.735 1.00 1.68 H new ATOM 0 HB2 ALA A 94 -7.503 2.018 -8.879 1.00 1.68 H new ATOM 0 HB3 ALA A 94 -8.975 2.971 -8.575 1.00 1.68 H new ATOM 981 N GLU A 95 -9.320 4.225 -5.687 1.00 1.29 N ATOM 982 CA GLU A 95 -9.704 5.421 -4.927 1.00 1.30 C ATOM 983 C GLU A 95 -9.192 5.416 -3.471 1.00 1.31 C ATOM 984 O GLU A 95 -9.040 6.476 -2.865 1.00 1.44 O ATOM 985 CB GLU A 95 -11.236 5.564 -5.002 1.00 1.52 C ATOM 986 CG GLU A 95 -11.763 6.968 -4.678 1.00 2.10 C ATOM 987 CD GLU A 95 -11.304 8.037 -5.678 1.00 3.20 C ATOM 988 OE1 GLU A 95 -11.223 7.770 -6.906 1.00 3.95 O ATOM 989 OE2 GLU A 95 -11.063 9.191 -5.246 1.00 4.38 O ATOM 0 H GLU A 95 -10.077 3.558 -5.838 1.00 1.29 H new ATOM 0 HA GLU A 95 -9.224 6.289 -5.378 1.00 1.30 H new ATOM 0 HB2 GLU A 95 -11.565 5.289 -6.004 1.00 1.52 H new ATOM 0 HB3 GLU A 95 -11.688 4.852 -4.312 1.00 1.52 H new ATOM 0 HG2 GLU A 95 -12.853 6.943 -4.658 1.00 2.10 H new ATOM 0 HG3 GLU A 95 -11.432 7.250 -3.678 1.00 2.10 H new ATOM 996 N GLU A 96 -8.902 4.249 -2.889 1.00 1.27 N ATOM 997 CA GLU A 96 -8.526 4.046 -1.510 1.00 1.33 C ATOM 998 C GLU A 96 -7.020 4.203 -1.288 1.00 1.27 C ATOM 999 O GLU A 96 -6.582 4.881 -0.361 1.00 1.45 O ATOM 1000 CB GLU A 96 -8.940 2.623 -1.211 1.00 1.43 C ATOM 1001 CG GLU A 96 -10.450 2.438 -1.263 1.00 1.40 C ATOM 1002 CD GLU A 96 -11.097 2.308 0.119 1.00 1.73 C ATOM 1003 OE1 GLU A 96 -11.463 3.353 0.707 1.00 3.09 O ATOM 1004 OE2 GLU A 96 -11.242 1.183 0.654 1.00 1.89 O ATOM 0 H GLU A 96 -8.929 3.373 -3.412 1.00 1.27 H new ATOM 0 HA GLU A 96 -9.001 4.783 -0.863 1.00 1.33 H new ATOM 0 HB2 GLU A 96 -8.469 1.951 -1.929 1.00 1.43 H new ATOM 0 HB3 GLU A 96 -8.575 2.341 -0.223 1.00 1.43 H new ATOM 0 HG2 GLU A 96 -10.894 3.285 -1.785 1.00 1.40 H new ATOM 0 HG3 GLU A 96 -10.679 1.547 -1.848 1.00 1.40 H new ATOM 1011 N LEU A 97 -6.238 3.552 -2.157 1.00 1.07 N ATOM 1012 CA LEU A 97 -4.794 3.587 -2.247 1.00 1.08 C ATOM 1013 C LEU A 97 -4.288 4.772 -3.075 1.00 1.25 C ATOM 1014 O LEU A 97 -3.263 5.365 -2.747 1.00 1.51 O ATOM 1015 CB LEU A 97 -4.428 2.270 -2.956 1.00 1.15 C ATOM 1016 CG LEU A 97 -3.643 1.214 -2.159 1.00 1.13 C ATOM 1017 CD1 LEU A 97 -2.304 1.740 -1.641 1.00 2.23 C ATOM 1018 CD2 LEU A 97 -4.481 0.636 -1.017 1.00 2.90 C ATOM 0 H LEU A 97 -6.642 2.942 -2.867 1.00 1.07 H new ATOM 0 HA LEU A 97 -4.343 3.698 -1.261 1.00 1.08 H new ATOM 0 HB2 LEU A 97 -5.353 1.808 -3.301 1.00 1.15 H new ATOM 0 HB3 LEU A 97 -3.846 2.519 -3.843 1.00 1.15 H new ATOM 0 HG LEU A 97 -3.418 0.409 -2.859 1.00 1.13 H new ATOM 0 HD11 LEU A 97 -1.794 0.953 -1.086 1.00 2.23 H new ATOM 