USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 793 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 LYS NZ :NH3+ 141:sc= -1.12 (180deg=-2.43!) USER MOD Set 1.2: A 90 GLN : amide:sc= 0.0182 K(o=-1.3,f=-3) USER MOD Set 1.3: A 94 HIS : no HD1:sc= -0.246 K(o=-1.3,f=-4.6) USER MOD Set 2.1: A 74 SER OG : rot 74:sc= 1.34 USER MOD Set 2.2: A 85 GLN : amide:sc= -2.66 X(o=-1.3,f=-0.89!) USER MOD Set 3.1: A 40 THR OG1 : rot -150:sc= 0.632 USER MOD Set 3.2: A 43 GLN : amide:sc= 0.796 K(o=1.4,f=0.039) USER MOD Set 4.1: A 27 LYS NZ :NH3+ 175:sc= -3.7! (180deg=-4.48!) USER MOD Set 4.2: A 31 SER OG : rot -70:sc= 0.618 USER MOD Set 5.1: A 10 HIS : no HE2:sc= 0.203 K(o=1,f=-5.9!) USER MOD Set 5.2: A 11 GLN : amide:sc= 0.805 K(o=1,f=-1.7) USER MOD Single : A 16 MET CE :methyl 177:sc= -0.0751 (180deg=-0.0843) USER MOD Single : A 21 SER OG : rot 77:sc= 0.944 USER MOD Single : A 26 LYS NZ :NH3+ -135:sc= -0.592 (180deg=-3.42!) USER MOD Single : A 32 SER OG : rot 67:sc= 0.925 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -2.32! C(o=-2.3!,f=-3!) USER MOD Single : A 47 LYS NZ :NH3+ -154:sc= 0.204 (180deg=-1.33!) USER MOD Single : A 48 LYS NZ :NH3+ 177:sc= 0.904 (180deg=0.876) USER MOD Single : A 49 HIS : no HE2:sc= 0.322 K(o=0.32,f=-2.7!) USER MOD Single : A 50 LYS NZ :NH3+ -105:sc= 0.157 (180deg=-0.376) USER MOD Single : A 59 HIS : no HE2:sc= -12.5! C(o=-12!,f=-19!) USER MOD Single : A 64 GLN : amide:sc= -0.325 X(o=-0.32,f=-0.42) USER MOD Single : A 69 THR OG1 : rot 81:sc= 1.23 USER MOD Single : A 71 LYS NZ :NH3+ -128:sc= 0.69 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -149:sc= 0.489 (180deg=0.0125) USER MOD Single : A 77 ASN : amide:sc= 0.431 K(o=0.43,f=-2.4) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 81 LYS NZ :NH3+ 160:sc= -0.864 (180deg=-2.17!) USER MOD Single : A 86 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.31) USER MOD Single : A 96 LYS NZ :NH3+ 166:sc= 1.39 (180deg=0.86) USER MOD Single : A 99 LYS NZ :NH3+ -117:sc= -1.38 (180deg=-4.4!) USER MOD Single : A 100 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.3!) USER MOD Single : A 107 GLN :FLIP amide:sc= -0.373 F(o=-1.2,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 10 21.258 -8.566 -14.544 1.00 1.70 N ATOM 2 CA HIS A 10 20.700 -9.910 -14.656 1.00 1.73 C ATOM 3 C HIS A 10 21.730 -10.946 -14.220 1.00 1.58 C ATOM 4 O HIS A 10 21.436 -11.835 -13.420 1.00 1.52 O ATOM 5 CB HIS A 10 20.244 -10.200 -16.086 1.00 2.04 C ATOM 6 CG HIS A 10 19.877 -11.636 -16.302 1.00 2.54 C ATOM 7 ND1 HIS A 10 20.717 -12.565 -16.873 1.00 3.19 N ATOM 8 CD2 HIS A 10 18.738 -12.305 -15.987 1.00 3.29 C ATOM 9 CE1 HIS A 10 20.080 -13.743 -16.888 1.00 4.01 C ATOM 10 NE2 HIS A 10 18.875 -13.641 -16.359 1.00 4.11 N ATOM 0 HA HIS A 10 19.831 -9.969 -14.001 1.00 1.73 H new ATOM 0 HB2 HIS A 10 19.385 -9.572 -16.322 1.00 2.04 H new ATOM 0 HB3 HIS A 10 21.040 -9.926 -16.778 1.00 2.04 H new ATOM 0 HD1 HIS A 10 21.659 -12.388 -17.223 1.00 3.19 H new ATOM 0 HD2 HIS A 10 17.865 -11.871 -15.522 1.00 3.29 H new ATOM 0 HE1 HIS A 10 20.498 -14.658 -17.282 1.00 4.01 H new ATOM 18 N GLN A 11 22.939 -10.822 -14.758 1.00 1.60 N ATOM 19 CA GLN A 11 24.020 -11.739 -14.428 1.00 1.56 C ATOM 20 C GLN A 11 24.165 -11.885 -12.920 1.00 1.29 C ATOM 21 O GLN A 11 24.230 -12.999 -12.411 1.00 1.26 O ATOM 22 CB GLN A 11 25.340 -11.265 -15.039 1.00 1.75 C ATOM 23 CG GLN A 11 25.230 -10.874 -16.505 1.00 2.28 C ATOM 24 CD GLN A 11 24.698 -11.999 -17.376 1.00 3.08 C ATOM 25 OE1 GLN A 11 23.488 -12.154 -17.539 1.00 3.64 O ATOM 26 NE2 GLN A 11 25.604 -12.791 -17.936 1.00 3.73 N ATOM 0 H GLN A 11 23.193 -10.094 -15.425 1.00 1.60 H new ATOM 0 HA GLN A 11 23.771 -12.713 -14.849 1.00 1.56 H new ATOM 0 HB2 GLN A 11 25.707 -10.410 -14.471 1.00 1.75 H new ATOM 0 HB3 GLN A 11 26.082 -12.057 -14.938 1.00 1.75 H new ATOM 0 HG2 GLN A 11 24.574 -10.008 -16.597 1.00 2.28 H new ATOM 0 HG3 GLN A 11 26.211 -10.571 -16.870 1.00 2.28 H new ATOM 0 HE21 GLN A 11 26.597 -12.625 -17.773 1.00 3.73 H new ATOM 0 HE22 GLN A 11 25.307 -13.566 -18.529 1.00 3.73 H new ATOM 35 N PHE A 12 24.207 -10.763 -12.196 1.00 1.14 N ATOM 36 CA PHE A 12 24.342 -10.828 -10.743 1.00 0.98 C ATOM 37 C PHE A 12 23.276 -11.747 -10.166 1.00 0.94 C ATOM 38 O PHE A 12 23.576 -12.647 -9.387 1.00 0.91 O ATOM 39 CB PHE A 12 24.239 -9.444 -10.094 1.00 0.98 C ATOM 40 CG PHE A 12 23.910 -9.520 -8.625 1.00 0.86 C ATOM 41 CD1 PHE A 12 24.907 -9.751 -7.689 1.00 0.83 C ATOM 42 CD2 PHE A 12 22.609 -9.334 -8.177 1.00 0.86 C ATOM 43 CE1 PHE A 12 24.615 -9.801 -6.340 1.00 0.77 C ATOM 44 CE2 PHE A 12 22.314 -9.380 -6.829 1.00 0.82 C ATOM 45 CZ PHE A 12 23.289 -9.707 -5.921 1.00 0.76 C ATOM 0 H PHE A 12 24.151 -9.821 -12.583 1.00 1.14 H new ATOM 0 HA PHE A 12 25.333 -11.224 -10.522 1.00 0.98 H new ATOM 0 HB2 PHE A 12 25.182 -8.913 -10.225 1.00 0.98 H new ATOM 0 HB3 PHE A 12 23.472 -8.862 -10.605 1.00 0.98 H new ATOM 0 HD1 PHE A 12 25.925 -9.894 -8.019 1.00 0.83 H new ATOM 0 HD2 PHE A 12 21.819 -9.151 -8.891 1.00 0.86 H new ATOM 0 HE1 PHE A 12 25.408 -9.912 -5.615 1.00 0.77 H new ATOM 0 HE2 PHE A 12 21.313 -9.158 -6.489 1.00 0.82 H new ATOM 0 HZ PHE A 12 23.031 -9.890 -4.888 1.00 0.76 H new ATOM 55 N PHE A 13 22.027 -11.524 -10.567 1.00 1.03 N ATOM 56 CA PHE A 13 20.921 -12.349 -10.096 1.00 1.16 C ATOM 57 C PHE A 13 21.288 -13.820 -10.221 1.00 1.12 C ATOM 58 O PHE A 13 21.144 -14.595 -9.273 1.00 1.08 O ATOM 59 CB PHE A 13 19.649 -12.053 -10.900 1.00 1.42 C ATOM 60 CG PHE A 13 18.377 -12.254 -10.124 1.00 1.67 C ATOM 61 CD1 PHE A 13 18.021 -13.513 -9.665 1.00 2.16 C ATOM 62 CD2 PHE A 13 17.539 -11.185 -9.853 1.00 1.91 C ATOM 63 CE1 PHE A 13 16.854 -13.700 -8.948 1.00 2.70 C ATOM 64 CE2 PHE A 13 16.370 -11.365 -9.137 1.00 2.42 C ATOM 65 CZ PHE A 13 16.027 -12.624 -8.684 1.00 2.77 C ATOM 0 H PHE A 13 21.758 -10.783 -11.214 1.00 1.03 H new ATOM 0 HA PHE A 13 20.729 -12.115 -9.049 1.00 1.16 H new ATOM 0 HB2 PHE A 13 19.687 -11.023 -11.256 1.00 1.42 H new ATOM 0 HB3 PHE A 13 19.631 -12.694 -11.781 1.00 1.42 H new ATOM 0 HD1 PHE A 13 18.663 -14.357 -9.870 1.00 2.16 H new ATOM 0 HD2 PHE A 13 17.802 -10.199 -10.205 1.00 1.91 H new ATOM 0 HE1 PHE A 13 16.589 -14.685 -8.595 1.00 2.70 H new ATOM 0 HE2 PHE A 13 15.726 -10.523 -8.932 1.00 2.42 H new ATOM 0 HZ PHE A 13 15.114 -12.768 -8.125 1.00 2.77 H new ATOM 75 N ARG A 14 21.784 -14.192 -11.398 1.00 1.21 N ATOM 76 CA ARG A 14 22.195 -15.565 -11.648 1.00 1.30 C ATOM 77 C ARG A 14 23.324 -15.955 -10.704 1.00 1.14 C ATOM 78 O ARG A 14 23.249 -16.980 -10.039 1.00 1.12 O ATOM 79 CB ARG A 14 22.623 -15.755 -13.110 1.00 1.55 C ATOM 80 CG ARG A 14 22.305 -17.139 -13.665 1.00 1.71 C ATOM 81 CD ARG A 14 21.185 -17.107 -14.703 1.00 2.48 C ATOM 82 NE ARG A 14 20.176 -16.081 -14.425 1.00 2.80 N ATOM 83 CZ ARG A 14 19.425 -16.050 -13.328 1.00 3.53 C ATOM 84 NH1 ARG A 14 19.565 -16.997 -12.410 1.00 3.79 N ATOM 85 NH2 ARG A 14 18.553 -15.069 -13.143 1.00 4.35 N ATOM 0 H ARG A 14 21.910 -13.562 -12.190 1.00 1.21 H new ATOM 0 HA ARG A 14 21.342 -16.217 -11.462 1.00 1.30 H new ATOM 0 HB2 ARG A 14 22.128 -15.004 -13.725 1.00 1.55 H new ATOM 0 HB3 ARG A 14 23.695 -15.578 -13.192 1.00 1.55 H new ATOM 0 HG2 ARG A 14 23.203 -17.562 -14.116 1.00 1.71 H new ATOM 0 HG3 ARG A 14 22.019 -17.799 -12.846 1.00 1.71 H new ATOM 0 HD2 ARG A 14 21.615 -16.928 -15.688 1.00 2.48 H new ATOM 0 HD3 ARG A 14 20.702 -18.084 -14.739 1.00 2.48 H new ATOM 0 HE ARG A 14 20.041 -15.344 -15.117 1.00 2.80 H new ATOM 0 HH11 ARG A 14 20.246 -17.744 -12.547 1.00 3.79 H new ATOM 0 HH12 ARG A 14 18.992 -16.978 -11.567 1.00 3.79 H new ATOM 0 HH21 ARG A 14 18.456 -14.334 -13.844 1.00 4.35 H new ATOM 0 HH22 ARG A 14 17.979 -15.049 -12.300 1.00 4.35 H new ATOM 99 N ASP A 15 24.361 -15.125 -10.640 1.00 1.12 N ATOM 100 CA ASP A 15 25.495 -15.387 -9.756 1.00 1.14 C ATOM 101 C ASP A 15 25.002 -15.675 -8.339 1.00 1.00 C ATOM 102 O ASP A 15 25.464 -16.611 -7.691 1.00 1.05 O ATOM 103 CB ASP A 15 26.462 -14.195 -9.736 1.00 1.29 C ATOM 104 CG ASP A 15 26.768 -13.649 -11.123 1.00 1.49 C ATOM 105 OD1 ASP A 15 26.568 -14.382 -12.116 1.00 1.84 O ATOM 106 OD2 ASP A 15 27.217 -12.486 -11.214 1.00 2.10 O ATOM 0 H ASP A 15 24.441 -14.268 -11.187 1.00 1.12 H new ATOM 0 HA ASP A 15 26.027 -16.258 -10.137 1.00 1.14 H new ATOM 0 HB2 ASP A 15 26.035 -13.399 -9.125 1.00 1.29 H new ATOM 0 HB3 ASP A 15 27.393 -14.499 -9.258 1.00 1.29 H new ATOM 111 N MET A 16 24.051 -14.868 -7.871 1.00 0.93 N ATOM 112 CA MET A 16 23.485 -15.033 -6.535 1.00 0.98 C ATOM 113 C MET A 16 22.945 -16.449 -6.354 1.00 0.88 C ATOM 114 O MET A 16 23.391 -17.195 -5.479 1.00 0.88 O ATOM 115 CB MET A 16 22.364 -14.014 -6.305 1.00 1.15 C ATOM 116 CG MET A 16 22.619 -13.075 -5.137 1.00 1.45 C ATOM 117 SD MET A 16 21.180 -12.067 -4.733 1.00 1.92 S ATOM 118 CE MET A 16 21.610 -11.499 -3.092 1.00 2.23 C ATOM 0 H MET A 16 23.656 -14.091 -8.400 1.00 0.93 H new ATOM 0 HA MET A 16 24.275 -14.863 -5.803 1.00 0.98 H new ATOM 0 HB2 MET A 16 22.231 -13.424 -7.211 1.00 1.15 H new ATOM 0 HB3 MET A 16 21.430 -14.548 -6.132 1.00 1.15 H new ATOM 0 HG2 MET A 16 22.907 -13.658 -4.262 1.00 1.45 H new ATOM 0 HG3 MET A 16 23.459 -12.423 -5.376 1.00 1.45 H new ATOM 0 HE1 MET A 16 20.839 -10.819 -2.729 1.00 2.23 H new ATOM 0 HE2 MET A 16 21.687 -12.354 -2.420 1.00 2.23 H new ATOM 0 HE3 MET A 16 22.567 -10.978 -3.126 1.00 2.23 H new ATOM 128 N ASP A 17 21.982 -16.815 -7.198 1.00 0.91 N ATOM 129 CA ASP A 17 21.381 -18.141 -7.140 1.00 0.97 C ATOM 130 C ASP A 17 22.460 -19.214 -7.268 1.00 0.88 C ATOM 131 O ASP A 17 22.441 -20.218 -6.561 1.00 0.86 O ATOM 132 CB ASP A 17 20.334 -18.306 -8.249 1.00 1.19 C ATOM 133 CG ASP A 17 20.385 -19.673 -8.917 1.00 1.80 C ATOM 134 OD1 ASP A 17 21.481 -20.275 -8.971 1.00 2.44 O ATOM 135 OD2 ASP A 17 19.326 -20.142 -9.389 1.00 2.46 O ATOM 0 H ASP A 17 21.604 -16.211 -7.928 1.00 0.91 H new ATOM 0 HA ASP A 17 20.884 -18.255 -6.177 1.00 0.97 H new ATOM 0 HB2 ASP A 17 19.340 -18.150 -7.829 1.00 1.19 H new ATOM 0 HB3 ASP A 17 20.486 -17.534 -9.003 1.00 1.19 H new ATOM 140 N ASP A 18 23.404 -18.981 -8.174 1.00 0.95 N ATOM 141 CA ASP A 18 24.502 -19.912 -8.401 1.00 1.09 C ATOM 142 C ASP A 18 25.294 -20.127 -7.118 1.00 1.01 C ATOM 143 O ASP A 18 25.653 -21.256 -6.785 1.00 1.05 O ATOM 144 CB ASP A 18 25.420 -19.388 -9.511 1.00 1.33 C ATOM 145 CG ASP A 18 24.908 -19.724 -10.903 1.00 1.90 C ATOM 146 OD1 ASP A 18 23.672 -19.789 -11.087 1.00 2.49 O ATOM 147 OD2 ASP A 18 25.743 -19.917 -11.811 1.00 2.48 O ATOM 0 H ASP A 18 23.430 -18.150 -8.766 1.00 0.95 H new ATOM 0 HA ASP A 18 24.085 -20.869 -8.713 1.00 1.09 H new ATOM 0 HB2 ASP A 18 25.518 -18.307 -9.416 1.00 1.33 H new ATOM 0 HB3 ASP A 18 26.416 -19.811 -9.383 1.00 1.33 H new ATOM 152 N GLU A 19 25.543 -19.044 -6.388 1.00 1.02 N ATOM 153 CA GLU A 19 26.273 -19.125 -5.128 1.00 1.12 C ATOM 154 C GLU A 19 25.474 -19.967 -4.137 1.00 0.89 C ATOM 155 O GLU A 19 25.967 -20.967 -3.607 1.00 0.88 O ATOM 156 CB GLU A 19 26.536 -17.720 -4.565 1.00 1.38 C ATOM 157 CG GLU A 19 27.341 -17.707 -3.269 1.00 2.04 C ATOM 158 CD GLU A 19 28.788 -17.296 -3.471 1.00 2.53 C ATOM 159 OE1 GLU A 19 29.023 -16.162 -3.936 1.00 3.07 O ATOM 160 OE2 GLU A 19 29.686 -18.101 -3.147 1.00 3.02 O ATOM 0 H GLU A 19 25.250 -18.102 -6.647 1.00 1.02 H new ATOM 0 HA GLU A 19 27.239 -19.599 -5.300 1.00 1.12 H new ATOM 0 HB2 GLU A 19 27.066 -17.134 -5.315 1.00 1.38 H new ATOM 0 HB3 GLU A 19 25.580 -17.226 -4.391 1.00 1.38 H new ATOM 0 HG2 GLU A 19 26.870 -17.023 -2.563 1.00 2.04 H new ATOM 0 HG3 