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 85 GLN :FLIP amide:sc= -0.587 X(o=-0.89,f=-0.59) USER MOD Set 1.2: A 86 GLN : amide:sc=-0.00411 X(o=-0.59,f=-0.85) USER MOD Set 2.1: A 78 THR OG1 : rot -156:sc= 0.266 USER MOD Set 2.2: A 81 LYS NZ :NH3+ -124:sc= -2.91! (180deg=-6.53!) USER MOD Set 3.1: A 43 GLN : amide:sc= -0.875 K(o=-2.4,f=-7.4) USER MOD Set 3.2: A 47 LYS NZ :NH3+ -127:sc= -1.48 (180deg=-2.96!) USER MOD Set 4.1: A 31 SER OG : rot -70:sc= 1.19 USER MOD Set 4.2: A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0.965 K(o=0.96,f=-7.5!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 104:sc= 0.24 USER MOD Single : A 24 LYS NZ :NH3+ -178:sc= -0.11 (180deg=-0.158) USER MOD Single : A 26 LYS NZ :NH3+ -163:sc= 0.73 (180deg=0.228) USER MOD Single : A 27 LYS NZ :NH3+ -128:sc= 0.765 (180deg=-0.683) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 163:sc= -0.599 USER MOD Single : A 44 ASN :FLIP amide:sc= -1.91 F(o=-4.3,f=-1.9) USER MOD Single : A 48 LYS NZ :NH3+ 178:sc= 2.17 (180deg=2.16) USER MOD Single : A 49 HIS : no HE2:sc= -3.65! C(o=-3.6!,f=-6.2!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0.326 (180deg=0.326) USER MOD Single : A 59 HIS : no HE2:sc= -7.11 K(o=-7.1,f=-11!) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.266 F(o=-0.85,f=-0.27) USER MOD Single : A 69 THR OG1 : rot -10:sc= 0.814 USER MOD Single : A 71 LYS NZ :NH3+ -162:sc= 0.827 (180deg=0.601) USER MOD Single : A 72 LYS NZ :NH3+ -127:sc= 0.211 (180deg=-3.13!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.00629 USER MOD Single : A 77 ASN : amide:sc= -1.13 K(o=-1.1,f=-2.4!) USER MOD Single : A 90 GLN : amide:sc= -0.287 K(o=-0.29,f=-1) USER MOD Single : A 94 HIS : no HE2:sc= -0.189 K(o=-0.19,f=-2.8) USER MOD Single : A 96 LYS NZ :NH3+ -155:sc= 0.308 (180deg=0.125) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN :FLIP amide:sc= -3.13! C(o=-5.4!,f=-3.1!) USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 10 25.008 -7.194 -13.571 1.00 1.70 N ATOM 2 CA HIS A 10 24.592 -8.402 -14.283 1.00 1.73 C ATOM 3 C HIS A 10 25.434 -9.596 -13.854 1.00 1.58 C ATOM 4 O HIS A 10 24.937 -10.719 -13.757 1.00 1.52 O ATOM 5 CB HIS A 10 24.700 -8.197 -15.797 1.00 2.04 C ATOM 6 CG HIS A 10 24.233 -9.376 -16.592 1.00 2.54 C ATOM 7 ND1 HIS A 10 25.050 -10.115 -17.420 1.00 3.19 N ATOM 8 CD2 HIS A 10 23.004 -9.947 -16.672 1.00 3.29 C ATOM 9 CE1 HIS A 10 24.308 -11.090 -17.965 1.00 4.01 C ATOM 10 NE2 HIS A 10 23.060 -11.032 -17.542 1.00 4.11 N ATOM 0 HA HIS A 10 23.551 -8.603 -14.031 1.00 1.73 H new ATOM 0 HB2 HIS A 10 24.114 -7.322 -16.080 1.00 2.04 H new ATOM 0 HB3 HIS A 10 25.737 -7.983 -16.054 1.00 2.04 H new ATOM 0 HD2 HIS A 10 22.123 -9.613 -16.144 1.00 3.29 H new ATOM 0 HE1 HIS A 10 24.683 -11.827 -18.660 1.00 4.01 H new ATOM 0 HE2 HIS A 10 22.294 -11.654 -17.799 1.00 4.11 H new ATOM 18 N GLN A 11 26.710 -9.344 -13.591 1.00 1.60 N ATOM 19 CA GLN A 11 27.616 -10.396 -13.158 1.00 1.56 C ATOM 20 C GLN A 11 27.217 -10.872 -11.774 1.00 1.29 C ATOM 21 O GLN A 11 27.237 -12.066 -11.489 1.00 1.26 O ATOM 22 CB GLN A 11 29.058 -9.896 -13.134 1.00 1.75 C ATOM 23 CG GLN A 11 29.584 -9.457 -14.497 1.00 2.28 C ATOM 24 CD GLN A 11 29.397 -7.975 -14.757 1.00 3.08 C ATOM 25 OE1 GLN A 11 28.308 -7.432 -14.570 1.00 3.64 O ATOM 26 NE2 GLN A 11 30.459 -7.311 -15.196 1.00 3.73 N ATOM 0 H GLN A 11 27.139 -8.422 -13.670 1.00 1.60 H new ATOM 0 HA GLN A 11 27.550 -11.223 -13.865 1.00 1.56 H new ATOM 0 HB2 GLN A 11 29.130 -9.058 -12.441 1.00 1.75 H new ATOM 0 HB3 GLN A 11 29.700 -10.687 -12.746 1.00 1.75 H new ATOM 0 HG2 GLN A 11 30.644 -9.701 -14.567 1.00 2.28 H new ATOM 0 HG3 GLN A 11 29.074 -10.024 -15.276 1.00 2.28 H new ATOM 0 HE21 GLN A 11 31.343 -7.799 -15.338 1.00 3.73 H new ATOM 0 HE22 GLN A 11 30.391 -6.312 -15.392 1.00 3.73 H new ATOM 35 N PHE A 12 26.846 -9.924 -10.914 1.00 1.14 N ATOM 36 CA PHE A 12 26.438 -10.252 -9.560 1.00 0.98 C ATOM 37 C PHE A 12 25.447 -11.399 -9.581 1.00 0.94 C ATOM 38 O PHE A 12 25.582 -12.354 -8.832 1.00 0.91 O ATOM 39 CB PHE A 12 25.820 -9.042 -8.847 1.00 0.98 C ATOM 40 CG PHE A 12 25.101 -9.426 -7.584 1.00 0.86 C ATOM 41 CD1 PHE A 12 25.781 -9.500 -6.381 1.00 0.83 C ATOM 42 CD2 PHE A 12 23.740 -9.678 -7.595 1.00 0.86 C ATOM 43 CE1 PHE A 12 25.118 -9.821 -5.214 1.00 0.77 C ATOM 44 CE2 PHE A 12 23.071 -9.994 -6.428 1.00 0.82 C ATOM 45 CZ PHE A 12 23.782 -10.203 -5.267 1.00 0.76 C ATOM 0 H PHE A 12 26.822 -8.929 -11.135 1.00 1.14 H new ATOM 0 HA PHE A 12 27.329 -10.548 -9.006 1.00 0.98 H new ATOM 0 HB2 PHE A 12 26.605 -8.323 -8.611 1.00 0.98 H new ATOM 0 HB3 PHE A 12 25.123 -8.543 -9.521 1.00 0.98 H new ATOM 0 HD1 PHE A 12 26.843 -9.304 -6.355 1.00 0.83 H new ATOM 0 HD2 PHE A 12 23.195 -9.627 -8.526 1.00 0.86 H new ATOM 0 HE1 PHE A 12 25.633 -9.776 -4.266 1.00 0.77 H new ATOM 0 HE2 PHE A 12 21.994 -10.077 -6.426 1.00 0.82 H new ATOM 0 HZ PHE A 12 23.308 -10.657 -4.409 1.00 0.76 H new ATOM 55 N PHE A 