0 HD12 LEU A 97 -1.685 2.051 -2.483 1.00 2.23 H new ATOM 0 HD13 LEU A 97 -2.477 2.592 -0.984 1.00 2.23 H new ATOM 0 HD21 LEU A 97 -3.895 -0.107 -0.475 1.00 2.90 H new ATOM 0 HD22 LEU A 97 -4.770 1.437 -0.336 1.00 2.90 H new ATOM 0 HD23 LEU A 97 -5.376 0.165 -1.424 1.00 2.90 H new ATOM 1030 N GLY A 98 -4.980 5.070 -4.179 1.00 1.31 N ATOM 1031 CA GLY A 98 -4.467 5.922 -5.261 1.00 1.75 C ATOM 1032 C GLY A 98 -5.143 7.289 -5.339 1.00 1.75 C ATOM 1033 O GLY A 98 -4.680 8.167 -6.066 1.00 2.15 O ATOM 0 H GLY A 98 -5.924 4.723 -4.350 1.00 1.31 H new ATOM 0 HA2 GLY A 98 -3.395 6.064 -5.123 1.00 1.75 H new ATOM 0 HA3 GLY A 98 -4.600 5.406 -6.212 1.00 1.75 H new ATOM 1037 N GLY A 99 -6.209 7.490 -4.559 1.00 1.68 N ATOM 1038 CA GLY A 99 -7.036 8.695 -4.569 1.00 2.04 C ATOM 1039 C GLY A 99 -6.264 9.983 -4.258 1.00 2.12 C ATOM 1040 O GLY A 99 -6.327 10.926 -5.054 1.00 2.35 O ATOM 0 H GLY A 99 -6.528 6.796 -3.883 1.00 1.68 H new ATOM 0 HA2 GLY A 99 -7.506 8.793 -5.547 1.00 2.04 H new ATOM 0 HA3 GLY A 99 -7.838 8.579 -3.840 1.00 2.04 H new ATOM 1044 N PRO A 100 -5.502 10.045 -3.146 1.00 2.02 N ATOM 1045 CA PRO A 100 -4.876 11.286 -2.688 1.00 2.10 C ATOM 1046 C PRO A 100 -3.460 11.563 -3.245 1.00 1.93 C ATOM 1047 O PRO A 100 -2.889 12.622 -2.970 1.00 2.05 O ATOM 1048 CB PRO A 100 -4.914 11.166 -1.162 1.00 2.24 C ATOM 1049 CG PRO A 100 -4.701 9.676 -0.921 1.00 2.12 C ATOM 1050 CD PRO A 100 -5.503 9.060 -2.065 1.00 1.99 C ATOM 0 HA PRO A 100 -5.415 12.156 -3.064 1.00 2.10 H new ATOM 0 HB2 PRO A 100 -4.134 11.765 -0.692 1.00 2.24 H new ATOM 0 HB3 PRO A 100 -5.866 11.507 -0.755 1.00 2.24 H new ATOM 0 HG2 PRO A 100 -3.647 9.401 -0.965 1.00 2.12 H new ATOM 0 HG3 PRO A 100 -5.072 9.362 0.055 1.00 2.12 H new ATOM 0 HD2 PRO A 100 -5.054 8.122 -2.393 1.00 1.99 H new ATOM 0 HD3 PRO A 100 -6.521 8.832 -1.748 1.00 1.99 H new ATOM 1058 N VAL A 101 -2.874 10.632 -4.006 1.00 1.75 N ATOM 1059 CA VAL A 101 -1.515 10.612 -4.549 1.00 1.64 C ATOM 1060 C VAL A 101 -1.535 10.723 -6.075 1.00 1.73 C ATOM 1061 O VAL A 101 -2.498 10.339 -6.737 1.00 1.92 O ATOM 1062 CB VAL A 101 -0.866 9.291 -4.094 1.00 1.52 C ATOM 1063 CG1 VAL A 101 -0.611 9.271 -2.585 1.00 1.35 C ATOM 1064 CG2 VAL A 101 -1.684 8.042 -4.433 1.00 2.66 C ATOM 0 H VAL A 101 -3.389 9.796 -4.282 1.00 1.75 H new ATOM 0 HA VAL A 101 -0.941 11.463 -4.184 1.00 1.64 H new ATOM 0 HB VAL A 101 0.070 9.257 -4.651 1.00 1.52 H new ATOM 0 HG11 VAL A 101 -0.153 8.322 -2.306 1.00 1.35 H new ATOM 0 HG12 VAL A 101 0.058 10.089 -2.318 1.00 1.35 H new ATOM 0 HG13 VAL A 101 -1.556 9.387 -2.055 