GLU A 19 27.311 -18.700 -2.820 1.00 2.04 H new ATOM 167 N GLU A 20 24.223 -19.567 -3.904 1.00 0.84 N ATOM 168 CA GLU A 20 23.352 -20.307 -2.999 1.00 0.84 C ATOM 169 C GLU A 20 23.439 -21.800 -3.300 1.00 0.73 C ATOM 170 O GLU A 20 23.604 -22.616 -2.394 1.00 0.78 O ATOM 171 CB GLU A 20 21.902 -19.826 -3.121 1.00 1.03 C ATOM 172 CG GLU A 20 21.130 -19.878 -1.809 1.00 1.61 C ATOM 173 CD GLU A 20 20.869 -21.298 -1.336 1.00 1.98 C ATOM 174 OE1 GLU A 20 19.916 -21.925 -1.844 1.00 2.50 O ATOM 175 OE2 GLU A 20 21.616 -21.784 -0.460 1.00 2.49 O ATOM 0 H GLU A 20 23.796 -18.742 -4.326 1.00 0.84 H new ATOM 0 HA GLU A 20 23.684 -20.128 -1.976 1.00 0.84 H new ATOM 0 HB2 GLU A 20 21.898 -18.802 -3.495 1.00 1.03 H new ATOM 0 HB3 GLU A 20 21.386 -20.438 -3.861 1.00 1.03 H new ATOM 0 HG2 GLU A 20 21.689 -19.341 -1.042 1.00 1.61 H new ATOM 0 HG3 GLU A 20 20.179 -19.360 -1.931 1.00 1.61 H new ATOM 182 N SER A 21 23.348 -22.151 -4.584 1.00 0.75 N ATOM 183 CA SER A 21 23.440 -23.532 -5.003 1.00 0.89 C ATOM 184 C SER A 21 24.787 -24.121 -4.589 1.00 0.84 C ATOM 185 O SER A 21 24.845 -25.201 -4.004 1.00 0.91 O ATOM 186 CB SER A 21 23.263 -23.614 -6.515 1.00 1.14 C ATOM 187 OG SER A 21 22.053 -23.000 -6.920 1.00 1.59 O ATOM 0 H SER A 21 23.210 -21.488 -5.347 1.00 0.75 H new ATOM 0 HA SER A 21 22.652 -24.110 -4.520 1.00 0.89 H new ATOM 0 HB2 SER A 21 24.104 -23.129 -7.010 1.00 1.14 H new ATOM 0 HB3 SER A 21 23.268 -24.658 -6.829 1.00 1.14 H new ATOM 0 HG SER A 21 22.160 -22.026 -6.907 1.00 1.59 H new ATOM 193 N TRP A 22 25.866 -23.388 -4.875 1.00 0.91 N ATOM 194 CA TRP A 22 27.218 -23.830 -4.523 1.00 1.05 C ATOM 195 C TRP A 22 27.316 -24.125 -3.028 1.00 0.87 C ATOM 196 O TRP A 22 27.979 -25.069 -2.625 1.00 0.92 O ATOM 197 CB TRP A 22 28.259 -22.780 -4.935 1.00 1.38 C ATOM 198 CG TRP A 22 29.527 -22.830 -4.131 1.00 1.53 C ATOM 199 CD1 TRP A 22 30.612 -23.638 -4.340 1.00 2.19 C ATOM 200 CD2 TRP A 22 29.841 -22.035 -2.988 1.00 1.39 C ATOM 201 NE1 TRP A 22 31.571 -23.388 -3.384 1.00 2.16 N ATOM 202 CE2 TRP A 22 31.122 -22.407 -2.559 1.00 1.65 C ATOM 203 CE3 TRP A 22 29.164 -21.040 -2.284 1.00 1.73 C ATOM 204 CZ2 TRP A 22 31.737 -21.823 -1.472 1.00 1.79 C ATOM 205 CZ3 TRP A 22 29.777 -20.463 -1.200 1.00 2.24 C ATOM 206 CH2 TRP A 22 31.052 -20.855 -0.806 1.00 2.11 C ATOM 0 H TRP A 22 25.830 -22.486 -5.349 1.00 0.91 H new ATOM 0 HA TRP A 22 27.427 -24.750 -5.069 1.00 1.05 H new ATOM 0 HB2 TRP A 22 28.503 -22.919 -5.988 1.00 1.38 H new ATOM 0 HB3 TRP A 22 27.818 -21.788 -4.838 1.00 1.38 H new ATOM 0 HD1 TRP A 22 30.702 -24.363 -5.135 1.00 2.19 H new ATOM 0 HE1 TRP A 22 32.471 -23.862 -3.308 1.00 2.16 H new ATOM 0 HE3 TRP A 22 28.175 -20.729 -2.586 1.00 1.73 H new ATOM 0 HZ2 TRP A 22 32.727 -22.123 -1.161 1.00 1.79 H new ATOM 0 HZ3 TRP A 22 29.262 -19.693 -0.645 1.00 2.24 H new ATOM 0 HH2 TRP A 22 31.509 -20.379 0.049 1.00 2.11 H new ATOM 217 N ILE A 23 26.663 -23.303 -2.209 1.00 0.80 N ATOM 218 CA ILE A 23 26.671 -23.495 -0.765 1.00 0.90 C ATOM 219 C ILE A 23 25.998 -24.812 -0.411 1.00 0.87 C ATOM 220 O ILE A 23 26.589 -25.656 0.248 1.00 0.95 O ATOM 221 CB ILE A 23 25.970 -22.328 -0.027 1.00 1.16 C ATOM 222 CG1 ILE A 23 26.971 -21.208 0.263 1.00 1.34 C ATOM 223 CG2 ILE A 23 25.321 -22.802 1.271 1.00 1.46 C ATOM 224 CD1 ILE A 23 28.166 -21.652 1.079 1.00 1.92 C ATOM 0 H ILE A 23 26.122 -22.498 -2.524 1.00 0.80 H new ATOM 0 HA ILE A 23 27.711 -23.517 -0.440 1.00 0.90 H new ATOM 0 HB ILE A 23 25.183 -21.945 -0.677 1.00 1.16 H new ATOM 0 HG12 ILE A 23 27.322 -20.794 -0.682 1.00 1.34 H new ATOM 0 HG13 ILE A 23 26.459 -20.405 0.793 1.00 1.34 H new ATOM 0 HG21 ILE A 23 24.838 -21.959 1.765 1.00 1.46 H new ATOM 0 HG22 ILE A 23 24.577 -23.567 1.048 1.00 1.46 H new ATOM 0 HG23 ILE A 23 26.084 -23.219 1.928 1.00 1.46 H new ATOM 0 HD11 ILE A 23 28.830 -20.803 1.243 1.00 1.92 H new ATOM 0 HD12 ILE A 23 27.827 -22.039 2.040 1.00 1.92 H new ATOM 0 HD13 ILE A 23 28.703 -22.434 0.542 1.00 1.92 H new ATOM 236 N LYS A 24 24.766 -24.993 -0.873 1.00 0.92 N ATOM 237 CA LYS A 24 24.038 -26.230 -0.610 1.00 1.18 C ATOM 238 C LYS A 24 24.887 -27.426 -1.029 1.00 1.21 C ATOM 239 O LYS A 24 24.989 -28.419 -0.309 1.00 1.38 O ATOM 240 CB LYS A 24 22.704 -26.240 -1.364 1.00 1.40 C ATOM 241 CG LYS A 24 21.912 -24.942 -1.238 1.00 2.00 C ATOM 242 CD LYS A 24 20.708 -25.099 -0.315 1.00 2.68 C ATOM 243 CE LYS A 24 21.118 -25.147 1.150 1.00 3.24 C ATOM 244 NZ LYS A 24 22.111 -24.090 1.490 1.00 3.58 N ATOM 0 H LYS A 24 24.254 -24.306 -1.427 1.00 0.92 H new ATOM 0 HA LYS A 24 23.829 -26.294 0.458 1.00 1.18 H new ATOM 0 HB2 LYS A 24 22.896 -26.436 -2.419 1.00 1.40 H new ATOM 0 HB3 LYS A 24 22.094 -27.064 -0.993 1.00 1.40 H new ATOM 0 HG2 LYS A 24 22.562 -24.155 -0.856 1.00 2.00 H new ATOM 0 HG3 LYS A 24 21.574 -24.625 -2.225 1.00 2.00 H new ATOM 0 HD2 LYS A 24 20.019 -24.269 -0.472 1.00 2.68 H new ATOM 0 HD3 LYS A 24 20.170 -26.012 -0.572 1.00 2.68 H new ATOM 0 HE2 LYS A 24 20.234 -25.029 1.777 1.00 3.24 H new ATOM 0 HE3 LYS A 24 21.540 -26.126 1.376 1.00 3.24 H new ATOM 0 HZ1 LYS A 24 21.898 -23.703 2.432 1.00 3.58 H new ATOM 0 HZ2 LYS A 24 23.067 -24.500 1.492 1.00 3.58 H new ATOM 0 HZ3 LYS A 24 22.063 -23.328 0.784 1.00 3.58 H new ATOM 258 N GLU A 25 25.518 -27.302 -2.193 1.00 1.18 N ATOM 259 CA GLU A 25 26.385 -28.349 -2.720 1.00 1.40 C ATOM 260 C GLU A 25 27.599 -28.529 -1.816 1.00 1.37 C ATOM 261 O GLU A 25 27.983 -29.652 -1.490 1.00 1.59 O ATOM 262 CB GLU A 25 26.833 -27.995 -4.144 1.00 1.58 C ATOM 263 CG GLU A 25 27.994 -28.839 -4.661 1.00 2.34 C ATOM 264 CD GLU A 25 27.557 -29.905 -5.655 1.00 2.86 C ATOM 265 OE1 GLU A 25 26.521 -30.560 -5.413 1.00 3.26 O ATOM 266 OE2 GLU A 25 28.254 -30.082 -6.677 1.00 3.45 O ATOM 0 H GLU A 25 25.443 -26.480 -2.792 1.00 1.18 H new ATOM 0 HA GLU A 25 25.828 -29.286 -2.750 1.00 1.40 H new ATOM 0 HB2 GLU A 25 25.985 -28.111 -4.819 1.00 1.58 H new ATOM 0 HB3 GLU A 25 27.121 -26.944 -4.172 1.00 1.58 H new ATOM 0 HG2 GLU A 25 28.727 -28.187 -5.135 1.00 2.34 H new ATOM 0 HG3 GLU A 25 28.491 -29.318 -3.818 1.00 2.34 H new ATOM 273 N LYS A 26 28.197 -27.412 -1.416 1.00 1.19 N ATOM 274 CA LYS A 26 29.361 -27.441 -0.549 1.00 1.29 C ATOM 275 C LYS A 26 29.010 -28.134 0.766 1.00 1.31 C ATOM 276 O LYS A 26 29.738 -29.010 1.229 1.00 1.49 O ATOM 277 CB LYS A 26 29.901 -26.017 -0.309 1.00 1.34 C ATOM 278 CG LYS A 26 31.417 -25.975 -0.178 1.00 1.63 C ATOM 279 CD LYS A 26 31.906 -26.652 1.099 1.00 2.01 C ATOM 280 CE LYS A 26 32.680 -27.930 0.797 1.00 2.27 C ATOM 281 NZ LYS A 26 33.213 -28.572 2.033 1.00 2.77 N ATOM 0 H LYS A 26 27.891 -26.476 -1.681 1.00 1.19 H new ATOM 0 HA LYS A 26 30.153 -28.010 -1.036 1.00 1.29 H new ATOM 0 HB2 LYS A 26 29.594 -25.373 -1.133 1.00 1.34 H new ATOM 0 HB3 LYS A 26 29.451 -25.611 0.597 1.00 1.34 H new ATOM 0 HG2 LYS A 26 31.868 -26.464 -1.042 1.00 1.63 H new ATOM 0 HG3 LYS A 26 31.752 -24.938 -0.188 1.00 1.63 H new ATOM 0 HD2 LYS A 26 32.542 -25.964 1.655 1.00 2.01 H new ATOM 0 HD3 LYS A 26 31.054 -26.885 1.737 1.00 2.01 H new ATOM 0 HE2 LYS A 26 32.029 -28.633 0.277 1.00 2.27 H new ATOM 0 HE3 LYS A 26 33.506 -27.702 0.123 1.00 2.27 H new ATOM 0 HZ1 LYS A 26 34.200 -28.859 1.877 1.00 2.77 H new ATOM 0 HZ2 LYS A 26 33.170 -27.896 2.822 1.00 2.77 H new ATOM 0 HZ3 LYS A 26 32.641 -29.410 2.263 1.00 2.77 H new ATOM 295 N LYS A 27 27.871 -27.758 1.347 1.00 1.25 N ATOM 296 CA LYS A 27 27.405 -28.363 2.591 1.00 1.48 C ATOM 297 C LYS A 27 27.326 -29.878 2.432 1.00 1.65 C ATOM 298 O LYS A 27 27.782 -30.633 3.291 1.00 1.84 O ATOM 299 CB LYS A 27 26.031 -27.799 2.973 1.00 1.61 C ATOM 300 CG LYS A 27 25.294 -28.623 4.021 1.00 2.10 C ATOM 301 CD LYS A 27 24.302 -29.586 3.382 1.00 2.50 C ATOM 302 CE LYS A 27 23.610 -30.461 4.420 1.00 3.05 C ATOM 303 NZ LYS A 27 24.541 -30.900 5.497 1.00 3.62 N ATOM 0 H LYS A 27 27.254 -27.036 0.974 1.00 1.25 H new ATOM 0 HA LYS A 27 28.112 -28.126 3.386 1.00 1.48 H new ATOM 0 HB2 LYS A 27 26.158 -26.783 3.347 1.00 1.61 H new ATOM 0 HB3 LYS A 27 25.414 -27.734 2.077 1.00 1.61 H new ATOM 0 HG2 LYS A 27 26.015 -29.184 4.616 1.00 2.10 H new ATOM 0 HG3 LYS A 27 24.767 -27.957 4.704 1.00 2.10 H new ATOM 0 HD2 LYS A 27 23.554 -29.021 2.827 1.00 2.50 H new ATOM 0 HD3 LYS A 27 24.822 -30.219 2.663 1.00 2.50 H new ATOM 0 HE2 LYS A 27 22.780 -29.910 4.862 1.00 3.05 H new ATOM 0 HE3 LYS A 27 23.186 -31.337 3.929 1.00 3.05 H new ATOM 0 HZ1 LYS A 27 24.010 -31.421 6.224 1.00 3.62 H new ATOM 0 HZ2 LYS A 27 25.273 -31.519 5.093 1.00 3.62 H new ATOM 0 HZ3 LYS A 27 24.991 -30.067 5.928 1.00 3.62 H new ATOM 317 N LEU A 28 26.745 -30.316 1.318 1.00 1.65 N ATOM 318 CA LEU A 28 26.615 -31.739 1.038 1.00 1.92 C ATOM 319 C LEU A 28 27.983 -32.405 1.107 1.00 1.96 C ATOM 320 O LEU A 28 28.138 -33.476 1.693 1.00 2.16 O ATOM 321 CB LEU A 28 25.992 -31.955 -0.345 1.00 2.05 C ATOM 322 CG LEU A 28 25.722 -33.417 -0.720 1.00 2.51 C ATOM 323 CD1 LEU A 28 24.436 -33.533 -1.526 1.00 2.78 C ATOM 324 CD2 LEU A 28 26.895 -33.998 -1.499 1.00 3.19 C ATOM 0 H LEU A 28 26.358 -29.706 0.598 1.00 1.65 H new ATOM 0 HA LEU A 28 25.962 -32.188 1.786 1.00 1.92 H new ATOM 0 HB2 LEU A 28 25.052 -31.405 -0.392 1.00 2.05 H new ATOM 0 HB3 LEU A 28 26.653 -31.521 -1.095 1.00 2.05 H new ATOM 0 HG LEU A 28 25.605 -33.990 0.200 1.00 2.51 H new ATOM 0 HD11 LEU A 28 24.261 -34.578 -1.783 1.00 2.78 H new ATOM 0 HD12 LEU A 28 23.600 -33.160 -0.934 1.00 2.78 H new ATOM 0 HD13 LEU A 28 24.525 -32.945 -2.439 1.00 2.78 H new ATOM 0 HD21 LEU A 28 26.683 -35.036 -1.755 1.00 3.19 H new ATOM 0 HD22 LEU A 28 27.046 -33.422 -2.412 1.00 3.19 H new ATOM 0 HD23 LEU A 28 27.796 -33.952 -0.888 1.00 3.19 H new ATOM 336 N LEU A 29 28.975 -31.750 0.511 1.00 1.84 N ATOM 337 CA LEU A 29 30.339 -32.264 0.507 1.00 2.00 C ATOM 338 C LEU A 29 30.848 -32.428 1.935 1.00 2.03 C ATOM 339 O LEU A 29 31.416 -33.458 2.280 1.00 2.24 O ATOM 340 CB LEU A 29 31.266 -31.328 -0.280 1.00 2.00 C ATOM 341 CG LEU A 29 32.035 -31.988 -1.430 1.00 2.43 C ATOM 342 CD1 LEU A 29 32.844 -30.950 -2.195 1.00 3.02 C ATOM 343 CD2 LEU A 29 32.944 -33.093 -0.907 1.00 3.08 C ATOM 0 H LEU A 29 28.859 -30.861 0.024 1.00 1.84 H new ATOM 0 HA LEU A 29 30.337 -33.239 0.021 1.00 2.00 H new ATOM 0 HB2 LEU A 29 30.671 -30.509 -0.685 1.00 2.00 H new ATOM 0 HB3 LEU A 29 31.985 -30.888 0.412 1.00 2.00 H new ATOM 0 HG LEU A 29 31.312 -32.435 -2.112 1.00 2.43 H new ATOM 0 HD11 LEU A 29 33.384 -31.436 -3.008 1.00 3.02 H new ATOM 0 HD12 LEU A 29 32.173 -30.196 -2.605 1.00 3.02 H new ATOM 0 HD13 LEU A 29 33.556 -30.474 -1.521 1.00 3.02 H new ATOM 0 HD21 LEU A 29 33.480 -33.548 -1.740 1.00 3.08 H new ATOM 0 HD22 LEU A 29 33.660 -32.672 -0.201 1.00 3.08 H new ATOM 0 HD23 LEU A 29 32.343 -33.851 -0.405 1.00 3.08 H new ATOM 355 N VAL A 30 30.627 -31.412 2.767 1.00 1.90 N ATOM 356 CA VAL A 30 31.057 -31.467 4.162 1.00 2.05 C ATOM 357 C VAL A 30 30.544 -32.743 4.817 1.00 2.27 C ATOM 358 O VAL A 30 31.267 -33.417 5.553 1.00 2.48 O ATOM 359 CB VAL A 30 30.557 -30.248 4.970 1.00 2.03 C ATOM 360 CG1 VAL A 30 31.128 -30.270 6.383 1.00 2.35 C ATOM 361 CG2 VAL A 30 30.911 -28.945 4.266 1.00 2.26 C ATOM 0 H VAL A 30 30.156 -30.547 2.502 1.00 1.90 H new ATOM 0 HA VAL A 30 32.147 -31.454 4.164 1.00 2.05 H new ATOM 0 HB VAL A 30 29.471 -30.309 5.038 1.00 2.03 H new ATOM 0 HG11 VAL A 30 30.764 -29.404 6.936 1.00 2.35 H new ATOM 0 HG12 VAL A 30 30.812 -31.182 6.889 1.00 2.35 H new ATOM 0 HG13 VAL A 30 32.217 -30.240 6.336 1.00 2.35 H new ATOM 0 HG21 VAL A 30 30.548 -28.103 4.855 1.00 2.26 H new ATOM 0 HG22 VAL A 30 31.993 -28.872 