13 24.455 -11.312 -10.457 1.00 1.03 N ATOM 56 CA PHE A 13 23.460 -12.369 -10.557 1.00 1.16 C ATOM 57 C PHE A 13 24.144 -13.722 -10.697 1.00 1.12 C ATOM 58 O PHE A 13 23.859 -14.655 -9.944 1.00 1.08 O ATOM 59 CB PHE A 13 22.525 -12.129 -11.750 1.00 1.42 C ATOM 60 CG PHE A 13 21.348 -11.258 -11.424 1.00 1.67 C ATOM 61 CD1 PHE A 13 21.502 -9.892 -11.262 1.00 2.16 C ATOM 62 CD2 PHE A 13 20.086 -11.807 -11.270 1.00 1.91 C ATOM 63 CE1 PHE A 13 20.421 -9.090 -10.952 1.00 2.70 C ATOM 64 CE2 PHE A 13 19.002 -11.010 -10.962 1.00 2.42 C ATOM 65 CZ PHE A 13 19.169 -9.651 -10.802 1.00 2.77 C ATOM 0 H PHE A 13 24.319 -10.532 -11.100 1.00 1.03 H new ATOM 0 HA PHE A 13 22.863 -12.362 -9.645 1.00 1.16 H new ATOM 0 HB2 PHE A 13 23.093 -11.670 -12.560 1.00 1.42 H new ATOM 0 HB3 PHE A 13 22.165 -13.090 -12.118 1.00 1.42 H new ATOM 0 HD1 PHE A 13 22.479 -9.448 -11.379 1.00 2.16 H new ATOM 0 HD2 PHE A 13 19.948 -12.871 -11.392 1.00 1.91 H new ATOM 0 HE1 PHE A 13 20.555 -8.026 -10.827 1.00 2.70 H new ATOM 0 HE2 PHE A 13 18.023 -11.451 -10.846 1.00 2.42 H new ATOM 0 HZ PHE A 13 18.322 -9.027 -10.560 1.00 2.77 H new ATOM 75 N ARG A 14 25.060 -13.818 -11.655 1.00 1.21 N ATOM 76 CA ARG A 14 25.787 -15.058 -11.882 1.00 1.30 C ATOM 77 C ARG A 14 26.608 -15.449 -10.659 1.00 1.14 C ATOM 78 O ARG A 14 26.523 -16.587 -10.196 1.00 1.12 O ATOM 79 CB ARG A 14 26.694 -14.944 -13.116 1.00 1.55 C ATOM 80 CG ARG A 14 27.131 -16.288 -13.688 1.00 1.71 C ATOM 81 CD ARG A 14 25.948 -17.214 -13.937 1.00 2.48 C ATOM 82 NE ARG A 14 25.850 -18.260 -12.920 1.00 2.80 N ATOM 83 CZ ARG A 14 24.726 -18.905 -12.618 1.00 3.53 C ATOM 84 NH1 ARG A 14 23.593 -18.613 -13.244 1.00 4.35 N ATOM 85 NH2 ARG A 14 24.737 -19.844 -11.684 1.00 3.79 N ATOM 0 H ARG A 14 25.314 -13.055 -12.283 1.00 1.21 H new ATOM 0 HA ARG A 14 25.051 -15.841 -12.063 1.00 1.30 H new ATOM 0 HB2 ARG A 14 26.169 -14.384 -13.890 1.00 1.55 H new ATOM 0 HB3 ARG A 14 27.580 -14.367 -12.851 1.00 1.55 H new ATOM 0 HG2 ARG A 14 27.668 -16.127 -14.623 1.00 1.71 H new ATOM 0 HG3 ARG A 14 27.827 -16.766 -12.999 1.00 1.71 H new ATOM 0 HD2 ARG A 14 25.027 -16.631 -13.948 1.00 2.48 H new ATOM 0 HD3 ARG A 14 26.047 -17.673 -14.921 1.00 2.48 H new ATOM 0 HE ARG A 14 26.697 -18.511 -12.410 1.00 2.80 H new ATOM 0 HH11 ARG A 14 23.579 -17.889 -13.963 1.00 4.35 H new ATOM 0 HH12 ARG A 14 22.736 -19.112 -13.006 1.00 4.35 H new ATOM 0 HH21 ARG A 14 25.605 -20.071 -11.199 1.00 3.79 H new ATOM 0 HH22 ARG A 14 23.877 -20.340 -11.450 1.00 3.79 H new ATOM 99 N ASP A 15 27.414 -14.522 -10.137 1.00 1.12 N ATOM 100 CA ASP A 15 28.240 -14.837 -8.974 1.00 1.14 C ATOM 101 C ASP A 15 27.381 -15.254 -7.774 1.00 1.00 C ATOM 102 O ASP A 15 27.770 -16.135 -7.008 1.00 1.05 O ATOM 103 CB ASP A 15 29.216 -13.687 -8.633 1.00 1.29 C ATOM 104 CG ASP A 15 28.603 -12.478 -7.934 1.00 1.49 C ATOM 105 OD1 ASP A 15 27.617 -12.633 -7.190 1.00 2.10 O ATOM 106 OD2 ASP A 15 29.134 -11.363 -8.126 1.00 1.84 O ATOM 0 H ASP A 15 27.511 -13.570 -10.492 1.00 1.12 H new ATOM 0 HA ASP A 15 28.858 -15.697 -9.233 1.00 1.14 H new ATOM 0 HB2 ASP A 15 30.009 -14.085 -8.000 1.00 1.29 H new ATOM 0 HB3 ASP A 15 29.685 -13.349 -9.557 1.00 1.29 H new ATOM 111 N MET A 16 26.201 -14.648 -7.626 1.00 0.93 N ATOM 112 CA MET A 16 25.305 -14.987 -6.528 1.00 0.98 C ATOM 113 C MET A 16 24.816 -16.418 -6.669 1.00 0.88 C ATOM 114 O MET A 16 24.939 -17.221 -5.745 1.00 0.88 O ATOM 115 CB MET A 16 24.108 -14.036 -6.498 1.00 1.15 C ATOM 116 CG MET A 16 23.764 -13.529 -5.107 1.00 1.45 C ATOM 117 SD MET A 16 22.047 -13.000 -4.966 1.00 1.92 S ATOM 118 CE MET A 16 21.245 -14.546 -4.544 1.00 2.23 C ATOM 0 H MET A 16 25.848 -13.924 -8.252 1.00 0.93 H new ATOM 0 HA MET A 16 25.858 -14.888 -5.594 1.00 0.98 H new ATOM 0 HB2 MET A 16 24.317 -13.183 -7.144 1.00 1.15 H new ATOM 0 HB3 MET A 16 23.239 -14.546 -6.914 1.00 1.15 H new ATOM 0 HG2 MET A 16 23.958 -14.317 -4.379 1.00 1.45 H new ATOM 0 HG3 MET A 16 24.419 -12.695 -4.856 1.00 1.45 H new ATOM 0 HE1 MET A 16 20.175 -14.380 -4.424 1.00 2.23 H new ATOM 0 HE2 MET A 16 21.412 -15.272 -5.340 1.00 2.23 H new ATOM 0 HE3 MET A 16 21.660 -14.928 -3.611 1.00 2.23 H new ATOM 128 N ASP A 17 24.264 -16.734 -7.840 1.00 0.91 N ATOM 129 CA ASP A 17 23.760 -18.071 -8.100 1.00 0.97 C ATOM 130 C ASP A 17 24.842 -19.104 -7.835 1.00 0.88 C ATOM 131 O ASP A 17 24.605 -20.079 -7.136 1.00 0.86 O ATOM 132 CB ASP A 17 23.253 -18.187 -9.540 1.00 1.19 C ATOM 133 CG ASP A 17 22.500 -19.481 -9.795 1.00 1.80 C ATOM 134 OD1 ASP A 17 23.025 -20.559 -9.437 1.00 2.46 O ATOM 135 OD2 ASP A 17 21.387 -19.418 -10.356 1.00 2.44 O ATOM 0 H ASP A 17 24.157 -16.082 -8.617 1.00 0.91 H new ATOM 0 HA ASP A 17 22.924 -18.260 -7.426 1.00 0.97 H new ATOM 0 HB2 ASP A 17 22.600 -17.342 -9.760 1.00 1.19 H new ATOM 0 HB3 ASP A 17 24.099 -18.123 -10.225 1.00 1.19 H new ATOM 140 N ASP A 18 26.033 -18.880 -8.381 1.00 0.95 N ATOM 141 CA ASP A 18 27.144 -19.801 -8.179 1.00 1.09 C ATOM 142 C