1.00 1.35 H new ATOM 0 HG21 VAL A 101 -1.158 7.155 -4.079 1.00 2.66 H new ATOM 0 HG22 VAL A 101 -2.659 8.103 -3.949 1.00 2.66 H new ATOM 0 HG23 VAL A 101 -1.819 7.977 -5.513 1.00 2.66 H new ATOM 1074 N HIS A 102 -0.453 11.252 -6.636 1.00 1.72 N ATOM 1075 CA HIS A 102 -0.208 11.363 -8.076 1.00 1.87 C ATOM 1076 C HIS A 102 0.894 10.398 -8.556 1.00 1.93 C ATOM 1077 O HIS A 102 1.009 10.141 -9.756 1.00 2.38 O ATOM 1078 CB HIS A 102 -0.002 12.838 -8.448 1.00 1.79 C ATOM 1079 CG HIS A 102 1.372 13.177 -8.910 1.00 3.38 C ATOM 1080 ND1 HIS A 102 1.784 13.568 -10.157 1.00 4.49 N ATOM 1081 CD2 HIS A 102 2.457 13.130 -8.101 1.00 4.37 C ATOM 1082 CE1 HIS A 102 3.109 13.778 -10.097 1.00 6.15 C ATOM 1083 NE2 HIS A 102 3.575 13.530 -8.853 1.00 6.17 N ATOM 0 H HIS A 102 0.312 11.632 -6.079 1.00 1.72 H new ATOM 0 HA HIS A 102 -1.086 11.029 -8.629 1.00 1.87 H new ATOM 0 HB2 HIS A 102 -0.710 13.103 -9.233 1.00 1.79 H new ATOM 0 HB3 HIS A 102 -0.242 13.454 -7.581 1.00 1.79 H new ATOM 0 HD2 HIS A 102 2.462 12.837 -7.062 1.00 4.37 H new ATOM 0 HE1 HIS A 102 3.718 14.101 -10.928 1.00 6.15 H new ATOM 0 HE2 HIS A 102 4.538 13.615 -8.527 1.00 6.17 H new ATOM 1091 N ALA A 103 1.669 9.808 -7.639 1.00 1.55 N ATOM 1092 CA ALA A 103 2.438 8.596 -7.921 1.00 1.47 C ATOM 1093 C ALA A 103 2.449 7.639 -6.725 1.00 1.06 C ATOM 1094 O ALA A 103 2.499 8.069 -5.570 1.00 0.83 O ATOM 1095 CB ALA A 103 3.864 8.956 -8.331 1.00 1.62 C ATOM 0 H ALA A 103 1.779 10.157 -6.687 1.00 1.55 H new ATOM 0 HA ALA A 103 1.951 8.080 -8.748 1.00 1.47 H new ATOM 0 HB1 ALA A 103 4.424 8.044 -8.538 1.00 1.62 H new ATOM 0 HB2 ALA A 103 3.839 9.578 -9.226 1.00 1.62 H new ATOM 0 HB3 ALA A 103 4.348 9.504 -7.522 1.00 1.62 H new ATOM 1101 N LEU A 104 2.445 6.339 -7.008 1.00 1.03 N ATOM 1102 CA LEU A 104 2.589 5.270 -6.039 1.00 0.78 C ATOM 1103 C LEU A 104 3.094 3.944 -6.623 1.00 0.80 C ATOM 1104 O LEU A 104 2.617 3.506 -7.670 1.00 0.88 O ATOM 1105 CB LEU A 104 1.282 5.054 -5.273 1.00 0.87 C ATOM 1106 CG LEU A 104 0.079 4.377 -5.956 1.00 1.21 C ATOM 1107 CD1 LEU A 104 -0.937 4.088 -4.852 1.00 1.37 C ATOM 1108 CD2 LEU A 104 -0.573 5.238 -7.037 1.00 1.63 C ATOM 0 H LEU A 104 2.336 5.993 -7.961 1.00 1.03 H new ATOM 0 HA LEU A 104 3.368 5.605 -5.354 1.00 0.78 H new ATOM 0 HB2 LEU A 104 1.522 4.466 -4.387 1.00 0.87 H new ATOM 0 HB3 LEU A 104 0.947 6.032 -4.926 1.00 0.87 H new ATOM 0 HG LEU A 104 0.423 3.476 -6.464 1.00 1.21 H new ATOM 0 HD11 LEU A 104 -1.815 3.606 -5.282 1.00 1.37 H new ATOM 0 HD12 LEU A 104 -0.489 3.429 -4.108 1.00 1.37 H new ATOM 0 HD13 LEU A 