4.158 1.00 2.26 H new ATOM 0 HG23 VAL A 30 30.446 -28.926 3.281 1.00 2.26 H new ATOM 371 N SER A 31 29.286 -33.068 4.530 1.00 2.30 N ATOM 372 CA SER A 31 28.655 -34.265 5.071 1.00 2.61 C ATOM 373 C SER A 31 29.231 -35.520 4.419 1.00 2.74 C ATOM 374 O SER A 31 29.249 -36.595 5.018 1.00 3.01 O ATOM 375 CB SER A 31 27.139 -34.209 4.851 1.00 2.70 C ATOM 376 OG SER A 31 26.656 -32.876 4.929 1.00 2.71 O ATOM 0 H SER A 31 28.682 -32.515 3.922 1.00 2.30 H new ATOM 0 HA SER A 31 28.858 -34.306 6.141 1.00 2.61 H new ATOM 0 HB2 SER A 31 26.895 -34.630 3.876 1.00 2.70 H new ATOM 0 HB3 SER A 31 26.638 -34.824 5.598 1.00 2.70 H new ATOM 0 HG SER A 31 26.709 -32.563 5.856 1.00 2.71 H new ATOM 382 N SER A 32 29.697 -35.367 3.182 1.00 2.63 N ATOM 383 CA SER A 32 30.276 -36.473 2.426 1.00 2.85 C ATOM 384 C SER A 32 31.672 -36.817 2.945 1.00 2.93 C ATOM 385 O SER A 32 32.036 -37.990 3.045 1.00 3.19 O ATOM 386 CB SER A 32 30.341 -36.107 0.940 1.00 2.84 C ATOM 387 OG SER A 32 29.048 -35.855 0.421 1.00 3.16 O ATOM 0 H SER A 32 29.684 -34.480 2.679 1.00 2.63 H new ATOM 0 HA SER A 32 29.641 -37.350 2.554 1.00 2.85 H new ATOM 0 HB2 SER A 32 30.968 -35.226 0.806 1.00 2.84 H new ATOM 0 HB3 SER A 32 30.808 -36.919 0.382 1.00 2.84 H new ATOM 0 HG SER A 32 28.684 -35.042 0.829 1.00 3.16 H new ATOM 393 N GLU A 33 32.445 -35.786 3.265 1.00 2.79 N ATOM 394 CA GLU A 33 33.802 -35.960 3.772 1.00 2.95 C ATOM 395 C GLU A 33 33.780 -36.418 5.230 1.00 3.13 C ATOM 396 O GLU A 33 33.805 -35.597 6.148 1.00 3.53 O ATOM 397 CB GLU A 33 34.588 -34.650 3.646 1.00 3.57 C ATOM 398 CG GLU A 33 34.524 -34.020 2.260 1.00 3.89 C ATOM 399 CD GLU A 33 34.799 -32.527 2.283 1.00 3.97 C ATOM 400 OE1 GLU A 33 35.975 -32.146 2.457 1.00 4.37 O ATOM 401 OE2 GLU A 33 33.842 -31.736 2.128 1.00 4.15 O ATOM 0 H GLU A 33 32.152 -34.812 3.181 1.00 2.79 H new ATOM 0 HA GLU A 33 34.294 -36.728 3.175 1.00 2.95 H new ATOM 0 HB2 GLU A 33 34.205 -33.937 4.376 1.00 3.57 H new ATOM 0 HB3 GLU A 33 35.631 -34.838 3.901 1.00 3.57 H new ATOM 0 HG2 GLU A 33 35.249 -34.509 1.609 1.00 3.89 H new ATOM 0 HG3 GLU A 33 33.538 -34.197 1.830 1.00 3.89 H new ATOM 408 N ASP A 34 33.729 -37.733 5.432 1.00 3.39 N ATOM 409 CA ASP A 34 33.701 -38.306 6.776 1.00 4.20 C ATOM 410 C ASP A 34 35.048 -38.928 7.129 1.00 4.34 C ATOM 411 O ASP A 34 35.794 -39.347 6.244 1.00 4.57 O ATOM 412 CB ASP A 34 32.597 -39.364 6.881 1.00 4.70 C ATOM 413 CG ASP A 34 32.411 -40.149 5.594 1.00 4.63 C ATOM 414 OD1 ASP A 34 32.552 -39.553 4.505 1.00 4.83 O ATOM 415 OD2 ASP A 34 32.124 -41.361 5.677 1.00 4.85 O ATOM 0 H ASP A 34 33.706 -38.423 4.681 1.00 3.39 H new ATOM 0 HA ASP A 34 33.494 -37.502 7.482 1.00 4.20 H new ATOM 0 HB2 ASP A 34 32.836 -40.053 7.691 1.00 4.70 H new ATOM 0 HB3 ASP A 34 31.658 -38.878 7.144 1.00 4.70 H new ATOM 420 N TYR A 35 35.341 -38.987 8.430 1.00 4.62 N ATOM 421 CA TYR A 35 36.595 -39.558 8.934 1.00 5.01 C ATOM 422 C TYR A 35 37.735 -39.390 7.926 1.00 4.75 C ATOM 423 O TYR A 35 38.331 -38.317 7.824 1.00 5.05 O ATOM 424 CB TYR A 35 36.402 -41.042 9.274 1.00 5.66 C ATOM 425 CG TYR A 35 35.357 -41.287 10.339 1.00 6.44 C ATOM 426 CD1 TYR A 35 35.639 -41.070 11.681 1.00 6.97 C ATOM 427 CD2 TYR A 35 34.089 -41.744 10.001 1.00 6.95 C ATOM 428 CE1 TYR A 35 34.689 -41.303 12.655 1.00 7.94 C ATOM 429 CE2 TYR A 35 33.136 -41.981 10.971 1.00 7.93 C ATOM 430 CZ TYR A 35 33.430 -41.717 12.295 1.00 8.40 C ATOM 431 OH TYR A 35 32.493 -41.991 13.264 1.00 9.52 O ATOM 0 H TYR A 35 34.720 -38.642 9.162 1.00 4.62 H new ATOM 0 HA TYR A 35 36.868 -39.015 9.839 1.00 5.01 H new ATOM 0 HB2 TYR A 35 36.120 -41.580 8.369 1.00 5.66 H new ATOM 0 HB3 TYR A 35 37.353 -41.457 9.608 1.00 5.66 H new ATOM 0 HD1 TYR A 35 36.617 -40.713 11.967 1.00 6.97 H new ATOM 0 HD2 TYR A 35 33.845 -41.916 8.963 1.00 6.95 H new ATOM 0 HE1 TYR A 35 34.935 -41.160 13.697 1.00 7.94 H new ATOM 0 HE2 TYR A 35 32.167 -42.370 10.697 1.00 7.93 H new ATOM 0 HH TYR A 35 31.655 -42.270 12.839 1.00 9.52 H new ATOM 441 N GLY A 36 38.026 -40.455 7.181 1.00 4.65 N ATOM 442 CA GLY A 36 39.085 -40.407 6.189 1.00 4.85 C ATOM 443 C GLY A 36 39.622 -41.785 5.863 1.00 4.72 C ATOM 444 O GLY A 36 39.326 -42.337 4.803 1.00 4.78 O ATOM 0 H GLY A 36 37.545 -41.352 7.248 1.00 4.65 H new ATOM 0 HA2 GLY A 36 38.708 -39.941 5.279 1.00 4.85 H new ATOM 0 HA3 GLY A 36 39.897 -39.779 6.556 1.00 4.85 H new ATOM 448 N ARG A 37 40.407 -42.343 6.782 1.00 4.88 N ATOM 449 CA ARG A 37 40.989 -43.671 6.600 1.00 4.91 C ATOM 450 C ARG A 37 40.581 -44.600 7.739 1.00 4.57 C ATOM 451 O ARG A 37 40.384 -44.160 8.873 1.00 4.62 O ATOM 452 CB ARG A 37 42.518 -43.581 6.522 1.00 5.47 C ATOM 453 CG ARG A 37 43.111 -44.242 5.285 1.00 5.76 C ATOM 454 CD ARG A 37 42.807 -45.734 5.240 1.00 5.57 C ATOM 455 NE ARG A 37 43.750 -46.458 4.390 1.00 6.10 N ATOM 456 CZ ARG A 37 43.460 -47.591 3.753 1.00 6.73 C ATOM 457 NH1 ARG A 37 42.256 -48.132 3.877 1.00 7.03 N ATOM 458 NH2 ARG A 37 44.370 -48.183 2.990 1.00 7.28 N ATOM 0 H ARG A 37 40.655 -41.894 7.664 1.00 4.88 H new ATOM 0 HA ARG A 37 40.611 -44.080 5.663 1.00 4.91 H new ATOM 0 HB2 ARG A 37 42.812 -42.532 6.538 1.00 5.47 H new ATOM 0 HB3 ARG A 37 42.946 -44.045 7.411 1.00 5.47 H new ATOM 0 HG2 ARG A 37 42.713 -43.763 4.391 1.00 5.76 H new ATOM 0 HG3 ARG A 37 44.190 -44.090 5.274 1.00 5.76 H new ATOM 0 HD2 ARG A 37 42.842 -46.142 6.250 1.00 5.57 H new ATOM 0 HD3 ARG A 37 41.793 -45.887 4.869 1.00 5.57 H new ATOM 0 HE ARG A 37 44.687 -46.072 4.278 1.00 6.10 H new ATOM 0 HH11 ARG A 37 41.552 -47.680 4.460 1.00 7.03 H new ATOM 0 HH12 ARG A 37 42.034 -49.000 3.389 1.00 7.03 H new ATOM 0 HH21 ARG A 37 45.297 -47.770 2.889 1.00 7.28 H new ATOM 0 HH22 ARG A 37 44.142 -49.051 2.505 1.00 7.28 H new ATOM 472 N ASP A 38 40.460 -45.888 7.424 1.00 4.69 N ATOM 473 CA ASP A 38 40.079 -46.897 8.408 1.00 4.86 C ATOM 474 C ASP A 38 41.309 -47.440 9.138 1.00 4.66 C ATOM 475 O ASP A 38 41.346 -48.606 9.531 1.00 4.86 O ATOM 476 CB ASP A 38 39.330 -48.040 7.715 1.00 5.43 C ATOM 477 CG ASP A 38 38.119 -48.499 8.508 1.00 5.48 C ATOM 478 OD1 ASP A 38 37.394 -47.632 9.041 1.00 5.43 O ATOM 479 OD2 ASP A 38 37.900 -49.725 8.606 1.00 5.96 O ATOM 0 H ASP A 38 40.622 -46.259 6.488 1.00 4.69 H new ATOM 0 HA ASP A 38 39.425 -46.432 9.145 1.00 4.86 H new ATOM 0 HB2 ASP A 38 39.011 -47.715 6.725 1.00 5.43 H new ATOM 0 HB3 ASP A 38 40.008 -48.881 7.571 1.00 5.43 H new ATOM 484 N LEU A 39 42.312 -46.585 9.310 1.00 4.60 N ATOM 485 CA LEU A 39 43.548 -46.962 9.988 1.00 4.67 C ATOM 486 C LEU A 39 44.067 -45.793 10.817 1.00 4.33 C ATOM 487 O LEU A 39 44.880 -45.973 11.725 1.00 4.41 O ATOM 488 CB LEU A 39 44.610 -47.395 8.969 1.00 4.84 C ATOM 489 CG LEU A 39 45.213 -48.788 9.195 1.00 5.16 C ATOM 490 CD1 LEU A 39 45.877 -48.871 10.564 1.00 5.40 C ATOM 491 CD2 LEU A 39 44.149 -49.866 9.044 1.00 5.47 C ATOM 0 H LEU A 39 42.292 -45.618 8.986 1.00 4.60 H new ATOM 0 HA LEU A 39 43.338 -47.802 10.650 1.00 4.67 H new ATOM 0 HB2 LEU A 39 44.166 -47.367 7.974 1.00 4.84 H new ATOM 0 HB3 LEU A 39 45.417 -46.663 8.978 1.00 4.84 H new ATOM 0 HG LEU A 39 45.977 -48.957 8.436 1.00 5.16 H new ATOM 0 HD11 LEU A 39 46.298 -49.867 10.704 1.00 5.40 H new ATOM 0 HD12 LEU A 39 46.672 -48.128 10.628 1.00 5.40 H new ATOM 0 HD13 LEU A 39 45.136 -48.678 11.340 1.00 5.40 H new ATOM 0 HD21 LEU A 39 44.598 -50.846 9.208 1.00 5.47 H new ATOM 0 HD22 LEU A 39 43.358 -49.702 9.776 1.00 5.47 H new ATOM 0 HD23 LEU A 39 43.728 -49.824 8.039 1.00 5.47 H new ATOM 503 N THR A 40 43.586 -44.595 10.494 1.00 4.12 N ATOM 504 CA THR A 40 43.986 -43.382 11.200 1.00 3.95 C ATOM 505 C THR A 40 42.856 -42.353 11.180 1.00 3.81 C ATOM 506 O THR A 40 43.100 -41.149 11.242 1.00 3.56 O ATOM 507 CB THR A 40 45.253 -42.794 10.569 1.00 3.89 C ATOM 508 OG1 THR A 40 45.781 -41.760 11.378 1.00 4.22 O ATOM 509 CG2 THR A 40 45.032 -42.224 9.181 1.00 3.59 C ATOM 0 H THR A 40 42.914 -44.439 9.743 1.00 4.12 H new ATOM 0 HA THR A 40 44.199 -43.640 12.237 1.00 3.95 H new ATOM 0 HB THR A 40 45.947 -43.631 10.490 1.00 3.89 H new ATOM 0 HG1 THR A 40 46.242 -41.105 10.813 1.00 4.22 H new ATOM 0 HG21 THR A 40 45.971 -41.826 8.797 1.00 3.59 H new ATOM 0 HG22 THR A 40 44.673 -43.011 8.517 1.00 3.59 H new ATOM 0 HG23 THR A 40 44.292 -41.425 9.229 1.00 3.59 H new ATOM 517 N GLY A 41 41.621 -42.842 11.099 1.00 4.04 N ATOM 518 CA GLY A 41 40.458 -41.967 11.065 1.00 4.02 C ATOM 519 C GLY A 41 40.575 -40.764 11.983 1.00 3.78 C ATOM 520 O GLY A 41 40.394 -39.631 11.545 1.00 3.57 O ATOM 0 H GLY A 41 41.403 -43.837 11.056 1.00 4.04 H new ATOM 0 HA2 GLY A 41 40.305 -41.620 10.043 1.00 4.02 H new ATOM 0 HA3 GLY A 41 39.574 -42.541 11.343 1.00 4.02 H new ATOM 524 N VAL A 42 40.876 -41.007 13.256 1.00 3.86 N ATOM 525 CA VAL A 42 41.008 -39.927 14.235 1.00 3.76 C ATOM 526 C VAL A 42 41.891 -38.791 13.713 1.00 3.39 C ATOM 527 O VAL A 42 41.445 -37.648 13.600 1.00 3.25 O ATOM 528 CB VAL A 42 41.590 -40.446 15.568 1.00 3.99 C ATOM 529 CG1 VAL A 42 41.640 -39.330 16.604 1.00 4.39 C ATOM 530 CG2 VAL A 42 40.779 -41.626 16.083 1.00 4.39 C ATOM 0 H VAL A 42 41.033 -41.941 13.635 1.00 3.86 H new ATOM 0 HA VAL A 42 40.003 -39.541 14.406 1.00 3.76 H new ATOM 0 HB VAL A 42 42.610 -40.787 15.387 1.00 3.99 H new ATOM 0 HG11 VAL A 42 42.053 -39.717 17.536 1.00 4.39 H new ATOM 0 HG12 VAL A 42 42.270 -38.520 16.236 1.00 4.39 H new ATOM 0 HG13 VAL A 42 40.633 -38.954 16.782 1.00 4.39 H new ATOM 0 HG21 VAL A 42 41.205 -41.978 17.023 1.00 4.39 H new ATOM 0 HG22 VAL A 42 39.747 -41.315 16.246 1.00 4.39 H new ATOM 0 HG23 VAL A 42 40.803 -42.432 15.350 1.00 4.39 H new ATOM 540 N GLN A 43 43.144 -39.107 13.404 1.00 3.28 N ATOM 541 CA GLN A 43 44.079 -38.107 12.903 1.00 3.01 C ATOM 542 C GLN A 43 43.597 -37.540 11.574 1.00 2.82 C ATOM 543 O GLN A 43 43.888 -36.394 11.234 1.00 2.61 O ATOM 544 CB GLN A 43 45.477 -38.709 12.742 1.00 3.07 C ATOM 545 CG GLN A 43 45.927 -39.537 13.937 1.00 3.47 C ATOM 546 CD GLN A 43 47.424 -39.781 13.946 1.00 3.77 C ATOM 547 OE1 GLN A 43 48.161 -39.166 14.715 1.00 4.06 O ATOM 548 NE2 GLN A 43 47.880 -40.682 13.084 1.00 4.24 N ATOM 0 H GLN A 43 43.535 -40.045 13.491 1.00 3.28 H new ATOM 0 HA GLN A 43 44.130 -37.296 13.630 1.00 3.01 H new ATOM 0 HB2 GLN A 43 45.493 -39.336 11.850 1.00 3.07 H new ATOM 0 HB3 GLN A 43 46.193 -37.904 12.579 1.00 3.07 H new ATOM 0 HG2 GLN A 43 45.640 -39.027 14.857 1.00 3.47 H new ATOM 0 HG3 GLN A 43 45.406 -40.495 13.928 1.00 3.47 H new ATOM 0 HE21 GLN A 43 47.232 -41.169 12.464 1.00 4.24 H new ATOM 0 HE22 GLN A 43 48.878 -40.888 13.041 1.00 4.24 H new ATOM 557 N ASN A 44 42.853 -38.354 10.830 1.00 2.97 N ATOM 558 CA ASN A 44 42.320 -37.938 9.541 1.00 2.93 C ATOM 559 C ASN A 44 41.263 -36.860 9.734 1.00 2.82 C ATOM 560 O ASN A 44 41.180 -35.908 8.959 1.00 2.66 O ATOM 561 CB ASN A 44 41.723 -39.135 8.796 1.00 3.26 C ATOM 562 CG ASN A 44 42.071 -39.133 7.321 1.00 3.37 C ATOM 563 OD1 ASN A 44 42.689 -40.070 6.818 1.00 3.42 O ATOM 564 ND2 ASN A 44 41.674 -38.079 6.620 1.00 3.83 N ATOM 0 H ASN A 44 42.607 -39.306 11.100 1.00 2.97 H new ATOM 0 HA ASN A 44 43.136 -37.530 8.944 1.00 2.93 H new ATOM 0 HB2 ASN A 44 42.084 -40.058 9.250 1.00 3.26 H new ATOM 0 HB3 ASN A 44 40.639 -39.126 8.910 1.00 3.26 H new ATOM 0 HD21 ASN A 44 41.879 -38.023 5.622 1.00 3.83 H new ATOM 0 HD22 ASN A 44 41.164 -37.324 7.079 1.00 3.83 H new ATOM 571 N LEU A 45 40.466 -37.015 10.788 1.00 3.00 N ATOM 572 CA LEU A 45 39.421 -36.053 11.107 1.00 3.01 C ATOM 573 C LEU A 45 40.054 -34.723 11.487 1.00 2.73 C ATOM 574 O LEU A 45 39.733 -33.685 10.914 1.00 2.57 