ASP A 18 27.348 -20.071 -6.693 1.00 1.01 C ATOM 143 O ASP A 18 27.433 -21.225 -6.272 1.00 1.05 O ATOM 144 CB ASP A 18 28.426 -19.231 -8.794 1.00 1.33 C ATOM 145 CG ASP A 18 28.540 -19.514 -10.282 1.00 1.90 C ATOM 146 OD1 ASP A 18 27.494 -19.558 -10.961 1.00 2.48 O ATOM 147 OD2 ASP A 18 29.676 -19.687 -10.769 1.00 2.49 O ATOM 0 H ASP A 18 26.252 -18.072 -8.964 1.00 0.95 H new ATOM 0 HA ASP A 18 26.907 -20.743 -8.674 1.00 1.09 H new ATOM 0 HB2 ASP A 18 28.455 -18.154 -8.630 1.00 1.33 H new ATOM 0 HB3 ASP A 18 29.289 -19.654 -8.281 1.00 1.33 H new ATOM 152 N GLU A 19 27.409 -19.007 -5.900 1.00 1.02 N ATOM 153 CA GLU A 19 27.585 -19.148 -4.461 1.00 1.12 C ATOM 154 C GLU A 19 26.409 -19.913 -3.858 1.00 0.89 C ATOM 155 O GLU A 19 26.584 -20.977 -3.260 1.00 0.88 O ATOM 156 CB GLU A 19 27.719 -17.774 -3.805 1.00 1.38 C ATOM 157 CG GLU A 19 28.385 -17.824 -2.443 1.00 2.04 C ATOM 158 CD GLU A 19 27.418 -17.597 -1.291 1.00 2.53 C ATOM 159 OE1 GLU A 19 26.199 -17.481 -1.544 1.00 3.02 O ATOM 160 OE2 GLU A 19 27.881 -17.535 -0.133 1.00 3.07 O ATOM 0 H GLU A 19 27.340 -18.043 -6.227 1.00 1.02 H new ATOM 0 HA GLU A 19 28.499 -19.711 -4.274 1.00 1.12 H new ATOM 0 HB2 GLU A 19 28.295 -17.121 -4.460 1.00 1.38 H new ATOM 0 HB3 GLU A 19 26.729 -17.330 -3.702 1.00 1.38 H new ATOM 0 HG2 GLU A 19 28.867 -18.793 -2.318 1.00 2.04 H new ATOM 0 HG3 GLU A 19 29.171 -17.070 -2.403 1.00 2.04 H new ATOM 167 N GLU A 20 25.205 -19.371 -4.034 1.00 0.84 N ATOM 168 CA GLU A 20 23.994 -20.009 -3.526 1.00 0.84 C ATOM 169 C GLU A 20 23.946 -21.475 -3.952 1.00 0.73 C ATOM 170 O GLU A 20 23.481 -22.334 -3.207 1.00 0.78 O ATOM 171 CB GLU A 20 22.754 -19.271 -4.041 1.00 1.03 C ATOM 172 CG GLU A 20 21.615 -19.202 -3.032 1.00 1.61 C ATOM 173 CD GLU A 20 21.898 -18.236 -1.898 1.00 1.98 C ATOM 174 OE1 GLU A 20 22.799 -18.526 -1.084 1.00 2.50 O ATOM 175 OE2 GLU A 20 21.223 -17.188 -1.826 1.00 2.49 O ATOM 0 H GLU A 20 25.043 -18.492 -4.525 1.00 0.84 H new ATOM 0 HA GLU A 20 24.007 -19.962 -2.437 1.00 0.84 H new ATOM 0 HB2 GLU A 20 23.038 -18.257 -4.324 1.00 1.03 H new ATOM 0 HB3 GLU A 20 22.397 -19.766 -4.944 1.00 1.03 H new ATOM 0 HG2 GLU A 20 20.700 -18.900 -3.542 1.00 1.61 H new ATOM 0 HG3 GLU A 20 21.437 -20.196 -2.622 1.00 1.61 H new ATOM 182 N SER A 21 24.446 -21.752 -5.153 1.00 0.75 N ATOM 183 CA SER A 21 24.478 -23.108 -5.675 1.00 0.89 C ATOM 184 C SER A 21 25.406 -23.963 -4.822 1.00 0.84 C ATOM 185 O SER A 21 25.069 -25.090 -4.461 1.00 0.91 O