104 -1.234 5.023 -4.377 1.00 1.37 H new ATOM 0 HD21 LEU A 104 -1.413 4.698 -7.475 1.00 1.63 H new ATOM 0 HD22 LEU A 104 -0.930 6.168 -6.595 1.00 1.63 H new ATOM 0 HD23 LEU A 104 0.158 5.463 -7.813 1.00 1.63 H new ATOM 1120 N ALA A 105 3.967 3.255 -5.881 1.00 0.77 N ATOM 1121 CA ALA A 105 4.349 1.863 -6.153 1.00 0.80 C ATOM 1122 C ALA A 105 4.032 0.928 -4.968 1.00 0.69 C ATOM 1123 O ALA A 105 4.240 1.297 -3.808 1.00 0.62 O ATOM 1124 CB ALA A 105 5.823 1.799 -6.557 1.00 0.89 C ATOM 0 H ALA A 105 4.434 3.651 -5.065 1.00 0.77 H new ATOM 0 HA ALA A 105 3.747 1.501 -6.986 1.00 0.80 H new ATOM 0 HB1 ALA A 105 6.101 0.764 -6.757 1.00 0.89 H new ATOM 0 HB2 ALA A 105 5.981 2.397 -7.454 1.00 0.89 H new ATOM 0 HB3 ALA A 105 6.439 2.190 -5.747 1.00 0.89 H new ATOM 1130 N ILE A 106 3.542 -0.283 -5.257 1.00 0.74 N ATOM 1131 CA ILE A 106 3.131 -1.290 -4.268 1.00 0.64 C ATOM 1132 C ILE A 106 3.932 -2.599 -4.383 1.00 0.54 C ATOM 1133 O ILE A 106 4.377 -2.985 -5.467 1.00 0.61 O ATOM 1134 CB ILE A 106 1.611 -1.568 -4.372 1.00 0.86 C ATOM 1135 CG1 ILE A 106 1.183 -1.888 -5.823 1.00 1.15 C ATOM 1136 CG2 ILE A 106 0.809 -0.373 -3.824 1.00 0.86 C ATOM 1137 CD1 ILE A 106 -0.160 -2.607 -5.953 1.00 1.48 C ATOM 0 H ILE A 106 3.416 -0.601 -6.218 1.00 0.74 H new ATOM 0 HA ILE A 106 3.350 -0.874 -3.285 1.00 0.64 H new ATOM 0 HB ILE A 106 1.395 -2.448 -3.766 1.00 0.86 H new ATOM 0 HG12 ILE A 106 1.136 -0.956 -6.387 1.00 1.15 H new ATOM 0 HG13 ILE A 106 1.954 -2.503 -6.287 1.00 1.15 H new ATOM 0 HG21 ILE A 106 -0.258 -0.583 -3.904 1.00 0.86 H new ATOM 0 HG22 ILE A 106 1.069 -0.209 -2.778 1.00 0.86 H new ATOM 0 HG23 ILE A 106 1.047 0.520 -4.401 1.00 0.86 H new ATOM 0 HD11 ILE A 106 -0.375 -2.789 -7.006 1.00 1.48 H new ATOM 0 HD12 ILE A 106 -0.116 -3.558 -5.422 1.00 1.48 H new ATOM 0 HD13 ILE A 106 -0.947 -1.988 -5.524 1.00 1.48 H new ATOM 1149 N GLN A 107 4.066 -3.320 -3.267 1.00 0.51 N ATOM 1150 CA GLN A 107 4.470 -4.732 -3.219 1.00 0.51 C ATOM 1151 C GLN A 107 3.517 -5.508 -2.298 1.00 0.52 C ATOM 1152 O GLN A 107 3.258 -5.055 -1.182 1.00 0.64 O ATOM 1153 CB GLN A 107 5.917 -4.899 -2.714 1.00 0.61 C ATOM 1154 CG GLN A 107 6.973 -3.989 -3.362 1.00 0.79 C ATOM 1155 CD GLN A 107 7.078 -2.634 -2.669 1.00 2.35 C ATOM 1156 OE1 GLN A 107 7.372 -2.541 -1.481 1.00 3.35 O ATOM 1157 NE2 GLN A 107 6.870 -1.536 -3.360 1.00 3.49 N ATOM 0 H GLN A 107 3.891 -2.927 -2.342 1.00 0.51 H new ATOM 0 HA GLN A 107 4.421 -5.126 -4.234 1.00 0.51 H new ATOM 0 HB2 GLN A 107 5.927 -4.722 -1.638 1.00 0.61 H new ATOM 0 HB3 GLN A 107 6.216 -5.935 -2.870 