O ATOM 575 CB LEU A 45 38.545 -36.576 12.251 1.00 3.36 C ATOM 576 CG LEU A 45 37.205 -35.853 12.434 1.00 3.84 C ATOM 577 CD1 LEU A 45 36.345 -35.993 11.186 1.00 4.27 C ATOM 578 CD2 LEU A 45 36.472 -36.390 13.654 1.00 4.23 C ATOM 0 H LEU A 45 40.526 -37.801 11.436 1.00 3.00 H new ATOM 0 HA LEU A 45 38.787 -35.909 10.232 1.00 3.01 H new ATOM 0 HB2 LEU A 45 38.348 -37.634 12.081 1.00 3.36 H new ATOM 0 HB3 LEU A 45 39.109 -36.502 13.181 1.00 3.36 H new ATOM 0 HG LEU A 45 37.405 -34.793 12.593 1.00 3.84 H new ATOM 0 HD11 LEU A 45 35.399 -35.473 11.336 1.00 4.27 H new ATOM 0 HD12 LEU A 45 36.867 -35.558 10.334 1.00 4.27 H new ATOM 0 HD13 LEU A 45 36.153 -37.048 10.993 1.00 4.27 H new ATOM 0 HD21 LEU A 45 35.523 -35.866 13.769 1.00 4.23 H new ATOM 0 HD22 LEU A 45 36.284 -37.456 13.526 1.00 4.23 H new ATOM 0 HD23 LEU A 45 37.083 -36.234 14.543 1.00 4.23 H new ATOM 590 N ARG A 46 40.969 -34.772 12.452 1.00 2.73 N ATOM 591 CA ARG A 46 41.667 -33.576 12.909 1.00 2.59 C ATOM 592 C ARG A 46 42.243 -32.801 11.726 1.00 2.28 C ATOM 593 O ARG A 46 42.137 -31.575 11.663 1.00 2.17 O ATOM 594 CB ARG A 46 42.788 -33.957 13.882 1.00 2.76 C ATOM 595 CG ARG A 46 42.842 -33.084 15.127 1.00 2.97 C ATOM 596 CD ARG A 46 44.240 -33.053 15.728 1.00 3.51 C ATOM 597 NE ARG A 46 44.260 -32.402 17.036 1.00 4.06 N ATOM 598 CZ ARG A 46 44.045 -33.038 18.185 1.00 4.80 C ATOM 599 NH1 ARG A 46 43.787 -34.338 18.184 1.00 5.49 N ATOM 600 NH2 ARG A 46 44.091 -32.375 19.333 1.00 5.15 N ATOM 0 H ARG A 46 41.244 -35.629 12.932 1.00 2.73 H new ATOM 0 HA ARG A 46 40.950 -32.937 13.425 1.00 2.59 H new ATOM 0 HB2 ARG A 46 42.657 -34.996 14.183 1.00 2.76 H new ATOM 0 HB3 ARG A 46 43.744 -33.893 13.363 1.00 2.76 H new ATOM 0 HG2 ARG A 46 42.531 -32.070 14.875 1.00 2.97 H new ATOM 0 HG3 ARG A 46 42.135 -33.460 15.867 1.00 2.97 H new ATOM 0 HD2 ARG A 46 44.616 -34.072 15.824 1.00 3.51 H new ATOM 0 HD3 ARG A 46 44.914 -32.527 15.051 1.00 3.51 H new ATOM 0 HE ARG A 46 44.450 -31.400 17.070 1.00 4.06 H new ATOM 0 HH11 ARG A 46 43.753 -34.851 17.303 1.00 5.49 H new ATOM 0 HH12 ARG A 46 43.622 -34.826 19.064 1.00 5.49 H new ATOM 0 HH21 ARG A 46 44.292 -31.375 19.337 1.00 5.15 H new ATOM 0 HH22 ARG A 46 43.926 -32.865 20.212 1.00 5.15 H new ATOM 614 N LYS A 47 42.850 -33.523 10.786 1.00 2.24 N ATOM 615 CA LYS A 47 43.434 -32.893 9.607 1.00 2.12 C ATOM 616 C LYS A 47 42.352 -32.217 8.774 1.00 2.02 C ATOM 617 O LYS A 47 42.468 -31.040 8.428 1.00 1.89 O ATOM 618 CB LYS A 47 44.191 -33.922 8.762 1.00 2.32 C ATOM 619 CG LYS A 47 45.641 -34.104 9.183 1.00 2.70 C ATOM 620 CD LYS A 47 46.396 -35.020 8.228 1.00 3.12 C ATOM 621 CE LYS A 47 46.290 -36.479 8.643 1.00 3.66 C ATOM 622 NZ LYS A 47 46.611 -36.676 10.083 1.00 4.30 N ATOM 0 H LYS A 47 42.949 -34.538 10.818 1.00 2.24 H new ATOM 0 HA LYS A 47 44.142 -32.134 9.940 1.00 2.12 H new ATOM 0 HB2 LYS A 47 43.679 -34.882 8.828 1.00 2.32 H new ATOM 0 HB3 LYS A 47 44.160 -33.615 7.717 1.00 2.32 H new ATOM 0 HG2 LYS A 47 46.133 -33.132 9.220 1.00 2.70 H new ATOM 0 HG3 LYS A 47 45.678 -34.519 10.190 1.00 2.70 H new ATOM 0 HD2 LYS A 47 46.000 -34.899 7.220 1.00 3.12 H new ATOM 0 HD3 LYS A 47 47.445 -34.726 8.196 1.00 3.12 H new ATOM 0 HE2 LYS A 47 45.281 -36.840 8.444 1.00 3.66 H new ATOM 0 HE3 LYS A 47 46.968 -37.078 8.036 1.00 3.66 H new ATOM 0 HZ1 LYS A 47 46.956 -37.646 10.232 1.00 4.30 H new ATOM 0 HZ2 LYS A 47 47.346 -35.999 10.371 1.00 4.30 H new ATOM 0 HZ3 LYS A 47 45.755 -36.522 10.654 1.00 4.30 H new ATOM 636 N LYS A 48 41.290 -32.957 8.468 1.00 2.17 N ATOM 637 CA LYS A 48 40.188 -32.406 7.689 1.00 2.20 C ATOM 638 C LYS A 48 39.659 -31.148 8.364 1.00 2.02 C ATOM 639 O LYS A 48 39.395 -30.148 7.705 1.00 1.90 O ATOM 640 CB LYS A 48 39.062 -33.433 7.517 1.00 2.54 C ATOM 641 CG LYS A 48 38.617 -33.616 6.069 1.00 3.02 C ATOM 642 CD LYS A 48 37.267 -32.958 5.795 1.00 3.19 C ATOM 643 CE LYS A 48 37.403 -31.467 5.513 1.00 3.73 C ATOM 644 NZ LYS A 48 38.073 -31.200 4.209 1.00 4.17 N ATOM 0 H LYS A 48 41.170 -33.931 8.745 1.00 2.17 H new ATOM 0 HA LYS A 48 40.561 -32.152 6.697 1.00 2.20 H new ATOM 0 HB2 LYS A 48 39.395 -34.394 7.910 1.00 2.54 H new ATOM 0 HB3 LYS A 48 38.205 -33.124 8.115 1.00 2.54 H new ATOM 0 HG2 LYS A 48 39.368 -33.192 5.403 1.00 3.02 H new ATOM 0 HG3 LYS A 48 38.554 -34.680 5.841 1.00 3.02 H new ATOM 0 HD2 LYS A 48 36.793 -33.446 4.943 1.00 3.19 H new ATOM 0 HD3 LYS A 48 36.611 -33.106 6.653 1.00 3.19 H new ATOM 0 HE2 LYS A 48 36.415 -31.007 5.513 1.00 3.73 H new ATOM 0 HE3 LYS A 48 37.973 -30.998 6.315 1.00 3.73 H new ATOM 0 HZ1 LYS A 48 38.098 -30.175 4.035 1.00 4.17 H new ATOM 0 HZ2 LYS A 48 39.044 -31.571 4.235 1.00 4.17 H new ATOM 0 HZ3 LYS A 48 37.545 -31.668 3.445 1.00 4.17 H new ATOM 658 N HIS A 49 39.525 -31.200 9.689 1.00 2.10 N ATOM 659 CA HIS A 49 39.045 -30.058 10.456 1.00 2.10 C ATOM 660 C HIS A 49 39.793 -28.795 10.041 1.00 1.82 C ATOM 661 O HIS A 49 39.185 -27.802 9.645 1.00 1.72 O ATOM 662 CB HIS A 49 39.224 -30.308 11.958 1.00 2.37 C ATOM 663 CG HIS A 49 38.210 -29.608 12.809 1.00 2.66 C ATOM 664 ND1 HIS A 49 37.526 -28.481 12.414 1.00 2.97 N ATOM 665 CD2 HIS A 49 37.766 -29.896 14.059 1.00 3.22 C ATOM 666 CE1 HIS A 49 36.706 -28.125 13.412 1.00 3.47 C ATOM 667 NE2 HIS A 49 36.812 -28.952 14.434 1.00 3.60 N ATOM 0 H HIS A 49 39.743 -32.023 10.251 1.00 2.10 H new ATOM 0 HA HIS A 49 37.983 -29.923 10.251 1.00 2.10 H new ATOM 0 HB2 HIS A 49 39.168 -31.380 12.148 1.00 2.37 H new ATOM 0 HB3 HIS A 49 40.221 -29.983 12.255 1.00 2.37 H new ATOM 0 HD1 HIS A 49 37.626 -28.001 11.519 1.00 2.97 H new ATOM 0 HD2 HIS A 49 38.099 -30.725 14.666 1.00 3.22 H new ATOM 0 HE1 HIS A 49 36.044 -27.272 13.383 1.00 3.47 H new ATOM 675 N LYS A 50 41.121 -28.847 10.118 1.00 1.76 N ATOM 676 CA LYS A 50 41.949 -27.709 9.733 1.00 1.67 C ATOM 677 C LYS A 50 41.590 -27.254 8.323 1.00 1.49 C ATOM 678 O LYS A 50 41.447 -26.058 8.058 1.00 1.46 O ATOM 679 CB LYS A 50 43.434 -28.076 9.809 1.00 1.79 C ATOM 680 CG LYS A 50 43.875 -28.567 11.182 1.00 2.13 C ATOM 681 CD LYS A 50 44.539 -27.463 11.994 1.00 2.64 C ATOM 682 CE LYS A 50 43.555 -26.363 12.368 1.00 3.07 C ATOM 683 NZ LYS A 50 42.380 -26.893 13.115 1.00 3.17 N ATOM 0 H LYS A 50 41.644 -29.661 10.442 1.00 1.76 H new ATOM 0 HA LYS A 50 41.760 -26.890 10.427 1.00 1.67 H new ATOM 0 HB2 LYS A 50 43.646 -28.850 9.071 1.00 1.79 H new ATOM 0 HB3 LYS A 50 44.029 -27.204 9.537 1.00 1.79 H new ATOM 0 HG2 LYS A 50 43.011 -28.948 11.726 1.00 2.13 H new ATOM 0 HG3 LYS A 50 44.570 -29.399 11.064 1.00 2.13 H new ATOM 0 HD2 LYS A 50 44.970 -27.888 12.900 1.00 2.64 H new ATOM 0 HD3 LYS A 50 45.361 -27.035 11.421 1.00 2.64 H new ATOM 0 HE2 LYS A 50 44.063 -25.614 12.976 1.00 3.07 H new ATOM 0 HE3 LYS A 50 43.212 -25.861 11.463 1.00 3.07 H new ATOM 0 HZ1 LYS A 50 41.551 -26.915 12.487 1.00 3.17 H new ATOM 0 HZ2 LYS A 50 42.587 -27.856 13.450 1.00 3.17 H new ATOM 0 HZ3 LYS A 50 42.181 -26.278 13.930 1.00 3.17 H new ATOM 697 N ARG A 51 41.423 -28.220 7.424 1.00 1.50 N ATOM 698 CA ARG A 51 41.059 -27.926 6.042 1.00 1.50 C ATOM 699 C ARG A 51 39.688 -27.260 5.988 1.00 1.38 C ATOM 700 O ARG A 51 39.431 -26.406 5.140 1.00 1.27 O ATOM 701 CB ARG A 51 41.052 -29.210 5.205 1.00 1.77 C ATOM 702 CG ARG A 51 42.262 -29.361 4.295 1.00 2.17 C ATOM 703 CD ARG A 51 42.361 -28.227 3.284 1.00 2.52 C ATOM 704 NE ARG A 51 41.085 -27.965 2.617 1.00 2.87 N ATOM 705 CZ ARG A 51 40.970 -27.282 1.482 1.00 3.47 C ATOM 706 NH1 ARG A 51 42.046 -26.773 0.897 1.00 4.13 N ATOM 707 NH2 ARG A 51 39.777 -27.103 0.935 1.00 3.79 N ATOM 0 H ARG A 51 41.534 -29.213 7.628 1.00 1.50 H new ATOM 0 HA ARG A 51 41.800 -27.243 5.627 1.00 1.50 H new ATOM 0 HB2 ARG A 51 41.005 -30.068 5.875 1.00 1.77 H new ATOM 0 HB3 ARG A 51 40.148 -29.230 4.597 1.00 1.77 H new ATOM 0 HG2 ARG A 51 43.169 -29.388 4.899 1.00 2.17 H new ATOM 0 HG3 ARG A 51 42.202 -30.313 3.767 1.00 2.17 H new ATOM 0 HD2 ARG A 51 42.697 -27.321 3.789 1.00 2.52 H new ATOM 0 HD3 ARG A 51 43.115 -28.474 2.537 1.00 2.52 H new ATOM 0 HE ARG A 51 40.234 -28.327 3.048 1.00 2.87 H new ATOM 0 HH11 ARG A 51 42.966 -26.905 1.318 1.00 4.13 H new ATOM 0 HH12 ARG A 51 41.954 -26.250 0.026 1.00 4.13 H new ATOM 0 HH21 ARG A 51 38.947 -27.489 1.384 1.00 3.79 H new ATOM 0 HH22 ARG A 51 39.689 -26.579 0.064 1.00 3.79 H new ATOM 721 N LEU A 52 38.818 -27.654 6.912 1.00 1.51 N ATOM 722 CA LEU A 52 37.475 -27.099 6.993 1.00 1.55 C ATOM 723 C LEU A 52 37.549 -25.609 7.286 1.00 1.33 C ATOM 724 O LEU A 52 36.973 -24.799 6.567 1.00 1.22 O ATOM 725 CB LEU A 52 36.664 -27.814 8.077 1.00 1.88 C ATOM 726 CG LEU A 52 35.152 -27.583 8.025 1.00 2.21 C ATOM 727 CD1 LEU A 52 34.541 -28.283 6.819 1.00 2.90 C ATOM 728 CD2 LEU A 52 34.497 -28.062 9.313 1.00 2.58 C ATOM 0 H LEU A 52 39.023 -28.360 7.619 1.00 1.51 H new ATOM 0 HA LEU A 52 36.975 -27.248 6.036 1.00 1.55 H new ATOM 0 HB2 LEU A 52 36.854 -28.885 8.002 1.00 1.88 H new ATOM 0 HB3 LEU A 52 37.030 -27.493 9.052 1.00 1.88 H new ATOM 0 HG LEU A 52 34.971 -26.513 7.923 1.00 2.21 H new ATOM 0 HD11 LEU A 52 33.466 -28.106 6.802 1.00 2.90 H new ATOM 0 HD12 LEU A 52 34.988 -27.891 5.906 1.00 2.90 H new ATOM 0 HD13 LEU A 52 34.731 -29.354 6.885 1.00 2.90 H new ATOM 0 HD21 LEU A 52 33.422 -27.891 9.260 1.00 2.58 H new ATOM 0 HD22 LEU A 52 34.689 -29.127 9.444 1.00 2.58 H new ATOM 0 HD23 LEU A 52 34.911 -27.512 10.158 1.00 2.58 H new ATOM 740 N GLU A 53 38.279 -25.255 8.339 1.00 1.38 N ATOM 741 CA GLU A 53 38.444 -23.855 8.716 1.00 1.39 C ATOM 742 C GLU A 53 38.900 -23.035 7.513 1.00 1.16 C ATOM 743 O GLU A 53 38.349 -21.971 7.230 1.00 1.13 O ATOM 744 CB GLU A 53 39.460 -23.717 9.855 1.00 1.66 C ATOM 745 CG GLU A 53 38.891 -24.042 11.228 1.00 2.20 C ATOM 746 CD GLU A 53 38.724 -25.532 11.453 1.00 2.62 C ATOM 747 OE1 GLU A 53 39.692 -26.175 11.915 1.00 3.08 O ATOM 748 OE2 GLU A 53 37.628 -26.054 11.164 1.00 3.17 O ATOM 0 H GLU A 53 38.765 -25.916 8.945 1.00 1.38 H new ATOM 0 HA GLU A 53 37.481 -23.478 9.061 1.00 1.39 H new ATOM 0 HB2 GLU A 53 40.305 -24.376 9.657 1.00 1.66 H new ATOM 0 HB3 GLU A 53 39.846 -22.698 9.864 1.00 1.66 H new ATOM 0 HG2 GLU A 53 39.549 -23.634 11.995 1.00 2.20 H new ATOM 0 HG3 GLU A 53 37.925 -23.551 11.342 1.00 2.20 H new ATOM 755 N ALA A 54 39.903 -23.546 6.799 1.00 1.13 N ATOM 756 CA ALA A 54 40.420 -22.867 5.617 1.00 1.16 C ATOM 757 C ALA A 54 39.300 -22.606 4.617 1.00 0.99 C ATOM 758 O ALA A 54 39.088 -21.471 4.190 1.00 1.03 O ATOM 759 CB ALA A 54 41.532 -23.685 4.975 1.00 1.35 C ATOM 0 H ALA A 54 40.371 -24.425 7.020 1.00 1.13 H new ATOM 0 HA ALA A 54 40.834 -21.907 5.925 1.00 1.16 H new ATOM 0 HB1 ALA A 54 41.906 -23.163 4.094 1.00 1.35 H new ATOM 0 HB2 ALA A 54 42.344 -23.819 5.689 1.00 1.35 H new ATOM 0 HB3 ALA A 54 41.143 -24.660 4.681 1.00 1.35 H new ATOM 765 N GLU A 55 38.576 -23.664 4.258 1.00 0.99 N ATOM 766 CA GLU A 55 37.464 -23.545 3.323 1.00 1.06 C ATOM 767 C GLU A 55 36.466 -22.509 3.827 1.00 0.88 C ATOM 768 O GLU A 55 36.057 -21.613 3.091 1.00 0.90 O ATOM 769 CB GLU A 55 36.770 -24.900 3.149 1.00 1.35 C ATOM 770 CG GLU A 55 37.665 -25.973 2.545 1.00 1.84 C ATOM 771 CD GLU A 55 37.201 -27.383 2.868 1.00 1.93 C ATOM 772 OE1 GLU A 55 35.990 -27.659 2.727 1.00 2.20 O ATOM 773 OE2 GLU A 55 38.051 -28.217 3.251 1.00 2.60 O ATOM 0 H GLU A 55 38.740 -24.611 4.601 1.00 0.99 H new ATOM 0 HA GLU A 55 37.852 -23.223 2.357 1.00 1.06 H new ATOM 0 HB2 GLU A 55 36.412 -25.242 4.120 1.00 1.35 H new ATOM 0 HB3 GLU A 55 35.894 -24.770 2.514 1.00 1.35 H new ATOM 0 HG2 GLU A 55 37.696 -25.846 1.463 1.00 1.84 H