ATOM 186 CB SER A 21 24.937 -23.102 -7.139 1.00 1.14 C ATOM 187 OG SER A 21 23.830 -23.199 -8.019 1.00 1.59 O ATOM 0 H SER A 21 24.835 -21.050 -5.782 1.00 0.75 H new ATOM 0 HA SER A 21 23.475 -23.533 -5.635 1.00 0.89 H new ATOM 0 HB2 SER A 21 25.492 -22.187 -7.346 1.00 1.14 H new ATOM 0 HB3 SER A 21 25.619 -23.934 -7.313 1.00 1.14 H new ATOM 0 HG SER A 21 23.650 -22.321 -8.416 1.00 1.59 H new ATOM 193 N TRP A 22 26.566 -23.402 -4.476 1.00 0.91 N ATOM 194 CA TRP A 22 27.537 -24.105 -3.641 1.00 1.05 C ATOM 195 C TRP A 22 26.938 -24.398 -2.274 1.00 0.87 C ATOM 196 O TRP A 22 27.107 -25.487 -1.734 1.00 0.92 O ATOM 197 CB TRP A 22 28.816 -23.279 -3.463 1.00 1.38 C ATOM 198 CG TRP A 22 29.707 -23.832 -2.389 1.00 1.53 C ATOM 199 CD1 TRP A 22 30.638 -24.822 -2.529 1.00 2.19 C ATOM 200 CD2 TRP A 22 29.731 -23.455 -1.003 1.00 1.39 C ATOM 201 NE1 TRP A 22 31.228 -25.089 -1.319 1.00 2.16 N ATOM 202 CE2 TRP A 22 30.695 -24.259 -0.371 1.00 1.65 C ATOM 203 CE3 TRP A 22 29.036 -22.514 -0.237 1.00 1.73 C ATOM 204 CZ2 TRP A 22 30.978 -24.158 0.989 1.00 1.79 C ATOM 205 CZ3 TRP A 22 29.319 -22.414 1.112 1.00 2.24 C ATOM 206 CH2 TRP A 22 30.282 -23.232 1.714 1.00 2.11 C ATOM 0 H TRP A 22 26.854 -22.466 -4.761 1.00 0.91 H new ATOM 0 HA TRP A 22 27.790 -25.040 -4.142 1.00 1.05 H new ATOM 0 HB2 TRP A 22 29.362 -23.251 -4.406 1.00 1.38 H new ATOM 0 HB3 TRP A 22 28.550 -22.251 -3.218 1.00 1.38 H new ATOM 0 HD1 TRP A 22 30.875 -25.322 -3.457 1.00 2.19 H new ATOM 0 HE1 TRP A 22 31.948 -25.793 -1.153 1.00 2.16 H new ATOM 0 HE3 TRP A 22 28.292 -21.877 -0.691 1.00 1.73 H new ATOM 0 HZ2 TRP A 22 31.721 -24.789 1.454 1.00 1.79 H new ATOM 0 HZ3 TRP A 22 28.787 -21.691 1.713 1.00 2.24 H new ATOM 0 HH2 TRP A 22 30.479 -23.129 2.771 1.00 2.11 H new ATOM 217 N ILE A 23 26.258 -23.408 -1.709 1.00 0.80 N ATOM 218 CA ILE A 23 25.644 -23.569 -0.404 1.00 0.90 C ATOM 219 C ILE A 23 24.633 -24.712 -0.429 1.00 0.87 C ATOM 220 O ILE A 23 24.688 -25.608 0.405 1.00 0.95 O ATOM 221 CB ILE A 23 24.982 -22.254 0.095 1.00 1.16 C ATOM 222 CG1 ILE A 23 25.451 -21.937 1.520 1.00 1.34 C ATOM 223 CG2 ILE A 23 23.458 -22.328 0.044 1.00 1.46 C ATOM 224 CD1 ILE A 23 25.350 -20.472 1.882 1.00 1.92 C ATOM 0 H ILE A 23 26.120 -22.491 -2.134 1.00 0.80 H new ATOM 0 HA ILE A 23 26.435 -23.816 0.303 1.00 0.90 H new ATOM 0 HB ILE A 23 25.293 -21.452 -0.575 1.00 1.16 H new ATOM 0 HG12 ILE A 23 24.858 -22.518 2.226 1.00 1.34 H new ATOM 0 HG13 ILE A 23 26.486 -22.259 1.632 1.00 