1.00 0.61 H new ATOM 0 HG2 GLN A 107 7.943 -4.485 -3.333 1.00 0.79 H new ATOM 0 HG3 GLN A 107 6.724 -3.838 -4.412 1.00 0.79 H new ATOM 0 HE21 GLN A 107 6.625 -1.594 -4.348 1.00 3.49 H new ATOM 0 HE22 GLN A 107 6.954 -0.625 -2.908 1.00 3.49 H new ATOM 1166 N ALA A 108 3.020 -6.677 -2.722 1.00 0.64 N ATOM 1167 CA ALA A 108 2.094 -7.501 -1.933 1.00 0.64 C ATOM 1168 C ALA A 108 2.669 -8.898 -1.636 1.00 0.70 C ATOM 1169 O ALA A 108 3.241 -9.530 -2.525 1.00 0.99 O ATOM 1170 CB ALA A 108 0.741 -7.563 -2.648 1.00 0.80 C ATOM 0 H ALA A 108 3.251 -7.081 -3.630 1.00 0.64 H new ATOM 0 HA ALA A 108 1.949 -7.036 -0.958 1.00 0.64 H new ATOM 0 HB1 ALA A 108 0.050 -8.173 -2.067 1.00 0.80 H new ATOM 0 HB2 ALA A 108 0.337 -6.556 -2.751 1.00 0.80 H new ATOM 0 HB3 ALA A 108 0.872 -8.004 -3.636 1.00 0.80 H new ATOM 1176 N ARG A 109 2.563 -9.372 -0.386 1.00 0.60 N ATOM 1177 CA ARG A 109 3.165 -10.639 0.084 1.00 0.63 C ATOM 1178 C ARG A 109 2.313 -11.384 1.122 1.00 0.56 C ATOM 1179 O ARG A 109 1.330 -10.873 1.668 1.00 0.52 O ATOM 1180 CB ARG A 109 4.570 -10.365 0.663 1.00 0.84 C ATOM 1181 CG ARG A 109 5.682 -10.145 -0.377 1.00 1.13 C ATOM 1182 CD ARG A 109 5.955 -8.676 -0.704 1.00 1.30 C ATOM 1183 NE ARG A 109 7.003 -8.549 -1.729 1.00 1.50 N ATOM 1184 CZ ARG A 109 6.857 -8.543 -3.040 1.00 1.77 C ATOM 1185 NH1 ARG A 109 5.724 -8.793 -3.629 1.00 3.08 N ATOM 1186 NH2 ARG A 109 7.876 -8.228 -3.774 1.00 2.22 N ATOM 0 H ARG A 109 2.048 -8.880 0.344 1.00 0.60 H new ATOM 0 HA ARG A 109 3.227 -11.291 -0.787 1.00 0.63 H new ATOM 0 HB2 ARG A 109 4.515 -9.484 1.303 1.00 0.84 H new ATOM 0 HB3 ARG A 109 4.852 -11.204 1.299 1.00 0.84 H new ATOM 0 HG2 ARG A 109 6.602 -10.601 -0.010 1.00 1.13 H new ATOM 0 HG3 ARG A 109 5.412 -10.666 -1.296 1.00 1.13 H new ATOM 0 HD2 ARG A 109 5.039 -8.202 -1.055 1.00 1.30 H new ATOM 0 HD3 ARG A 109 6.260 -8.149 0.200 1.00 1.30 H new ATOM 0 HE ARG A 109 7.958 -8.454 -1.384 1.00 1.50 H new ATOM 0 HH11 ARG A 109 4.896 -9.006 -3.073 1.00 3.08 H new ATOM 0 HH12 ARG A 109 5.664 -8.776 -4.647 1.00 3.08 H new ATOM 0 HH21 ARG A 109 8.766 -7.992 -3.336 1.00 2.22 H new ATOM 0 HH22 ARG A 109 7.788 -8.216 -4.790 1.00 2.22 H new ATOM 1200 N THR A 110 2.741 -12.605 1.423 1.00 0.61 N ATOM 1201 CA THR A 110 2.151 -13.476 2.443 1.00 0.62 C ATOM 1202 C THR A 110 3.091 -13.611 3.656 1.00 0.59 C ATOM 1203 O THR A 110 4.290 -13.304 3.563 1.00 0.55 O ATOM 1204 CB THR A 110 1.752 -14.812 1.801 1.00 0.72 C ATOM 1205 OG1 THR A 110 2.819 -15.374 1.067 1.00 0.78 O ATOM 1206 CG2 THR A 110 0.574 -14.606 0.856 1.00 0.94 C ATOM 0 H