new ATOM 0 HG3 GLU A 55 38.683 -25.838 2.911 1.00 1.84 H new ATOM 780 N LEU A 56 36.096 -22.643 5.096 1.00 0.90 N ATOM 781 CA LEU A 56 35.160 -21.731 5.742 1.00 0.98 C ATOM 782 C LEU A 56 35.548 -20.281 5.486 1.00 0.91 C ATOM 783 O LEU A 56 34.702 -19.443 5.166 1.00 0.99 O ATOM 784 CB LEU A 56 35.142 -22.011 7.250 1.00 1.26 C ATOM 785 CG LEU A 56 33.768 -21.964 7.927 1.00 2.02 C ATOM 786 CD1 LEU A 56 33.234 -20.540 7.953 1.00 2.67 C ATOM 787 CD2 LEU A 56 32.788 -22.900 7.231 1.00 2.55 C ATOM 0 H LEU A 56 36.437 -23.387 5.705 1.00 0.90 H new ATOM 0 HA LEU A 56 34.166 -21.893 5.324 1.00 0.98 H new ATOM 0 HB2 LEU A 56 35.576 -22.996 7.421 1.00 1.26 H new ATOM 0 HB3 LEU A 56 35.792 -21.287 7.741 1.00 1.26 H new ATOM 0 HG LEU A 56 33.882 -22.304 8.956 1.00 2.02 H new ATOM 0 HD11 LEU A 56 32.258 -20.526 8.437 1.00 2.67 H new ATOM 0 HD12 LEU A 56 33.923 -19.903 8.508 1.00 2.67 H new ATOM 0 HD13 LEU A 56 33.138 -20.169 6.933 1.00 2.67 H new ATOM 0 HD21 LEU A 56 31.820 -22.849 7.729 1.00 2.55 H new ATOM 0 HD22 LEU A 56 32.676 -22.600 6.189 1.00 2.55 H new ATOM 0 HD23 LEU A 56 33.166 -23.921 7.276 1.00 2.55 H new ATOM 799 N ALA A 57 36.834 -19.994 5.638 1.00 0.92 N ATOM 800 CA ALA A 57 37.349 -18.647 5.438 1.00 1.14 C ATOM 801 C ALA A 57 37.250 -18.224 3.977 1.00 1.08 C ATOM 802 O ALA A 57 36.891 -17.090 3.679 1.00 1.22 O ATOM 803 CB ALA A 57 38.789 -18.564 5.919 1.00 1.37 C ATOM 0 H ALA A 57 37.542 -20.680 5.900 1.00 0.92 H new ATOM 0 HA ALA A 57 36.737 -17.960 6.023 1.00 1.14 H new ATOM 0 HB1 ALA A 57 39.166 -17.553 5.766 1.00 1.37 H new ATOM 0 HB2 ALA A 57 38.833 -18.811 6.980 1.00 1.37 H new ATOM 0 HB3 ALA A 57 39.402 -19.269 5.357 1.00 1.37 H new ATOM 809 N ALA A 58 37.587 -19.136 3.072 1.00 1.03 N ATOM 810 CA ALA A 58 37.551 -18.853 1.638 1.00 1.19 C ATOM 811 C ALA A 58 36.134 -18.583 1.146 1.00 1.03 C ATOM 812 O ALA A 58 35.936 -17.879 0.154 1.00 1.17 O ATOM 813 CB ALA A 58 38.160 -20.014 0.867 1.00 1.43 C ATOM 0 H ALA A 58 37.890 -20.082 3.305 1.00 1.03 H new ATOM 0 HA ALA A 58 38.136 -17.950 1.463 1.00 1.19 H new ATOM 0 HB1 ALA A 58 38.130 -19.797 -0.201 1.00 1.43 H new ATOM 0 HB2 ALA A 58 39.194 -20.156 1.180 1.00 1.43 H new ATOM 0 HB3 ALA A 58 37.592 -20.922 1.069 1.00 1.43 H new ATOM 819 N HIS A 59 35.148 -19.148 1.834 1.00 0.87 N ATOM 820 CA HIS A 59 33.754 -18.972 1.445 1.00 0.90 C ATOM 821 C HIS A 59 33.272 -17.552 1.733 1.00 0.80 C ATOM 822 O HIS A 59 32.504 -16.986 0.954 1.00 0.89 O ATOM 823 CB HIS A 59 32.866 -19.996 2.155 1.00 1.13 C ATOM 824 CG HIS A 59 33.026 -21.388 1.616 1.00 1.46 C ATOM 825 ND1 HIS A 59 34.232 -21.919 1.218 1.00 2.16 N ATOM 826 CD2 HIS A 59 32.097 -22.350 1.373 1.00 1.68 C ATOM 827 CE1 HIS A 59 34.001 -23.152 0.751 1.00 2.61 C ATOM 828 NE2 HIS A 59 32.727 -23.459 0.831 1.00 2.36 N ATOM 0 H HIS A 59 35.287 -19.729 2.660 1.00 0.87 H new ATOM 0 HA HIS A 59 33.684 -19.136 0.370 1.00 0.90 H new ATOM 0 HB2 HIS A 59 33.101 -19.996 3.219 1.00 1.13 H new ATOM 0 HB3 HIS A 59 31.823 -19.693 2.058 1.00 1.13 H new ATOM 0 HD1 HIS A 59 35.139 -21.456 1.270 1.00 2.16 H new ATOM 0 HD2 HIS A 59 31.039 -22.264 1.570 1.00 1.68 H new ATOM 0 HE1 HIS A 59 34.764 -23.809 0.359 1.00 2.61 H new ATOM 836 N GLU A 60 33.721 -16.973 2.849 1.00 0.87 N ATOM 837 CA GLU A 60 33.316 -15.615 3.205 1.00 1.09 C ATOM 838 C GLU A 60 33.503 -14.672 2.015 1.00 1.11 C ATOM 839 O GLU A 60 32.537 -14.089 1.531 1.00 1.12 O ATOM 840 CB GLU A 60 34.107 -15.107 4.418 1.00 1.39 C ATOM 841 CG GLU A 60 33.282 -15.000 5.691 1.00 1.92 C ATOM 842 CD GLU A 60 33.025 -16.349 6.338 1.00 2.39 C ATOM 843 OE1 GLU A 60 34.005 -17.024 6.715 1.00 3.01 O ATOM 844 OE2 GLU A 60 31.845 -16.728 6.467 1.00 2.70 O ATOM 0 H GLU A 60 34.356 -17.417 3.512 1.00 0.87 H new ATOM 0 HA GLU A 60 32.259 -15.636 3.472 1.00 1.09 H new ATOM 0 HB2 GLU A 60 34.948 -15.777 4.597 1.00 1.39 H new ATOM 0 HB3 GLU A 60 34.524 -14.127 4.183 1.00 1.39 H new ATOM 0 HG2 GLU A 60 33.799 -14.354 6.401 1.00 1.92 H new ATOM 0 HG3 GLU A 60 32.329 -14.524 5.462 1.00 1.92 H new ATOM 851 N PRO A 61 34.751 -14.490 1.540 1.00 1.23 N ATOM 852 CA PRO A 61 35.046 -13.606 0.407 1.00 1.42 C ATOM 853 C PRO A 61 34.142 -13.871 -0.795 1.00 1.32 C ATOM 854 O PRO A 61 33.618 -12.937 -1.409 1.00 1.44 O ATOM 855 CB PRO A 61 36.494 -13.957 0.057 1.00 1.60 C ATOM 856 CG PRO A 61 37.087 -14.432 1.332 1.00 1.59 C ATOM 857 CD PRO A 61 35.976 -15.102 2.091 1.00 1.29 C ATOM 0 HA PRO A 61 34.886 -12.558 0.661 1.00 1.42 H new ATOM 0 HB2 PRO A 61 36.539 -14.728 -0.712 1.00 1.60 H new ATOM 0 HB3 PRO A 61 37.029 -13.090 -0.329 1.00 1.60 H new ATOM 0 HG2 PRO A 61 37.905 -15.128 1.145 1.00 1.59 H new ATOM 0 HG3 PRO A 61 37.501 -13.600 1.902 1.00 1.59 H new ATOM 0 HD2 PRO A 61 35.985 -16.182 1.942 1.00 1.29 H new ATOM 0 HD3 PRO A 61 36.063 -14.927 3.163 1.00 1.29 H new ATOM 865 N ALA A 62 33.977 -15.148 -1.134 1.00 1.18 N ATOM 866 CA ALA A 62 33.148 -15.544 -2.270 1.00 1.22 C ATOM 867 C ALA A 62 31.740 -14.973 -2.154 1.00 1.00 C ATOM 868 O ALA A 62 31.173 -14.479 -3.131 1.00 1.06 O ATOM 869 CB ALA A 62 33.096 -17.064 -2.384 1.00 1.31 C ATOM 0 H ALA A 62 34.408 -15.928 -0.637 1.00 1.18 H new ATOM 0 HA ALA A 62 33.601 -15.137 -3.174 1.00 1.22 H new ATOM 0 HB1 ALA A 62 32.475 -17.344 -3.235 1.00 1.31 H new ATOM 0 HB2 ALA A 62 34.104 -17.453 -2.527 1.00 1.31 H new ATOM 0 HB3 ALA A 62 32.672 -17.483 -1.472 1.00 1.31 H new ATOM 875 N ILE A 63 31.179 -15.050 -0.954 1.00 0.82 N ATOM 876 CA ILE A 63 29.833 -14.555 -0.703 1.00 0.73 C ATOM 877 C ILE A 63 29.823 -13.045 -0.499 1.00 0.73 C ATOM 878 O ILE A 63 28.860 -12.373 -0.863 1.00 0.73 O ATOM 879 CB ILE A 63 29.212 -15.267 0.513 1.00 0.79 C ATOM 880 CG1 ILE A 63 29.144 -16.768 0.229 1.00 1.08 C ATOM 881 CG2 ILE A 63 27.822 -14.715 0.824 1.00 0.96 C ATOM 882 CD1 ILE A 63 29.646 -17.644 1.363 1.00 0.67 C ATOM 0 H ILE A 63 31.638 -15.452 -0.137 1.00 0.82 H new ATOM 0 HA ILE A 63 29.230 -14.776 -1.583 1.00 0.73 H new ATOM 0 HB ILE A 63 29.837 -15.088 1.388 1.00 0.79 H new ATOM 0 HG12 ILE A 63 28.111 -17.037 0.008 1.00 1.08 H new ATOM 0 HG13 ILE A 63 29.728 -16.983 -0.666 1.00 1.08 H new ATOM 0 HG21 ILE A 63 27.408 -15.236 1.687 1.00 0.96 H new ATOM 0 HG22 ILE A 63 27.894 -13.650 1.044 1.00 0.96 H new ATOM 0 HG23 ILE A 63 27.170 -14.864 -0.037 1.00 0.96 H new ATOM 0 HD11 ILE A 63 29.562 -18.693 1.077 1.00 0.67 H new ATOM 0 HD12 ILE A 63 30.689 -17.407 1.571 1.00 0.67 H new ATOM 0 HD13 ILE A 63 29.047 -17.462 2.256 1.00 0.67 H new ATOM 894 N GLN A 64 30.900 -12.515 0.071 1.00 0.83 N ATOM 895 CA GLN A 64 31.010 -11.081 0.301 1.00 0.95 C ATOM 896 C GLN A 64 30.760 -10.335 -1.000 1.00 0.95 C ATOM 897 O GLN A 64 29.919 -9.440 -1.059 1.00 0.92 O ATOM 898 CB GLN A 64 32.390 -10.724 0.861 1.00 1.17 C ATOM 899 CG GLN A 64 32.374 -10.352 2.336 1.00 1.62 C ATOM 900 CD GLN A 64 31.418 -9.215 2.645 1.00 2.58 C ATOM 901 OE1 GLN A 64 30.485 -9.369 3.433 1.00 3.24 O ATOM 902 NE2 GLN A 64 31.643 -8.064 2.021 1.00 3.27 N ATOM 0 H GLN A 64 31.707 -13.056 0.381 1.00 0.83 H new ATOM 0 HA GLN A 64 30.261 -10.785 1.035 1.00 0.95 H new ATOM 0 HB2 GLN A 64 33.061 -11.571 0.716 1.00 1.17 H new ATOM 0 HB3 GLN A 64 32.800 -9.891 0.290 1.00 1.17 H new ATOM 0 HG2 GLN A 64 32.094 -11.226 2.924 1.00 1.62 H new ATOM 0 HG3 GLN A 64 33.380 -10.069 2.646 1.00 1.62 H new ATOM 0 HE21 GLN A 64 32.428 -7.979 1.375 1.00 3.27 H new ATOM 0 HE22 GLN A 64 31.031 -7.265 2.188 1.00 3.27 H new ATOM 911 N GLY A 65 31.481 -10.730 -2.049 1.00 1.05 N ATOM 912 CA GLY A 65 31.302 -10.103 -3.343 1.00 1.14 C ATOM 913 C GLY A 65 29.840 -10.025 -3.720 1.00 0.94 C ATOM 914 O GLY A 65 29.329 -8.954 -4.040 1.00 0.94 O ATOM 0 H GLY A 65 32.182 -11.470 -2.023 1.00 1.05 H new ATOM 0 HA2 GLY A 65 31.729 -9.100 -3.325 1.00 1.14 H new ATOM 0 HA3 GLY A 65 31.845 -10.667 -4.101 1.00 1.14 H new ATOM 918 N VAL A 66 29.157 -11.165 -3.652 1.00 0.83 N ATOM 919 CA VAL A 66 27.736 -11.226 -3.968 1.00 0.72 C ATOM 920 C VAL A 66 26.963 -10.191 -3.155 1.00 0.59 C ATOM 921 O VAL A 66 26.265 -9.347 -3.711 1.00 0.56 O ATOM 922 CB VAL A 66 27.162 -12.643 -3.694 1.00 0.77 C ATOM 923 CG1 VAL A 66 25.671 -12.589 -3.380 1.00 1.22 C ATOM 924 CG2 VAL A 66 27.429 -13.565 -4.876 1.00 1.46 C ATOM 0 H VAL A 66 29.567 -12.059 -3.380 1.00 0.83 H new ATOM 0 HA VAL A 66 27.622 -11.006 -5.029 1.00 0.72 H new ATOM 0 HB VAL A 66 27.670 -13.045 -2.817 1.00 0.77 H new ATOM 0 HG11 VAL A 66 25.302 -13.597 -3.193 1.00 1.22 H new ATOM 0 HG12 VAL A 66 25.508 -11.973 -2.496 1.00 1.22 H new ATOM 0 HG13 VAL A 66 25.136 -12.158 -4.226 1.00 1.22 H new ATOM 0 HG21 VAL A 66 27.020 -14.553 -4.666 1.00 1.46 H new ATOM 0 HG22 VAL A 66 26.955 -13.158 -5.769 1.00 1.46 H new ATOM 0 HG23 VAL A 66 28.504 -13.645 -5.040 1.00 1.46 H new ATOM 934 N LEU A 67 27.105 -10.259 -1.838 1.00 0.58 N ATOM 935 CA LEU A 67 26.427 -9.326 -0.941 1.00 0.62 C ATOM 936 C LEU A 67 26.692 -7.879 -1.346 1.00 0.69 C ATOM 937 O LEU A 67 25.761 -7.089 -1.502 1.00 0.71 O ATOM 938 CB LEU A 67 26.882 -9.565 0.505 1.00 0.74 C ATOM 939 CG LEU A 67 26.464 -8.489 1.514 1.00 1.29 C ATOM 940 CD1 LEU A 67 25.980 -9.129 2.807 1.00 1.90 C ATOM 941 CD2 LEU A 67 27.619 -7.534 1.788 1.00 2.13 C ATOM 0 H LEU A 67 27.685 -10.952 -1.364 1.00 0.58 H new ATOM 0 HA LEU A 67 25.354 -9.503 -1.013 1.00 0.62 H new ATOM 0 HB2 LEU A 67 26.486 -10.524 0.838 1.00 0.74 H new ATOM 0 HB3 LEU A 67 27.969 -9.647 0.517 1.00 0.74 H new ATOM 0 HG LEU A 67 25.641 -7.917 1.085 1.00 1.29 H new ATOM 0 HD11 LEU A 67 25.688 -8.350 3.511 1.00 1.90 H new ATOM 0 HD12 LEU A 67 25.123 -9.769 2.598 1.00 1.90 H new ATOM 0 HD13 LEU A 67 26.782 -9.727 3.240 1.00 1.90 H new ATOM 0 HD21 LEU A 67 27.303 -6.778 2.506 1.00 2.13 H new ATOM 0 HD22 LEU A 67 28.463 -8.091 2.195 1.00 2.13 H new ATOM 0 HD23 LEU A 67 27.919 -7.049 0.859 1.00 2.13 H new ATOM 953 N ASP A 68 27.965 -7.537 -1.509 1.00 0.79 N ATOM 954 CA ASP A 68 28.354 -6.185 -1.891 1.00 0.94 C ATOM 955 C ASP A 68 27.680 -5.772 -3.196 1.00 0.86 C ATOM 956 O ASP A 68 27.146 -4.666 -3.303 1.00 0.91 O ATOM 957 CB ASP A 68 29.883 -6.088 -2.016 1.00 1.12 C ATOM 958 CG ASP A 68 30.612 -6.641 -0.804 1.00 1.55 C ATOM 959 OD1 ASP A 68 30.719 -5.915 0.207 1.00 2.04 O ATOM 960 OD2 ASP A 68 31.064 -7.803 -0.863 1.00 2.24 O ATOM 0 H ASP A 68 28.747 -8.179 -1.382 1.00 0.79 H new ATOM 0 HA ASP A 68 28.023 -5.499 -1.111 1.00 0.94 H new ATOM 0 HB2 ASP A 68 30.205 -6.630 -2.905 1.00 1.12 H new ATOM 0 HB3 ASP A 68 30.165 -5.045 -2.159 1.00 1.12 H new ATOM 965 N THR A 69 27.711 -6.658 -4.189 1.00 0.80 N ATOM 966 CA THR A 69 27.101 -6.369 -5.476 1.00 0.80 C ATOM 967 C THR A 69 25.599 -6.160 -5.314 1.00 0.67 C ATOM 968 O THR A 69 25.045 -5.169 -5.791 1.00 0.73 O ATOM 969 CB THR A 69 27.380 -7.500 -6.469 1.00 0.86 C ATOM 970 OG1 THR A 69 28.749 -7.872 -6.437 1.00 1.02 O ATOM 971 CG2 THR A 69 27.038 -7.140 -7.899 1.00 0.94 C ATOM 0 H THR A 69 28.151 -7.576 -4.124 1.00 0.80 H new ATOM 0 HA THR A 69 27.540 -5.452 -5.869 1.00 0.80 H new ATOM 0 HB THR A 69 26.739 -8.323 -6.154 1.00 0.86 H new ATOM 0 HG1 THR A 69 28.908 -8.470 -5.677 1.00 1.02 H new ATOM 0 HG21 THR A 69 27.260 -7.986 -8.550 1.00 0.94 H new ATOM 0 HG22 THR A 69 25.978 -6.896 -7.969 1.00 0.94 H new ATOM 0 HG23 THR A 69 27.630 -6.279 -8.209 1.00 0.94 H new ATOM 979 N GLY A 70 24.945 -7.092 -4.620 1.00 0.57 N ATOM 980 CA GLY A 70 23.517 -6.982 -4.395 1.00 0.59 C ATOM 981 C GLY A 70 23.143 -5.659 -3.763 1.00 0.69 C ATOM 982 O GLY A 70 22.161 -5.029 -4.157 1.00 0.79 O ATOM 0 H GLY A 70 25.381 -7.919 -4.212 1.00 0.57 H new ATOM 0 HA2 GLY A 70 22.991 -7.092 -5.343 1.00 0.59 H new ATOM 0 HA3 GLY A 70 23.188 -7.797 -3.751 1.00 0.59 H new ATOM 986 N LYS A 71 23.931 -5.230 -2.779 1.00 0.76 N ATOM 987 CA LYS A 71 23.677 -3.969 -2.102 1.00 0.94 C ATOM 988 C LYS A 71 23.740 -2.823 -3.103 1.00 0.99 C ATOM 989 O LYS A 71 22.908 -1.917 -3.079 1.00 1.12 O ATOM 990 CB LYS A 71 24.696 -3.744 -0.980 1.00 1.05 C ATOM 991 CG LYS A 71 24.070 -3.306 0.336 1.00 1.35 C ATOM 992 CD LYS A 71 23.450 -1.920 0.224 1.00 1.91 C ATOM 993 CE LYS A 71 22.637 -1.566 1.460 1.00 2.53 C ATOM 994 NZ LYS A 71 21.738 -0.405 1.215 1.00 3.25 N ATOM 0 H LYS A 71 24.747 -5.738 -2.437 1.00 0.76 H new ATOM 0 HA LYS A 71 22.681 -4.005 -1.660 1.00 0.94 H new ATOM 0 HB2 LYS A 71 25.254 -4.666 -0.818 1.00 1.05 H new ATOM 0 HB3 LYS A 71 25.414 -2.989 -1.300 1.00 1.05 H new ATOM 0 HG2 LYS A 71 23.306 -4.024 0.634 1.00 1.35 H new ATOM 0 HG3 LYS A 71 24.829 -3.304 1.119 1.00 1.35 H new ATOM 0 HD2 LYS A 71 24.237 -1.180 0.082 1.00 1.91 H new ATOM 0 HD3 LYS A 71 22.810 -1.878 -0.657 1.00 1.91 H new ATOM 0 HE2 LYS A 71 22.043 -2.428 1.764 1.00 2.53 H new ATOM 0 HE3 LYS A 71 23.311 -1.336 2.285 1.00 2.53 H new ATOM 0 HZ1 LYS A 71 21.885 0.310 1.955 1.00 3.25 H new ATOM 0 HZ2 LYS A 71 21.952 0.009 0.285 1.00 3.25 H new ATOM 0 HZ3 LYS A 71 20.748 -0.723 1.233 1.00 3.25 H new ATOM 1008 N LYS A 72 24.731 -2.881 -3.987 1.00 0.95 N ATOM 1009 CA LYS A 72 24.914 -1.856 -5.009 1.00 1.08 C ATOM 1010 C LYS A 72 23.672 -1.733 -5.886 1.00 1.06 C ATOM 1011 O LYS A 72 23.178 -0.631 -6.125 1.00 1.26 O ATOM 1012 CB LYS A 72 26.138 -2.176 -5.875 1.00 1.14 C ATOM 1013 CG LYS A 72 26.947 -0.947 -6.266 1.00 1.49 C ATOM 1014 CD LYS A 72 27.776 -0.422 -5.101 1.00 2.07 C ATOM 1015 CE LYS A 72 28.928 -1.358 -4.762 1.00 2.89 C ATOM 1016 NZ LYS A 72 28.658 -2.150 -3.531 1.00 3.71 N ATOM 0 H LYS A 72 25.422 -3.630 -4.016 1.00 0.95 H new ATOM 0 HA LYS A 72 25.076 -0.903 -4.505 1.00 1.08 H new ATOM 0 HB2 LYS A 72 26.783 -2.869 -5.335 1.00 1.14 H new ATOM 0 HB3 LYS A 72 25.809 -2.687 -6.780 1.00 1.14 H new ATOM 0 HG2 LYS A 72 27.606 -1.195 -7.098 1.00 1.49 H new ATOM 0 HG3 LYS A 72 26.273 -0.164 -6.615 1.00 1.49 H new ATOM 0 HD2 LYS A 72 28.169 0.564 -5.349 1.00 2.07 H new ATOM 0 HD3 LYS A 72 27.137 -0.299 -4.226 1.00 2.07 H new ATOM 0 HE2 LYS A 72 29.103 -2.035 -5.598 1.00 2.89 H new ATOM 0 HE3 LYS A 72 29.840 -0.777 -4.626 1.00 2.89 H new ATOM 0 HZ1 LYS A 72 29.554 -2.349 -3.042 1.00 3.71 H new ATOM 0 HZ2 LYS A 72 28.032 -1.609 -2.900 1.00 3.71 H new ATOM 0 HZ3 LYS A 72 28.198 -3.046 -3.789 1.00 3.71 H new ATOM 1030 N LEU A 73 23.176 -2.870 -6.368 1.00 0.89 N ATOM 1031 CA LEU A 73 21.995 -2.881 -7.225 1.00 0.98 C ATOM 1032 C LEU A 73 20.804 -2.249 -6.515 1.00 1.14 C ATOM 1033 O LEU A 73 20.031 -1.511 -7.121 1.00 1.32 O ATOM 1034 CB LEU A 73 21.636 -4.311 -7.646 1.00 0.97 C ATOM 1035 CG LEU A 73 22.815 -5.219 -8.013 1.00 0.92 C ATOM 1036 CD1 LEU A 73 22.319 -6.431 -8.790 1.00 0.96 C ATOM 1037 CD2 LEU A 73 23.864 -4.464 -8.819 1.00 1.52 C ATOM 0 H LEU A 73 23.572 -3.791 -6.180 1.00 0.89 H new ATOM 0 HA LEU A 73 22.231 -2.298 -8.115 1.00 0.98 H new ATOM 0 HB2 LEU A 73 21.081 -4.780 -6.833 1.00 0.97 H new ATOM 0 HB3 LEU A 73 20.963 -4.259 -8.502 1.00 0.97 H new ATOM 0 HG LEU A 73 23.284 -5.556 -7.089 1.00 0.92 H new ATOM 0 HD11 LEU A 73 23.164 -7.070 -9.046 1.00 0.96 H new ATOM 0 HD12 LEU A 73 21.613 -6.992 -8.178 1.00 0.96 H new ATOM 0 HD13 LEU A 73 21.824 -6.100 -9.703 1.00 0.96 H new ATOM 0 HD21 LEU A 73 24.687 -5.135 -9.064 1.00 1.52 H new ATOM 0 HD22 LEU A 73 23.416 -4.089 -9.739 1.00 1.52 H new ATOM 0 HD23 LEU A 73 24.241 -3.627 -8.232 1.00 1.52 H new ATOM 1049 N SER A 74 20.655 -2.563 -5.234 1.00 1.13 N ATOM 1050 CA SER A 74 19.549 -2.044 -4.434 1.00 1.36 C ATOM 1051 C SER A 74 19.641 -0.531 -4.257 1.00 1.52 C ATOM 1052 O SER A 74 18.647 0.179 -4.397 1.00 1.76 O ATOM 1053 CB SER A 74 19.534 -2.725 -3.065 1.00 1.37 C ATOM 1054 OG SER A 74 19.557 -4.135 -3.198 1.00 1.67 O ATOM 0 H SER A 74 21.289 -3.178 -4.723 1.00 1.13 H new ATOM 0 HA SER A 74 18.623 -2.263 -4.965 1.00 1.36 H new ATOM 0 HB2 SER A 74 20.395 -2.397 -2.483 1.00 1.37 H new ATOM 0 HB3 SER A 74 18.643 -2.423 -2.514 1.00 1.37 H new ATOM 0 HG SER A 74 20.456 -4.424 -3.461 1.00 1.67 H new ATOM 1060 N ASP A 75 20.835 -0.046 -3.928 1.00 1.47 N ATOM 1061 CA ASP A 75 21.055 1.381 -3.710 1.00 1.71 C ATOM 1062 C ASP A 75 20.452 2.227 -4.830 1.00 1.86 C ATOM 1063 O ASP A 75 19.839 3.265 -4.570 1.00 2.14 O ATOM 1064 CB ASP A 75 22.553 1.679 -3.586 1.00 1.72 C ATOM 1065 CG ASP A 75 23.224 0.871 -2.488 1.00 1.79 C ATOM 1066 OD1 ASP A 75 22.565 0.587 -1.466 1.00 2.34 O ATOM 1067 OD2 ASP A 75 24.414 0.525 -2.650 1.00 2.15 O ATOM 0 H ASP A 75 21.668 -0.622 -3.806 1.00 1.47 H new ATOM 0 HA ASP A 75 20.553 1.647 -2.780 1.00 1.71 H new ATOM 0 HB2 ASP A 75 23.041 1.467 -4.537 1.00 1.72 H new ATOM 0 HB3 ASP A 75 22.692 2.741 -3.386 1.00 1.72 H new ATOM 1072 N ASP A 76 20.642 1.794 -6.074 1.00 1.77 N ATOM 1073 CA ASP A 76 20.127 2.532 -7.227 1.00 2.01 C ATOM 1074 C ASP A 76 18.704 2.108 -7.586 1.00 1.98 C ATOM 1075 O ASP A 76 17.859 2.948 -7.901 1.00 2.28 O ATOM 1076 CB ASP A 76 21.049 2.335 -8.435 1.00 2.20 C ATOM 1077 CG ASP A 76 21.071 0.899 -8.926 1.00 2.36 C ATOM 1078 OD1 ASP A 76 20.178 0.526 -9.716 1.00 2.64 O ATOM 1079 OD2 ASP A 76 21.981 0.148 -8.520 1.00 2.89 O ATOM 0 H ASP A 76 21.147 0.940 -6.310 1.00 1.77 H new ATOM 0 HA ASP A 76 20.101 3.587 -6.955 1.00 2.01 H new ATOM 0 HB2 ASP A 76 20.724 2.987 -9.246 1.00 2.20 H new ATOM 0 HB3 ASP A 76 22.061 2.639 -8.168 1.00 2.20 H new ATOM 1084 N ASN A 77 18.448 0.804 -7.555 1.00 1.87 N ATOM 1085 CA ASN A 77 17.133 0.268 -7.900 1.00 2.13 C ATOM 1086 C ASN A 77 16.115 0.500 -6.787 1.00 1.92 C ATOM 1087 O ASN A 77 16.381 0.231 -5.616 1.00 2.30 O ATOM 1088 CB ASN A 77 17.233 -1.231 -8.199 1.00 3.00 C ATOM 1089 CG ASN A 77 15.884 -1.926 -8.168 1.00 3.68 C ATOM 1090 OD1 ASN A 77 15.443 -2.405 -7.124 1.00 3.93 O ATOM 1091 ND2 ASN A 77 15.218 -1.983 -9.316 1.00 4.42 N ATOM 0 H ASN A 77 19.135 0.096 -7.294 1.00 1.87 H new ATOM 0 HA ASN A 77 16.789 0.798 -8.788 1.00 2.13 H new ATOM 0 HB2 ASN A 77 17.687 -1.372 -9.180 1.00 3.00 H new ATOM 0 HB3 ASN A 77 17.895 -1.699 -7.471 1.00 3.00 H new ATOM 0 HD21 ASN A 77 14.305 -2.437 -9.354 1.00 4.42 H new ATOM 0 HD22 ASN A 77 15.619 -1.573 -10.159 1.00 4.42 H new ATOM 1098 N THR A 78 14.936 0.977 -7.172 1.00 2.42 N ATOM 1099 CA THR A 78 13.858 1.221 -6.225 1.00 3.13 C ATOM 1100 C THR A 78 12.983 -0.025 -6.115 1.00 3.07 C ATOM 1101 O THR A 78 13.051 -0.762 -5.129 1.00 3.33 O ATOM 1102 CB THR A 78 13.019 2.424 -6.671 1.00 4.02 C ATOM 1103 OG1 THR A 78 12.650 2.299 -8.035 1.00 4.29 O ATOM 1104 CG2 THR A 78 13.736 3.748 -6.508 1.00 4.87 C ATOM 0 H THR A 78 14.704 1.203 -8.139 1.00 2.42 H new ATOM 0 HA THR A 78 14.285 1.445 -5.247 1.00 3.13 H new ATOM 0 HB THR A 78 12.143 2.422 -6.023 1.00 4.02 H new ATOM 0 HG1 THR A 78 12.114 3.075 -8.301 1.00 4.29 H new ATOM 0 HG21 THR A 78 13.086 4.557 -6.842 1.00 4.87 H new ATOM 0 HG22 THR A 78 13.991 3.897 -5.459 1.00 4.87 H new ATOM 0 HG23 THR A 78 14.647 3.744 -7.106 1.00 4.87 H new ATOM 1112 N ILE A 79 12.180 -0.261 -7.149 1.00 3.06 N ATOM 1113 CA ILE A 79 11.303 -1.425 -7.195 1.00 3.21 C ATOM 1114 C ILE A 79 12.124 -2.699 -7.379 1.00 2.90 C ATOM 1115 O ILE A 79 12.590 -2.994 -8.482 1.00 3.08 O ATOM 1116 CB ILE A 79 10.275 -1.319 -8.345 1.00 3.81 C ATOM 1117 CG1 ILE A 79 9.676 0.092 -8.410 1.00 4.11 C ATOM 1118 CG2 ILE A 79 9.178 -2.361 -8.174 1.00 4.49 C ATOM 1119 CD1 ILE A 79 10.157 0.900 -9.595 1.00 4.56 C ATOM 0 H ILE A 79 12.119 0.342 -7.969 1.00 3.06 H new ATOM 0 HA ILE A 79 10.764 -1.462 -6.248 1.00 3.21 H new ATOM 0 HB ILE A 79 10.791 -1.512 -9.286 1.00 3.81 H new ATOM 0 HG12 ILE A 79 8.589 0.015 -8.450 1.00 4.11 H new ATOM 0 HG13 ILE A 79 9.924 0.626 -7.492 1.00 4.11 H new ATOM 0 HG21 ILE A 79 8.462 -2.273 -8.991 1.00 4.49 H new ATOM 0 HG22 ILE A 79 9.619 -3.358 -8.183 1.00 4.49 H new ATOM 0 HG23 ILE A 79 8.667 -2.199 -7.225 1.00 4.49 H new ATOM 0 HD11 ILE A 79 9.692 1.886 -9.576 1.00 4.56 H new ATOM 0 HD12 ILE A 79 11.240 1.009 -9.546 1.00 4.56 H new ATOM 0 HD13 ILE A 79 9.885 0.389 -10.518 1.00 4.56 H new ATOM 1131 N GLY A 80 12.308 -3.441 -6.293 1.00 2.87 N ATOM 1132 CA GLY A 80 13.082 -4.669 -6.349 1.00 2.77 C ATOM 1133 C GLY A 80 14.072 -4.768 -5.208 1.00 2.49 C ATOM 1134 O GLY A 80 14.429 -5.865 -4.778 1.00 2.38 O ATOM 0 H GLY A 80 11.934 -3.214 -5.372 1.00 2.87 H new ATOM 0 HA2 GLY A 80 12.407 -5.525 -6.319 1.00 2.77 H new ATOM 0 HA3 GLY A 80 13.616 -4.718 -7.298 1.00 2.77 H new ATOM 1138 N LYS A 81 14.506 -3.612 -4.709 1.00 2.47 N ATOM 1139 CA LYS A 81 15.456 -3.556 -3.600 1.00 2.30 C ATOM 1140 C LYS A 81 15.048 -4.519 -2.486 1.00 2.13 C ATOM 1141 O LYS A 81 15.871 -5.274 -1.971 1.00 1.92 O ATOM 1142 CB LYS A 81 15.546 -2.122 -3.064 1.00 2.45 C ATOM 1143 CG LYS A 81 16.183 -2.012 -1.684 1.00 2.98 C ATOM 1144 CD LYS A 81 15.138 -1.905 -0.580 1.00 3.54 C ATOM 1145 CE LYS A 81 14.595 -0.489 -0.450 1.00 4.27 C ATOM 1146 NZ LYS A 81 13.661 -0.143 -1.558 1.00 4.40 N ATOM 0 H LYS A 81 14.214 -2.699 -5.057 1.00 2.47 H new ATOM 0 HA LYS A 81 16.437 -3.861 -3.965 1.00 2.30 H new ATOM 0 HB2 LYS A 81 16.121 -1.518 -3.767 1.00 2.45 H new ATOM 0 HB3 LYS A 81 14.543 -1.697 -3.024 1.00 2.45 H new ATOM 0 HG2 LYS A 81 16.812 -2.884 -1.505 1.00 2.98 H new ATOM 0 HG3 LYS A 81 16.833 -1.138 -1.654 1.00 2.98 H new ATOM 0 HD2 LYS A 81 14.317 -2.591 -0.789 1.00 3.54 H new ATOM 0 HD3 LYS A 81 15.578 -2.214 0.368 1.00 3.54 H new ATOM 0 HE2 LYS A 81 14.079 -0.385 0.504 1.00 4.27 H new ATOM 0 HE3 LYS A 81 15.425 0.218 -0.442 1.00 4.27 H new ATOM 0 HZ1 LYS A 81 13.066 0.660 -1.272 1.00 4.40 H new ATOM 0 HZ2 LYS A 81 14.207 0.115 -2.405 1.00 4.40 H new ATOM 0 HZ3 LYS A 81 13.057 -0.962 -1.772 1.00 4.40 H new ATOM 1160 N GLU A 82 13.770 -4.484 -2.123 1.00 2.24 N ATOM 1161 CA GLU A 82 13.242 -5.353 -1.079 1.00 2.14 C ATOM 1162 C GLU A 82 13.531 -6.816 -1.396 1.00 1.94 C ATOM 1163 O GLU A 82 14.097 -7.536 -0.574 1.00 1.76 O ATOM 1164 CB GLU A 82 11.732 -5.135 -0.919 1.00 2.37 C ATOM 1165 CG GLU A 82 11.034 -4.679 -2.196 1.00 2.74 C ATOM 1166 CD GLU A 82 10.846 -3.173 -2.258 1.00 2.68 C ATOM 1167 OE1 GLU A 82 11.863 -2.446 -2.284 1.00 3.00 O ATOM 1168 OE2 GLU A 82 9.684 -2.721 -2.281 1.00 2.89 O ATOM 0 H GLU A 82 13.079 -3.860 -2.539 1.00 2.24 H new ATOM 0 HA GLU A 82 13.737 -5.100 -0.141 1.00 2.14 H new ATOM 0 HB2 GLU A 82 11.275 -6.064 -0.579 1.00 2.37 H new ATOM 0 HB3 GLU A 82 11.563 -4.392 -0.139 1.00 2.37 H new ATOM 0 HG2 GLU A 82 11.616 -5.004 -3.059 1.00 2.74 H new ATOM 0 HG3 GLU A 82 10.061 -5.165 -2.266 1.00 2.74 H new ATOM 1175 N GLU A 83 13.143 -7.249 -2.594 1.00 2.03 N ATOM 1176 CA GLU A 83 13.371 -8.626 -3.019 1.00 1.94 C ATOM 1177 C GLU A 83 14.842 -8.990 -2.856 1.00 1.73 C ATOM 1178 O GLU A 83 15.175 -10.048 -2.324 1.00 1.57 O ATOM 1179 CB GLU A 83 12.937 -8.816 -4.478 1.00 2.17 C ATOM 1180 CG GLU A 83 13.480 -10.084 -5.126 1.00 2.39 C ATOM 1181 CD GLU A 83 12.522 -11.258 -5.022 1.00 2.51 C ATOM 1182 OE1 GLU A 83 12.114 -11.594 -3.890 1.00 2.93 O ATOM 1183 OE2 GLU A 83 12.180 -11.842 -6.072 1.00 2.94 O ATOM 0 H GLU A 83 12.670 -6.667 -3.285 1.00 2.03 H new ATOM 0 HA GLU A 83 12.773 -9.286 -2.391 1.00 1.94 H new ATOM 0 HB2 GLU A 83 11.848 -8.835 -4.523 1.00 2.17 H new ATOM 0 HB3 GLU A 83 13.265 -7.954 -5.059 1.00 2.17 H new ATOM 0 HG2 GLU A 83 13.692 -9.887 -6.177 1.00 2.39 H new ATOM 0 HG3 GLU A 83 14.426 -10.351 -4.654 1.00 2.39 H new ATOM 1190 N ILE A 84 15.718 -8.103 -3.316 1.00 1.75 N ATOM 1191 CA ILE A 84 17.155 -8.327 -3.218 1.00 1.60 C ATOM 1192 C ILE A 84 17.563 -8.582 -1.770 1.00 1.38 C ATOM 1193 O ILE A 84 18.206 -9.588 -1.464 1.00 1.22 O ATOM 1194 CB ILE A 84 17.954 -7.124 -3.767 1.00 1.73 C ATOM 1195 CG1 ILE A 84 17.587 -6.858 -5.234 1.00 2.03 C ATOM 1196 CG2 ILE A 84 19.454 -7.362 -3.624 1.00 1.57 C ATOM 1197 CD1 ILE A 84 18.099 -7.912 -6.194 1.00 2.47 C ATOM 0 H ILE A 84 15.458 -7.223 -3.760 1.00 1.75 H new ATOM 0 HA ILE A 84 17.386 -9.205 -3.822 1.00 1.60 H new ATOM 0 HB ILE A 84 17.691 -6.243 -3.181 1.00 1.73 H new ATOM 0 HG12 ILE A 84 16.502 -6.796 -5.322 1.00 2.03 H new ATOM 0 HG13 ILE A 84 17.986 -5.887 -5.528 1.00 2.03 H new ATOM 0 HG21 ILE A 84 19.998 -6.503 -4.017 1.00 1.57 H new ATOM 0 HG22 ILE A 84 19.702 -7.498 -2.571 1.00 1.57 H new ATOM 0 HG23 ILE A 84 19.735 -8.255 -4.182 1.00 1.57 H new ATOM 0 HD11 ILE A 84 17.800 -7.655 -7.210 1.00 2.47 H new ATOM 0 HD12 ILE A 84 19.186 -7.959 -6.137 1.00 2.47 H new ATOM 0 HD13 ILE A 84 17.679 -8.882 -5.927 1.00 2.47 H new ATOM 1209 N GLN A 85 17.183 -7.667 -0.882 1.00 1.45 N ATOM 1210 CA GLN A 85 17.511 -7.793 0.535 1.00 1.35 C ATOM 1211 C GLN A 85 17.013 -9.120 1.096 1.00 1.19 C ATOM 1212 O GLN A 85 17.712 -9.774 1.867 1.00 1.05 O ATOM 1213 CB GLN A 85 16.921 -6.624 1.330 1.00 1.56 C ATOM 1214 CG GLN A 85 17.921 -5.513 1.614 1.00 1.77 C ATOM 1215 CD GLN A 85 18.269 -4.702 0.379 1.00 2.36 C ATOM 1216 OE1 GLN A 85 18.065 -3.489 0.344 1.00 2.80 O ATOM 1217 NE2 GLN A 85 18.798 -5.369 -0.639 1.00 3.13 N ATOM 0 H GLN A 85 16.648 -6.831 -1.118 1.00 1.45 H new ATOM 0 HA GLN A 85 18.596 -7.769 0.632 1.00 1.35 H new ATOM 0 HB2 GLN A 85 16.077 -6.209 0.778 1.00 1.56 H new ATOM 0 HB3 GLN A 85 16.530 -7.000 2.276 1.00 1.56 H new ATOM 0 HG2 GLN A 85 17.512 -4.849 2.375 1.00 1.77 H new ATOM 0 HG3 GLN A 85 18.832 -5.947 2.026 1.00 1.77 H new ATOM 0 HE21 GLN A 85 18.950 -6.375 -0.566 1.00 3.13 H new ATOM 0 HE22 GLN A 85 19.053 -4.876 -1.495 1.00 3.13 H new ATOM 1226 N GLN A 86 15.805 -9.514 0.706 1.00 1.26 N ATOM 1227 CA GLN A 86 15.230 -10.770 1.174 1.00 1.18 C ATOM 1228 C GLN A 86 16.078 -11.951 0.716 1.00 1.03 C ATOM 1229 O GLN A 86 16.400 -12.837 1.508 1.00 0.90 O ATOM 1230 CB GLN A 86 13.793 -10.926 0.671 1.00 1.37 C ATOM 1231 CG GLN A 86 13.058 -12.115 1.277 1.00 1.47 C ATOM 1232 CD GLN A 86 13.064 -12.098 2.795 1.00 2.31 C ATOM 1233 OE1 GLN A 86 12.123 -11.616 3.428 1.00 2.90 O ATOM 1234 NE2 GLN A 86 14.129 -12.624 3.389 1.00 3.09 N ATOM 0 H GLN A 86 15.208 -8.985 0.070 1.00 1.26 H new ATOM 0 HA GLN A 86 15.217 -10.752 2.264 1.00 1.18 H new ATOM 0 HB2 GLN A 86 13.238 -10.015 0.895 1.00 1.37 H new ATOM 0 HB3 GLN A 86 13.807 -11.033 -0.414 1.00 1.37 H new ATOM 0 HG2 GLN A 86 12.027 -12.119 0.922 1.00 1.47 H new ATOM 0 HG3 GLN A 86 13.519 -13.038 0.927 1.00 1.47 H new ATOM 0 HE21 GLN A 86 14.886 -13.013 2.827 1.00 3.09 H new ATOM 0 HE22 GLN A 86 14.190 -12.639 4.407 1.00 3.09 H new ATOM 1243 N ARG A 87 16.446 -11.954 -0.563 1.00 1.11 N ATOM 1244 CA ARG A 87 17.266 -13.024 -1.120 1.00 1.09 C ATOM 1245 C ARG A 87 18.612 -13.080 -0.409 1.00 0.91 C ATOM 1246 O ARG A 87 19.057 -14.145 0.021 1.00 0.87 O ATOM 1247 CB ARG A 87 17.471 -12.820 -2.624 1.00 1.29 C ATOM 1248 CG ARG A 87 18.112 -14.013 -3.321 1.00 1.78 C ATOM 1249 CD ARG A 87 17.589 -14.180 -4.740 1.00 2.22 C ATOM 1250 NE ARG A 87 17.583 -12.914 -5.469 1.00 2.81 N ATOM 1251 CZ ARG A 87 18.410 -12.619 -6.469 1.00 3.73 C ATOM 1252 NH1 ARG A 87 19.285 -13.524 -6.881 1.00 4.21 N ATOM 1253 NH2 ARG A 87 18.376 -11.424 -7.044 1.00 4.43 N ATOM 0 H ARG A 87 16.189 -11.228 -1.232 1.00 1.11 H new ATOM 0 HA ARG A 87 16.747 -13.970 -0.968 1.00 1.09 H new ATOM 0 HB2 ARG A 87 16.507 -12.614 -3.089 1.00 1.29 H new ATOM 0 HB3 ARG A 87 18.095 -11.940 -2.781 1.00 1.29 H new ATOM 0 HG2 ARG A 87 19.194 -13.883 -3.344 1.00 1.78 H new ATOM 0 HG3 ARG A 87 17.912 -14.920 -2.750 1.00 1.78 H new ATOM 0 HD2 ARG A 87 18.207 -14.903 -5.272 1.00 2.22 H new ATOM 0 HD3 ARG A 87 16.578 -14.586 -4.709 1.00 2.22 H new ATOM 0 HE ARG A 87 16.899 -12.209 -5.193 1.00 2.81 H new ATOM 0 HH11 ARG A 87 19.322 -14.439 -6.432 1.00 4.21 H new ATOM 0 HH12 ARG A 87 19.922 -13.306 -7.647 1.00 4.21 H new ATOM 0 HH21 ARG A 87 17.712 -10.721 -6.720 1.00 4.43 H new ATOM 0 HH22 ARG A 87 19.014 -11.208 -7.810 1.00 4.43 H new ATOM 1267 N LEU A 88 19.256 -11.924 -0.285 1.00 0.87 N ATOM 1268 CA LEU A 88 20.545 -11.842 0.382 1.00 0.78 C ATOM 1269 C LEU A 88 20.435 -12.383 1.802 1.00 0.71 C ATOM 1270 O LEU A 88 21.271 -13.170 2.244 1.00 0.67 O ATOM 1271 CB LEU A 88 21.040 -10.393 0.408 1.00 0.86 C ATOM 1272 CG LEU A 88 22.419 -10.188 1.041 1.00 1.04 C ATOM 1273 CD1 LEU A 88 23.481 -10.952 0.263 1.00 1.15 C ATOM 1274 CD2 LEU A 88 22.763 -8.706 1.112 1.00 1.90 C ATOM 0 H LEU A 88 18.905 -11.034 -0.638 1.00 0.87 H new ATOM 0 HA LEU A 88 21.263 -12.446 -0.172 1.00 0.78 H new ATOM 0 HB2 LEU A 88 21.067 -10.017 -0.615 1.00 0.86 H new ATOM 0 HB3 LEU A 88 20.315 -9.787 0.951 1.00 0.86 H new ATOM 0 HG LEU A 88 22.392 -10.579 2.058 1.00 1.04 H new ATOM 0 HD11 LEU A 88 24.455 -10.795 0.727 1.00 1.15 H new ATOM 0 HD12 LEU A 88 23.243 -12.016 0.270 1.00 1.15 H new ATOM 0 HD13 LEU A 88 23.507 -10.593 -0.766 1.00 1.15 H new ATOM 0 HD21 LEU A 88 23.747 -8.582 1.565 1.00 1.90 H new ATOM 0 HD22 LEU A 88 22.771 -8.286 0.106 1.00 1.90 H new ATOM 0 HD23 LEU A 88 22.018 -8.188 1.716 1.00 1.90 H new ATOM 1286 N ALA A 89 19.389 -11.960 2.507 1.00 0.77 N ATOM 1287 CA ALA A 89 19.155 -12.401 3.876 1.00 0.81 C ATOM 1288 C ALA A 89 18.955 -13.909 3.935 1.00 0.74 C ATOM 1289 O ALA A 89 19.346 -14.560 4.906 1.00 0.77 O ATOM 1290 CB ALA A 89 17.950 -11.681 4.464 1.00 0.97 C ATOM 0 H ALA A 89 18.689 -11.310 2.150 1.00 0.77 H new ATOM 0 HA ALA A 89 20.035 -12.153 4.470 1.00 0.81 H new ATOM 0 HB1 ALA A 89 17.787 -12.020 5.487 1.00 0.97 H new ATOM 0 HB2 ALA A 89 18.132 -10.606 4.463 1.00 0.97 H new ATOM 0 HB3 ALA A 89 17.067 -11.900 3.864 1.00 0.97 H new ATOM 1296 N GLN A 90 18.352 -14.463 2.887 1.00 0.73 N ATOM 1297 CA GLN A 90 18.113 -15.898 2.825 1.00 0.79 C ATOM 1298 C GLN A 90 19.429 -16.639 2.652 1.00 0.73 C ATOM 1299 O GLN A 90 19.637 -17.704 3.237 1.00 0.79 O ATOM 1300 CB GLN A 90 17.149 -16.253 1.686 1.00 0.90 C ATOM 1301 CG GLN A 90 16.760 -17.729 1.644 1.00 1.35 C ATOM 1302 CD GLN A 90 16.458 -18.305 3.017 1.00 1.96 C ATOM 1303 OE1 GLN A 90 15.829 -17.655 3.852 1.00 2.38 O ATOM 1304 NE2 GLN A 90 16.902 -19.532 3.258 1.00 2.72 N ATOM 0 H GLN A 90 18.022 -13.942 2.074 1.00 0.73 H new ATOM 0 HA GLN A 90 17.650 -16.205 3.763 1.00 0.79 H new ATOM 0 HB2 GLN A 90 16.245 -15.652 1.787 1.00 0.90 H new ATOM 0 HB3 GLN A 90 17.609 -15.981 0.736 1.00 0.90 H new ATOM 0 HG2 GLN A 90 15.885 -17.850 1.005 1.00 1.35 H new ATOM 0 HG3 GLN A 90 17.569 -18.299 1.187 1.00 1.35 H new ATOM 0 HE21 GLN A 90 17.420 -20.037 2.539 1.00 2.72 H new ATOM 0 HE22 GLN A 90 16.726 -19.970 4.162 1.00 2.72 H new ATOM 1313 N PHE A 91 20.326 -16.074 1.845 1.00 0.66 N ATOM 1314 CA PHE A 91 21.618 -16.700 1.622 1.00 0.67 C ATOM 1315 C PHE A 91 22.354 -16.842 2.943 1.00 0.67 C ATOM 1316 O PHE A 91 22.838 -17.918 3.278 1.00 0.74 O ATOM 1317 CB PHE A 91 22.485 -15.909 0.638 1.00 0.65 C ATOM 1318 CG PHE A 91 23.748 -16.645 0.299 1.00 0.66 C ATOM 1319 CD1 PHE A 91 24.759 -16.790 1.240 1.00 1.03 C ATOM 1320 CD2 PHE A 91 23.904 -17.237 -0.939 1.00 0.93 C ATOM 1321 CE1 PHE A 91 25.897 -17.512 0.948 1.00 1.19 C ATOM 1322 CE2 PHE A 91 25.042 -17.951 -1.239 1.00 0.92 C ATOM 1323 CZ PHE A 91 26.038 -18.093 -0.298 1.00 0.90 C ATOM 0 H PHE A 91 20.181 -15.197 1.344 1.00 0.66 H new ATOM 0 HA PHE A 91 21.433 -17.681 1.185 1.00 0.67 H new ATOM 0 HB2 PHE A 91 21.919 -15.717 -0.274 1.00 0.65 H new ATOM 0 HB3 PHE A 91 22.733 -14.939 1.069 1.00 0.65 H new ATOM 0 HD1 PHE A 91 24.653 -16.332 2.212 1.00 1.03 H new ATOM 0 HD2 PHE A 91 23.124 -17.139 -1.680 1.00 0.93 H new ATOM 0 HE1 PHE A 91 26.674 -17.623 1.689 1.00 1.19 H new ATOM 0 HE2 PHE A 91 25.154 -18.401 -2.214 1.00 0.92 H new ATOM 0 HZ PHE A 91 26.928 -18.658 -0.534 1.00 0.90 H new ATOM 1333 N VAL A 92 22.423 -15.749 3.699 1.00 0.64 N ATOM 1334 CA VAL A 92 23.098 -15.768 4.989 1.00 0.72 C ATOM 1335 C VAL A 92 22.619 -16.949 5.819 1.00 0.77 C ATOM 1336 O VAL A 92 23.426 -17.712 6.341 1.00 0.86 O ATOM 1337 CB VAL A 92 22.880 -14.463 5.783 1.00 0.77 C ATOM 1338 CG1 VAL A 92 24.059 -14.203 6.711 1.00 0.86 C ATOM 1339 CG2 VAL A 92 22.668 -13.287 4.841 1.00 1.37 C ATOM 0 H VAL A 92 22.023 -14.847 3.441 1.00 0.64 H new ATOM 0 HA VAL A 92 24.165 -15.863 4.787 1.00 0.72 H new ATOM 0 HB VAL A 92 21.982 -14.576 6.390 1.00 0.77 H new ATOM 0 HG11 VAL A 92 23.890 -13.279 7.264 1.00 0.86 H new ATOM 0 HG12 VAL A 92 24.160 -15.032 7.412 1.00 0.86 H new ATOM 0 HG13 VAL A 92 24.972 -14.112 6.123 1.00 0.86 H new ATOM 0 HG21 VAL A 92 22.516 -12.378 5.423 1.00 1.37 H new ATOM 0 HG22 VAL A 92 23.545 -13.168 4.204 1.00 1.37 H new ATOM 0 HG23 VAL A 92 21.791 -13.471 4.221 1.00 1.37 H new ATOM 1349 N ASP A 93 21.302 -17.116 5.909 1.00 0.77 N ATOM 1350 CA ASP A 93 20.733 -18.233 6.656 1.00 0.86 C ATOM 1351 C ASP A 93 21.342 -19.543 6.164 1.00 0.91 C ATOM 1352 O ASP A 93 21.928 -20.296 6.937 1.00 1.00 O ATOM 1353 CB ASP A 93 19.206 -18.262 6.508 1.00 0.90 C ATOM 1354 CG ASP A 93 18.630 -19.653 6.713 1.00 1.10 C ATOM 1355 OD1 ASP A 93 18.727 -20.176 7.843 1.00 1.55 O ATOM 1356 OD2 ASP A 93 18.092 -20.221 5.740 1.00 1.71 O ATOM 0 H ASP A 93 20.615 -16.498 5.478 1.00 0.77 H new ATOM 0 HA ASP A 93 20.967 -18.106 7.713 1.00 0.86 H new ATOM 0 HB2 ASP A 93 18.761 -17.577 7.230 1.00 0.90 H new ATOM 0 HB3 ASP A 93 18.933 -17.901 5.516 1.00 0.90 H new ATOM 1361 N HIS A 94 21.225 -19.795 4.865 1.00 0.89 N ATOM 1362 CA HIS A 94 21.784 -21.004 4.268 1.00 0.98 C ATOM 1363 C HIS A 94 23.241 -21.180 4.683 1.00 1.00 C ATOM 1364 O HIS A 94 23.619 -22.200 5.258 1.00 1.12 O ATOM 1365 CB HIS A 94 21.695 -20.926 2.748 1.00 1.00 C ATOM 1366 CG HIS A 94 20.343 -21.269 2.209 1.00 1.35 C ATOM 1367 ND1 HIS A 94 19.730 -22.486 2.401 1.00 2.17 N ATOM 1368 CD2 HIS A 94 19.479 -20.522 1.480 1.00 1.73 C ATOM 1369 CE1 HIS A 94 18.537 -22.443 1.793 1.00 2.46 C ATOM 1370 NE2 HIS A 94 18.335 -21.272 1.219 1.00 2.14 N ATOM 0 H HIS A 94 20.749 -19.180 4.205 1.00 0.89 H new ATOM 0 HA HIS A 94 21.209 -21.859 4.622 1.00 0.98 H new ATOM 0 HB2 HIS A 94 21.959 -19.918 2.428 1.00 1.00 H new ATOM 0 HB3 HIS A 94 22.432 -21.602 2.314 1.00 1.00 H new ATOM 0 HD2 HIS A 94 19.650 -19.507 1.153 1.00 1.73 H new ATOM 0 HE1 HIS A 94 17.832 -23.261 1.775 1.00 2.46 H new ATOM 0 HE2 HIS A 94 17.512 -20.977 0.693 1.00 2.14 H new ATOM 1378 N TRP A 95 24.051 -20.162 4.402 1.00 0.93 N ATOM 1379 CA TRP A 95 25.468 -20.181 4.745 1.00 1.00 C ATOM 1380 C TRP A 95 25.653 -20.531 6.218 1.00 1.06 C ATOM 1381 O TRP A 95 26.469 -21.382 6.573 1.00 1.16 O ATOM 1382 CB TRP A 95 26.090 -18.817 4.430 1.00 0.97 C ATOM 1383 CG TRP A 95 27.519 -18.673 4.856 1.00 1.09 C ATOM 1384 CD1 TRP A 95 28.072 -17.600 5.494 1.00 2.01 C ATOM 1385 CD2 TRP A 95 28.580 -19.620 4.673 1.00 1.04 C ATOM 1386 NE1 TRP A 95 29.408 -17.820 5.714 1.00 1.88 N ATOM 1387 CE2 TRP A 95 29.744 -19.052 5.223 1.00 1.04 C ATOM 1388 CE3 TRP A 95 28.663 -20.893 4.099 1.00 2.03 C ATOM 1389 CZ2 TRP A 95 30.970 -19.709 5.217 1.00 1.13 C ATOM 1390 CZ3 TRP A 95 29.881 -21.544 4.095 1.00 2.64 C ATOM 1391 CH2 TRP A 95 31.021 -20.951 4.650 1.00 2.05 C ATOM 0 H TRP A 95 23.746 -19.308 3.934 1.00 0.93 H new ATOM 0 HA TRP A 95 25.971 -20.944 4.151 1.00 1.00 H new ATOM 0 HB2 