THR A 110 3.536 -13.034 0.949 1.00 0.61 H new ATOM 0 HA THR A 110 1.237 -13.035 2.840 1.00 0.62 H new ATOM 0 HB THR A 110 1.480 -15.492 2.609 1.00 0.72 H new ATOM 0 HG1 THR A 110 2.533 -16.224 0.673 1.00 0.78 H new ATOM 0 HG21 THR A 110 0.298 -15.559 0.405 1.00 0.94 H new ATOM 0 HG22 THR A 110 -0.274 -14.209 1.413 1.00 0.94 H new ATOM 0 HG23 THR A 110 0.855 -13.902 0.073 1.00 0.94 H new ATOM 1214 N PRO A 111 2.569 -13.966 4.846 1.00 0.65 N ATOM 1215 CA PRO A 111 3.339 -13.816 6.072 1.00 0.64 C ATOM 1216 C PRO A 111 4.568 -14.717 6.140 1.00 0.77 C ATOM 1217 O PRO A 111 5.643 -14.191 6.381 1.00 0.85 O ATOM 1218 CB PRO A 111 2.367 -14.016 7.230 1.00 0.72 C ATOM 1219 CG PRO A 111 1.207 -14.784 6.604 1.00 0.97 C ATOM 1220 CD PRO A 111 1.183 -14.265 5.169 1.00 0.76 C ATOM 0 HA PRO A 111 3.775 -12.818 6.118 1.00 0.64 H new ATOM 0 HB2 PRO A 111 2.825 -14.577 8.044 1.00 0.72 H new ATOM 0 HB3 PRO A 111 2.038 -13.063 7.645 1.00 0.72 H new ATOM 0 HG2 PRO A 111 1.370 -15.861 6.640 1.00 0.97 H new ATOM 0 HG3 PRO A 111 0.267 -14.586 7.120 1.00 0.97 H new ATOM 0 HD2 PRO A 111 0.772 -15.010 4.488 1.00 0.76 H new ATOM 0 HD3 PRO A 111 0.558 -13.376 5.083 1.00 0.76 H new ATOM 1228 N ALA A 112 4.493 -16.025 5.886 1.00 0.96 N ATOM 1229 CA ALA A 112 5.647 -16.915 6.078 1.00 1.16 C ATOM 1230 C ALA A 112 6.853 -16.593 5.164 1.00 1.07 C ATOM 1231 O ALA A 112 8.004 -16.783 5.565 1.00 1.24 O ATOM 1232 CB ALA A 112 5.185 -18.365 5.886 1.00 1.42 C ATOM 0 H ALA A 112 3.652 -16.492 5.549 1.00 0.96 H new ATOM 0 HA ALA A 112 6.014 -16.757 7.092 1.00 1.16 H new ATOM 0 HB1 ALA A 112 6.031 -19.038 6.025 1.00 1.42 H new ATOM 0 HB2 ALA A 112 4.410 -18.600 6.616 1.00 1.42 H new ATOM 0 HB3 ALA A 112 4.785 -18.489 4.880 1.00 1.42 H new ATOM 1238 N GLN A 113 6.633 -16.057 3.960 1.00 0.89 N ATOM 1239 CA GLN A 113 7.719 -15.554 3.108 1.00 0.83 C ATOM 1240 C GLN A 113 8.175 -14.137 3.503 1.00 0.78 C ATOM 1241 O GLN A 113 9.378 -13.870 3.415 1.00 1.00 O ATOM 1242 CB GLN A 113 7.356 -15.700 1.626 1.00 1.02 C ATOM 1243 CG GLN A 113 6.164 -14.837 1.224 1.00 1.14 C ATOM 1244 CD GLN A 113 6.592 -13.608 0.442 1.00 1.27 C ATOM 1245 OE1 GLN A 113 7.397 -12.807 0.886 1.00 2.58 O ATOM 1246 NE2 GLN A 113 6.104 -13.433 -0.758 1.00 1.85 N ATOM 0 H GLN A 113 5.705 -15.959 3.549 1.00 0.89 H new ATOM 0 HA GLN A 113 8.597 -16.177 3.277 1.00 0.83 H new ATOM 0 HB2 GLN A 113 8.218 -15.428 1.017 1.00 1.02 H new ATOM 0 HB3 GLN A 113 7.131 -16.745 1.412 1.00 1.02 H new ATOM 0 HG2 GLN A 113 5.475 -15.428 0.622 1.00 1.14 H new ATOM 0 HG3 GLN A 113 5.622 -14.528 