TRP A 95 26.025 -18.641 3.356 1.00 0.97 H new ATOM 0 HB3 TRP A 95 25.499 -18.041 4.917 1.00 0.97 H new ATOM 0 HD1 TRP A 95 27.536 -16.708 5.783 1.00 2.01 H new ATOM 0 HE1 TRP A 95 30.048 -17.170 6.170 1.00 1.88 H new ATOM 0 HE3 TRP A 95 27.790 -21.359 3.666 1.00 2.03 H new ATOM 0 HZ2 TRP A 95 31.851 -19.253 5.645 1.00 1.13 H new ATOM 0 HZ3 TRP A 95 29.955 -22.528 3.656 1.00 2.64 H new ATOM 0 HH2 TRP A 95 31.959 -21.486 4.630 1.00 2.05 H new ATOM 1402 N LYS A 96 24.872 -19.875 7.068 1.00 1.03 N ATOM 1403 CA LYS A 96 24.920 -20.122 8.501 1.00 1.12 C ATOM 1404 C LYS A 96 24.719 -21.608 8.772 1.00 1.21 C ATOM 1405 O LYS A 96 25.501 -22.231 9.487 1.00 1.32 O ATOM 1406 CB LYS A 96 23.845 -19.295 9.217 1.00 1.12 C ATOM 1407 CG LYS A 96 23.736 -19.572 10.713 1.00 1.49 C ATOM 1408 CD LYS A 96 22.735 -20.679 11.024 1.00 1.83 C ATOM 1409 CE LYS A 96 21.340 -20.355 10.505 1.00 2.36 C ATOM 1410 NZ LYS A 96 20.933 -21.265 9.398 1.00 2.86 N ATOM 0 H LYS A 96 24.196 -19.165 6.786 1.00 1.03 H new ATOM 0 HA LYS A 96 25.895 -19.822 8.884 1.00 1.12 H new ATOM 0 HB2 LYS A 96 24.059 -18.236 9.070 1.00 1.12 H new ATOM 0 HB3 LYS A 96 22.880 -19.493 8.751 1.00 1.12 H new ATOM 0 HG2 LYS A 96 24.716 -19.851 11.101 1.00 1.49 H new ATOM 0 HG3 LYS A 96 23.437 -18.659 11.229 1.00 1.49 H new ATOM 0 HD2 LYS A 96 23.079 -21.613 10.579 1.00 1.83 H new ATOM 0 HD3 LYS A 96 22.693 -20.836 12.102 1.00 1.83 H new ATOM 0 HE2 LYS A 96 20.622 -20.433 11.321 1.00 2.36 H new ATOM 0 HE3 LYS A 96 21.314 -19.323 10.155 1.00 2.36 H new ATOM 0 HZ1 LYS A 96 19.910 -21.175 9.233 1.00 2.86 H new ATOM 0 HZ2 LYS A 96 21.447 -21.009 8.531 1.00 2.86 H new ATOM 0 HZ3 LYS A 96 21.157 -22.247 9.656 1.00 2.86 H new ATOM 1424 N GLU A 97 23.670 -22.169 8.177 1.00 1.20 N ATOM 1425 CA GLU A 97 23.361 -23.585 8.331 1.00 1.32 C ATOM 1426 C GLU A 97 24.597 -24.432 8.030 1.00 1.36 C ATOM 1427 O GLU A 97 24.973 -25.302 8.818 1.00 1.47 O ATOM 1428 CB GLU A 97 22.174 -23.962 7.423 1.00 1.36 C ATOM 1429 CG GLU A 97 22.361 -25.221 6.580 1.00 1.86 C ATOM 1430 CD GLU A 97 22.215 -26.501 7.387 1.00 2.35 C ATOM 1431 OE1 GLU A 97 23.120 -26.804 8.197 1.00 2.68 O ATOM 1432 OE2 GLU A 97 21.200 -27.206 7.206 1.00 3.03 O ATOM 0 H GLU A 97 23.017 -21.660 7.581 1.00 1.20 H new ATOM 0 HA GLU A 97 23.071 -23.785 9.363 1.00 1.32 H new ATOM 0 HB2 GLU A 97 21.290 -24.092 8.047 1.00 1.36 H new ATOM 0 HB3 GLU A 97 21.972 -23.125 6.754 1.00 1.36 H new ATOM 0 HG2 GLU A 97 21.630 -25.222 5.771 1.00 1.86 H new ATOM 0 HG3 GLU A 97 23.348 -25.199 6.118 1.00 1.86 H new ATOM 1439 N LEU A 98 25.237 -24.161 6.894 1.00 1.31 N ATOM 1440 CA LEU A 98 26.438 -24.894 6.506 1.00 1.37 C ATOM 1441 C LEU A 98 27.489 -24.800 7.603 1.00 1.42 C ATOM 1442 O LEU A 98 28.052 -25.809 8.025 1.00 1.54 O ATOM 1443 CB LEU A 98 27.004 -24.352 5.190 1.00 1.31 C ATOM 1444 CG LEU A 98 28.143 -25.182 4.586 1.00 1.61 C ATOM 1445 CD1 LEU A 98 28.223 -24.972 3.080 1.00 2.07 C ATOM 1446 CD2 LEU A 98 29.472 -24.837 5.247 1.00 2.38 C ATOM 0 H LEU A 98 24.945 -23.443 6.230 1.00 1.31 H new ATOM 0 HA LEU A 98 26.168 -25.940 6.361 1.00 1.37 H new ATOM 0 HB2 LEU A 98 26.195 -24.289 4.462 1.00 1.31 H new ATOM 0 HB3 LEU A 98 27.363 -23.336 5.357 1.00 1.31 H new ATOM 0 HG LEU A 98 27.932 -26.235 4.774 1.00 1.61 H new ATOM 0 HD11 LEU A 98 29.038 -25.570 2.672 1.00 2.07 H new ATOM 0 HD12 LEU A 98 27.283 -25.277 2.620 1.00 2.07 H new ATOM 0 HD13 LEU A 98 28.405 -23.918 2.869 1.00 2.07 H new ATOM 0 HD21 LEU A 98 30.266 -25.438 4.803 1.00 2.38 H new ATOM 0 HD22 LEU A 98 29.690 -23.780 5.096 1.00 2.38 H new ATOM 0 HD23 LEU A 98 29.412 -25.047 6.315 1.00 2.38 H new ATOM 1458 N LYS A 99 27.743 -23.581 8.068 1.00 1.38 N ATOM 1459 CA LYS A 99 28.719 -23.356 9.125 1.00 1.47 C ATOM 1460 C LYS A 99 28.427 -24.260 10.321 1.00 1.60 C ATOM 1461 O LYS A 99 29.309 -24.975 10.797 1.00 1.74 O ATOM 1462 CB LYS A 99 28.713 -21.884 9.549 1.00 1.45 C ATOM 1463 CG LYS A 99 30.070 -21.208 9.421 1.00 1.90 C ATOM 1464 CD LYS A 99 30.051 -19.794 9.992 1.00 2.41 C ATOM 1465 CE LYS A 99 30.042 -18.741 8.893 1.00 3.14 C ATOM 1466 NZ LYS A 99 31.406 -18.212 8.615 1.00 4.07 N ATOM 0 H LYS A 99 27.286 -22.735 7.729 1.00 1.38 H new ATOM 0 HA LYS A 99 29.710 -23.602 8.743 1.00 1.47 H new ATOM 0 HB2 LYS A 99 27.988 -21.342 8.941 1.00 1.45 H new ATOM 0 HB3 LYS A 99 28.378 -21.814 10.584 1.00 1.45 H new ATOM 0 HG2 LYS A 99 30.822 -21.801 9.941 1.00 1.90 H new ATOM 0 HG3 LYS A 99 30.362 -21.173 8.371 1.00 1.90 H new ATOM 0 HD2 LYS A 99 29.171 -19.669 10.623 1.00 2.41 H new ATOM 0 HD3 LYS A 99 30.923 -19.647 10.629 1.00 2.41 H new ATOM 0 HE2 LYS A 99 29.628 -19.172 7.982 1.00 3.14 H new ATOM 0 HE3 LYS A 99 29.387 -17.920 9.183 1.00 3.14 H new ATOM 0 HZ1 LYS A 99 31.436 -17.196 8.836 1.00 4.07 H new ATOM 0 HZ2 LYS A 99 32.100 -18.715 9.204 1.00 4.07 H new ATOM 0 HZ3 LYS A 99 31.636 -18.354 7.611 1.00 4.07 H new ATOM 1480 N GLN A 100 27.179 -24.244 10.791 1.00 1.58 N ATOM 1481 CA GLN A 100 26.780 -25.080 11.920 1.00 1.72 C ATOM 1482 C GLN A 100 27.120 -26.544 11.650 1.00 1.81 C ATOM 1483 O GLN A 100 27.798 -27.191 12.447 1.00 1.95 O ATOM 1484 CB GLN A 100 25.279 -24.946 12.206 1.00 1.71 C ATOM 1485 CG GLN A 100 24.771 -23.511 12.247 1.00 1.93 C ATOM 1486 CD GLN A 100 25.743 -22.550 12.905 1.00 2.66 C ATOM 1487 OE1 GLN A 100 26.006 -21.465 12.386 1.00 3.23 O ATOM 1488 NE2 GLN A 100 26.276 -22.940 14.057 1.00 3.33 N ATOM 0 H GLN A 100 26.432 -23.664 10.409 1.00 1.58 H new ATOM 0 HA GLN A 100 27.333 -24.738 12.795 1.00 1.72 H new ATOM 0 HB2 GLN A 100 24.726 -25.492 11.442 1.00 1.71 H new ATOM 0 HB3 GLN A 100 25.060 -25.423 13.161 1.00 1.71 H new ATOM 0 HG2 GLN A 100 24.570 -23.175 11.230 1.00 1.93 H new ATOM 0 HG3 GLN A 100 23.823 -23.483 12.785 1.00 1.93 H new ATOM 0 HE21 GLN A 100 26.030 -23.848 14.451 1.00 3.33 H new ATOM 0 HE22 GLN A 100 26.931 -22.332 14.548 1.00 3.33 H new ATOM 1497 N LEU A 101 26.642 -27.060 10.519 1.00 1.77 N ATOM 1498 CA LEU A 101 26.900 -28.448 10.147 1.00 1.89 C ATOM 1499 C LEU A 101 28.396 -28.752 10.188 1.00 1.96 C ATOM 1500 O LEU A 101 28.812 -29.790 10.700 1.00 2.12 O ATOM 1501 CB LEU A 101 26.333 -28.743 8.757 1.00 1.86 C ATOM 1502 CG LEU A 101 24.817 -28.970 8.718 1.00 2.09 C ATOM 1503 CD1 LEU A 101 24.182 -28.206 7.563 1.00 2.56 C ATOM 1504 CD2 LEU A 101 24.500 -30.456 8.625 1.00 2.59 C ATOM 0 H LEU A 101 26.077 -26.540 9.848 1.00 1.77 H new ATOM 0 HA LEU A 101 26.401 -29.093 10.870 1.00 1.89 H new ATOM 0 HB2 LEU A 101 26.579 -27.913 8.095 1.00 1.86 H new ATOM 0 HB3 LEU A 101 26.829 -29.627 8.357 1.00 1.86 H new ATOM 0 HG LEU A 101 24.392 -28.588 9.646 1.00 2.09 H new ATOM 0 HD11 LEU A 101 23.107 -28.383 7.557 1.00 2.56 H new ATOM 0 HD12 LEU A 101 24.373 -27.140 7.683 1.00 2.56 H new ATOM 0 HD13 LEU A 101 24.611 -28.548 6.621 1.00 2.56 H new ATOM 0 HD21 LEU A 101 23.419 -30.597 8.598 1.00 2.59 H new ATOM 0 HD22 LEU A 101 24.942 -30.866 7.717 1.00 2.59 H new ATOM 0 HD23 LEU A 101 24.912 -30.971 9.493 1.00 2.59 H new ATOM 1516 N ALA A 102 29.201 -27.837 9.652 1.00 1.86 N ATOM 1517 CA ALA A 102 30.648 -28.007 9.643 1.00 1.95 C ATOM 1518 C ALA A 102 31.169 -28.220 11.061 1.00 2.09 C ATOM 1519 O ALA A 102 31.919 -29.161 11.325 1.00 2.24 O ATOM 1520 CB ALA A 102 31.317 -26.801 8.998 1.00 1.85 C ATOM 0 H ALA A 102 28.874 -26.973 9.220 1.00 1.86 H new ATOM 0 HA ALA A 102 30.892 -28.891 9.054 1.00 1.95 H new ATOM 0 HB1 ALA A 102 32.398 -26.941 8.998 1.00 1.85 H new ATOM 0 HB2 ALA A 102 30.965 -26.695 7.972 1.00 1.85 H new ATOM 0 HB3 ALA A 102 31.068 -25.902 9.562 1.00 1.85 H new ATOM 1526 N ALA A 103 30.756 -27.345 11.974 1.00 2.07 N ATOM 1527 CA ALA A 103 31.168 -27.447 13.368 1.00 2.24 C ATOM 1528 C ALA A 103 30.816 -28.820 13.926 1.00 2.38 C ATOM 1529 O ALA A 103 31.642 -29.476 14.564 1.00 2.56 O ATOM 1530 CB ALA A 103 30.516 -26.349 14.197 1.00 2.21 C ATOM 0 H ALA A 103 30.138 -26.559 11.773 1.00 2.07 H new ATOM 0 HA ALA A 103 32.249 -27.321 13.421 1.00 2.24 H new ATOM 0 HB1 ALA A 103 30.834 -26.440 15.236 1.00 2.21 H new ATOM 0 HB2 ALA A 103 30.814 -25.375 13.810 1.00 2.21 H new ATOM 0 HB3 ALA A 103 29.432 -26.445 14.140 1.00 2.21 H new ATOM 1536 N ALA A 104 29.583 -29.252 13.673 1.00 2.34 N ATOM 1537 CA ALA A 104 29.118 -30.554 14.137 1.00 2.50 C ATOM 1538 C ALA A 104 30.076 -31.650 13.686 1.00 2.58 C ATOM 1539 O ALA A 104 30.535 -32.458 14.494 1.00 2.74 O ATOM 1540 CB ALA A 104 27.712 -30.829 13.626 1.00 2.48 C ATOM 0 H ALA A 104 28.889 -28.719 13.149 1.00 2.34 H new ATOM 0 HA ALA A 104 29.091 -30.546 15.227 1.00 2.50 H new ATOM 0 HB1 ALA A 104 27.380 -31.805 13.981 1.00 2.48 H new ATOM 0 HB2 ALA A 104 27.034 -30.059 13.994 1.00 2.48 H new ATOM 0 HB3 ALA A 104 27.713 -30.821 12.536 1.00 2.48 H new ATOM 1546 N ARG A 105 30.384 -31.660 12.389 1.00 2.50 N ATOM 1547 CA ARG A 105 31.300 -32.649 11.827 1.00 2.60 C ATOM 1548 C ARG A 105 32.540 -32.779 12.705 1.00 2.72 C ATOM 1549 O ARG A 105 32.953 -33.886 13.052 1.00 2.88 O ATOM 1550 CB ARG A 105 31.700 -32.261 10.401 1.00 2.49 C ATOM 1551 CG ARG A 105 32.358 -33.391 9.621 1.00 2.62 C ATOM 1552 CD ARG A 105 31.494 -33.860 8.459 1.00 2.76 C ATOM 1553 NE ARG A 105 30.611 -34.964 8.837 1.00 3.19 N ATOM 1554 CZ ARG A 105 30.503 -36.102 8.154 1.00 3.86 C ATOM 1555 NH1 ARG A 105 31.200 -36.272 7.041 1.00 4.42 N ATOM 1556 NH2 ARG A 105 29.710 -37.074 8.588 1.00 4.39 N ATOM 0 H ARG A 105 30.013 -30.995 11.710 1.00 2.50 H new ATOM 0 HA ARG A 105 30.791 -33.612 11.794 1.00 2.60 H new ATOM 0 HB2 ARG A 105 30.813 -31.928 9.862 1.00 2.49 H new ATOM 0 HB3 ARG A 105 32.384 -31.414 10.443 1.00 2.49 H new ATOM 0 HG2 ARG A 105 33.324 -33.056 9.243 1.00 2.62 H new ATOM 0 HG3 ARG A 105 32.551 -34.229 10.291 1.00 2.62 H new ATOM 0 HD2 ARG A 105 30.894 -33.026 8.095 1.00 2.76 H new ATOM 0 HD3 ARG A 105 32.135 -34.175 7.636 1.00 2.76 H new ATOM 0 HE ARG A 105 30.042 -34.855 9.677 1.00 3.19 H new ATOM 0 HH11 ARG A 105 31.818 -35.532 6.708 1.00 4.42 H new ATOM 0 HH12 ARG A 105 31.119 -37.143 6.516 1.00 4.42 H new ATOM 0 HH21 ARG A 105 29.178 -36.952 9.450 1.00 4.39 H new ATOM 0 HH22 ARG A 105 29.632 -37.943 8.060 1.00 4.39 H new ATOM 1570 N GLY A 106 33.121 -31.636 13.071 1.00 2.67 N ATOM 1571 CA GLY A 106 34.301 -31.640 13.921 1.00 2.83 C ATOM 1572 C GLY A 106 34.071 -32.433 15.192 1.00 3.06 C ATOM 1573 O GLY A 106 34.871 -33.300 15.544 1.00 3.27 O ATOM 0 H GLY A 106 32.796 -30.710 12.794 1.00 2.67 H new ATOM 0 HA2 GLY A 106 35.143 -32.065 13.374 1.00 2.83 H new ATOM 0 HA3 GLY A 106 34.571 -30.615 14.175 1.00 2.83 H new ATOM 1577 N GLN A 107 32.963 -32.144 15.871 1.00 3.06 N ATOM 1578 CA GLN A 107 32.611 -32.847 17.104 1.00 3.32 C ATOM 1579 C GLN A 107 32.333 -34.319 16.810 1.00 3.48 C ATOM 1580 O GLN A 107 32.483 -35.177 17.680 1.00 3.75 O ATOM 1581 CB GLN A 107 31.383 -32.205 17.756 1.00 3.32 C ATOM 1582 CG GLN A 107 31.685 -30.907 18.492 1.00 3.59 C ATOM 1583 CD GLN A 107 31.850 -29.727 17.553 1.00 3.56 C ATOM 1584 OE1 GLN A 107 30.733 -29.187 17.079 1.00 3.65 O flip ATOM 1585 NE2 GLN A 107 32.968 -29.304 17.258 1.00 4.07 N flip ATOM 0 H GLN A 107 32.293 -31.428 15.589 1.00 3.06 H new ATOM 0 HA GLN A 107 33.452 -32.774 17.794 1.00 3.32 H new ATOM 0 HB2 GLN A 107 30.635 -32.010 16.987 1.00 3.32 H new ATOM 0 HB3 GLN A 107 30.943 -32.915 18.456 1.00 3.32 H new ATOM 0 HG2 GLN A 107 30.879 -30.697 19.195 1.00 3.59 H new ATOM 0 HG3 GLN A 107 32.596 -31.030 19.078 1.00 3.59 H new ATOM 0 HE21 GLN A 107 33.800 -29.749 17.645 1.00 4.07 H new ATOM 0 HE22 GLN A 107 33.062 -28.509 16.626 1.00 4.07 H new TER 1594 GLN A 107