2.118 1.00 1.14 H new ATOM 0 HE21 GLN A 113 5.430 -14.099 -1.137 1.00 1.85 H new ATOM 0 HE22 GLN A 113 6.397 -12.631 -1.316 1.00 1.85 H new ATOM 1255 N TRP A 114 7.292 -13.275 4.044 1.00 0.69 N ATOM 1256 CA TRP A 114 7.727 -12.089 4.804 1.00 0.75 C ATOM 1257 C TRP A 114 8.618 -12.450 6.005 1.00 0.90 C ATOM 1258 O TRP A 114 9.638 -11.789 6.215 1.00 1.10 O ATOM 1259 CB TRP A 114 6.522 -11.248 5.236 1.00 0.71 C ATOM 1260 CG TRP A 114 6.884 -10.129 6.155 1.00 0.67 C ATOM 1261 CD1 TRP A 114 6.911 -10.213 7.502 1.00 0.80 C ATOM 1262 CD2 TRP A 114 7.332 -8.783 5.827 1.00 0.60 C ATOM 1263 NE1 TRP A 114 7.359 -9.022 8.032 1.00 0.78 N ATOM 1264 CE2 TRP A 114 7.581 -8.083 7.046 1.00 0.66 C ATOM 1265 CE3 TRP A 114 7.528 -8.081 4.619 1.00 0.63 C ATOM 1266 CZ2 TRP A 114 7.944 -6.729 7.063 1.00 0.72 C ATOM 1267 CZ3 TRP A 114 7.903 -6.725 4.626 1.00 0.73 C ATOM 1268 CH2 TRP A 114 8.089 -6.045 5.843 1.00 0.77 C ATOM 0 H TRP A 114 6.280 -13.377 3.969 1.00 0.69 H new ATOM 0 HA TRP A 114 8.343 -11.489 4.134 1.00 0.75 H new ATOM 0 HB2 TRP A 114 6.036 -10.839 4.350 1.00 0.71 H new ATOM 0 HB3 TRP A 114 5.795 -11.893 5.729 1.00 0.71 H new ATOM 0 HD1 TRP A 114 6.625 -11.081 8.077 1.00 0.80 H new ATOM 0 HE1 TRP A 114 7.508 -8.856 9.027 1.00 0.78 H new ATOM 0 HE3 TRP A 114 7.388 -8.591 3.677 1.00 0.63 H new ATOM 0 HZ2 TRP A 114 8.110 -6.218 8.000 1.00 0.72 H new ATOM 0 HZ3 TRP A 114 8.049 -6.203 3.692 1.00 0.73 H new ATOM 0 HH2 TRP A 114 8.344 -4.995 5.841 1.00 0.77 H new ATOM 1279 N ARG A 115 8.295 -13.526 6.742 1.00 0.93 N ATOM 1280 CA ARG A 115 9.108 -13.998 7.893 1.00 1.22 C ATOM 1281 C ARG A 115 10.532 -14.318 7.432 1.00 1.47 C ATOM 1282 O ARG A 115 11.505 -13.873 8.047 1.00 1.87 O ATOM 1283 CB ARG A 115 8.515 -15.237 8.613 1.00 1.42 C ATOM 1284 CG ARG A 115 7.105 -15.070 9.206 1.00 1.39 C ATOM 1285 CD ARG A 115 6.620 -16.281 10.013 1.00 1.72 C ATOM 1286 NE ARG A 115 7.241 -16.338 11.350 1.00 2.39 N ATOM 1287 CZ ARG A 115 6.707 -16.007 12.511 1.00 2.99 C ATOM 1288 NH1 ARG A 115 5.479 -15.595 12.633 1.00 3.51 N ATOM 1289 NH2 ARG A 115 7.438 -16.093 13.584 1.00 3.83 N ATOM 0 H ARG A 115 7.468 -14.096 6.564 1.00 0.93 H new ATOM 0 HA ARG A 115 9.107 -13.182 8.616 1.00 1.22 H new ATOM 0 HB2 ARG A 115 8.493 -16.066 7.906 1.00 1.42 H new ATOM 0 HB3 ARG A 115 9.193 -15.523 9.417 1.00 1.42 H new ATOM 0 HG2 ARG A 115 7.094 -14.190 9.849 1.00 1.39 H new ATOM 0 HG3 ARG A 115 6.401 -14.881 8.395 1.00 1.39 H new ATOM 0 HD2 ARG A 115 5.536 -16.236 10.118 1.00 1.72 H new ATOM 0 HD3 ARG A 115 6.850 -17.196 9.467 1.00 1.72 H new ATOM 0 HE ARG A 115 8.203 -16.675 11.381 1.00 2.39 H new ATOM 0 HH11 ARG A 115 4.883 -15.516 11.809 1.00 3.51 H new ATOM 0 HH12 ARG A 115 5.112 -15.351 13.553 1.00 3.51 H new ATOM 0 HH21 ARG A 115 8.405 -16.411 13.518 1.00 3.83 H new ATOM 0 HH22 ARG A 115 7.044 -15.842 14.491 1.00 3.83 H new ATOM 1303 N GLU A 116 10.624 -15.042 6.316 1.00 1.34 N ATOM 1304 CA GLU A 116 11.871 -15.510 5.714 1.00 1.60 C ATOM 1305 C GLU A 116 12.728 -14.369 5.138 1.00 1.68 C ATOM 1306 O GLU A 116 13.873 -14.210 5.563 1.00 1.95 O ATOM 1307 CB GLU A 116 11.526 -16.577 4.658 1.00 1.74 C ATOM 1308 CG GLU A 116 12.753 -17.301 4.094 1.00 2.71 C ATOM 1309 CD GLU A 116 12.324 -18.442 3.162 1.00 3.17 C ATOM 1310 OE1 GLU A 116 12.277 -19.611 3.614 1.00 3.31 O ATOM 1311 OE2 GLU A 116 12.003 -18.170 1.974 1.00 4.23 O ATOM 0 H GLU A 116 9.800 -15.329 5.787 1.00 1.34 H new ATOM 0 HA GLU A 116 12.495 -15.952 6.491 1.00 1.60 H new ATOM 0 HB2 GLU A 116 10.853 -17.311 5.102 1.00 1.74 H new ATOM 0 HB3 GLU A 116 10.985 -16.104 3.838 1.00 1.74 H new ATOM 0 HG2 GLU A 116 13.380 -16.595 3.549 1.00 2.71 H new ATOM 0 HG3 GLU A 116 13.355 -17.698 4.911 1.00 2.71 H new ATOM 1318 N ASN A 117 12.229 -13.600 4.159 1.00 1.58 N ATOM 1319 CA ASN A 117 12.967 -12.467 3.562 1.00 1.89 C ATOM 1320 C ASN A 117 12.106 -11.265 3.091 1.00 1.89 C ATOM 1321 O ASN A 117 12.639 -10.172 2.885 1.00 2.34 O ATOM 1322 CB ASN A 117 13.835 -13.048 2.425 1.00 2.28 C ATOM 1323 CG ASN A 117 14.843 -12.064 1.857 1.00 2.75 C ATOM 1324 OD1 ASN A 117 15.963 -11.950 2.343 1.00 3.17 O ATOM 1325 ND2 ASN A 117 14.492 -11.333 0.825 1.00 3.52 N ATOM 0 H ASN A 117 11.303 -13.743 3.756 1.00 1.58 H new ATOM 0 HA ASN A 117 13.573 -12.013 4.346 1.00 1.89 H new ATOM 0 HB2 ASN A 117 14.367 -13.923 2.798 1.00 2.28 H new ATOM 0 HB3 ASN A 117 13.183 -13.390 1.621 1.00 2.28 H new ATOM 0 HD21 ASN A 117 15.152 -10.667 0.424 1.00 3.52 H new ATOM 0 HD22 ASN A 117 13.559 -11.431 0.424 1.00 3.52 H new ATOM 1332 N SER A 118 10.803 -11.466 2.859 1.00 1.97 N ATOM 1333 CA SER A 118 10.000 -10.790 1.818 1.00 2.41 C ATOM 1334 C SER A 118 10.518 -11.093 0.400 1.00 2.58 C ATOM 1335 O SER A 118 11.685 -10.839 0.088 1.00 3.42 O ATOM 1336 CB SER A 118 9.864 -9.286 2.071 1.00 3.17 C ATOM 1337 OG SER A 118 8.798 -8.765 1.301 1.00 4.63 O ATOM 0 H SER A 118 10.254 -12.127 3.408 1.00 1.97 H new ATOM 0 HA SER A 118 8.995 -11.207 1.883 1.00 2.41 H new ATOM 0 HB2 SER A 118 9.684 -9.101 3.130 1.00 3.17 H new ATOM 0 HB3 SER A 118 10.793 -8.779 1.812 1.00 3.17 H new ATOM 0 HG SER A 118 8.714 -7.803 1.468 1.00 4.63 H new