1.34 H new ATOM 0 HG21 ILE A 23 23.036 -21.389 0.401 1.00 1.46 H new ATOM 0 HG22 ILE A 23 23.136 -22.503 -0.983 1.00 1.46 H new ATOM 0 HG23 ILE A 23 23.112 -23.145 0.677 1.00 1.46 H new ATOM 0 HD11 ILE A 23 25.699 -20.325 2.904 1.00 1.92 H new ATOM 0 HD12 ILE A 23 25.966 -19.885 1.200 1.00 1.92 H new ATOM 0 HD13 ILE A 23 24.312 -20.148 1.803 1.00 1.92 H new ATOM 236 N LYS A 24 23.727 -24.690 -1.403 1.00 0.92 N ATOM 237 CA LYS A 24 22.721 -25.740 -1.526 1.00 1.18 C ATOM 238 C LYS A 24 23.373 -27.113 -1.672 1.00 1.21 C ATOM 239 O LYS A 24 22.996 -28.066 -0.988 1.00 1.38 O ATOM 240 CB LYS A 24 21.811 -25.467 -2.727 1.00 1.40 C ATOM 241 CG LYS A 24 20.819 -24.335 -2.501 1.00 2.00 C ATOM 242 CD LYS A 24 19.789 -24.256 -3.620 1.00 2.68 C ATOM 243 CE LYS A 24 20.426 -23.874 -4.949 1.00 3.24 C ATOM 244 NZ LYS A 24 21.064 -22.531 -4.895 1.00 3.58 N ATOM 0 H LYS A 24 23.669 -23.961 -2.114 1.00 0.92 H new ATOM 0 HA LYS A 24 22.123 -25.738 -0.615 1.00 1.18 H new ATOM 0 HB2 LYS A 24 22.429 -25.229 -3.593 1.00 1.40 H new ATOM 0 HB3 LYS A 24 21.261 -26.377 -2.969 1.00 1.40 H new ATOM 0 HG2 LYS A 24 20.310 -24.482 -1.548 1.00 2.00 H new ATOM 0 HG3 LYS A 24 21.356 -23.389 -2.433 1.00 2.00 H new ATOM 0 HD2 LYS A 24 19.287 -25.218 -3.721 1.00 2.68 H new ATOM 0 HD3 LYS A 24 19.025 -23.524 -3.359 1.00 2.68 H new ATOM 0 HE2 LYS A 24 21.173 -24.620 -5.221 1.00 3.24 H new ATOM 0 HE3 LYS A 24 19.667 -23.884 -5.731 1.00 3.24 H new ATOM 0 HZ1 LYS A 24 21.456 -22.295 -5.829 1.00 3.58 H new ATOM 0 HZ2 LYS A 24 20.354 -21.820 -4.628 1.00 3.58 H new ATOM 0 HZ3 LYS A 24 21.829 -22.538 -4.190 1.00 3.58 H new ATOM 258 N GLU A 25 24.354 -27.209 -2.566 1.00 1.18 N ATOM 259 CA GLU A 25 25.055 -28.466 -2.804 1.00 1.40 C ATOM 260 C GLU A 25 25.735 -28.960 -1.533 1.00 1.37 C ATOM 261 O GLU A 25 25.683 -30.147 -1.208 1.00 1.59 O ATOM 262 CB GLU A 25 26.085 -28.290 -3.932 1.00 1.58 C ATOM 263 CG GLU A 25 27.257 -29.266 -3.877 1.00 2.34 C ATOM 264 CD GLU A 25 26.885 -30.667 -4.339 1.00 2.86 C ATOM 265 OE1 GLU A 25 26.105 -30.789 -5.308 1.00 3.26 O ATOM 266 OE2 GLU A 25 27.377 -31.643 -3.736 1.00 3.45 O ATOM 0 H GLU A 25 24.681 -26.430 -3.138 1.00 1.18 H new ATOM 0 HA GLU A 25 24.324 -29.216 -3.107 1.00 1.40 H new ATOM 0 HB2 GLU A 25 25.578 -28.404 -4.890 1.00 1.58 H new ATOM 0 HB3 GLU A 25 26.474 -27.272 -3.896 1.00 1.58 H new ATOM 0 HG2 GLU A 25 28.068 -28.887 -4.499 1.00 2.34 H new ATOM 0 HG3 GLU A 25 27.635 -29.314 -2.856 1.00 2.34 H new ATOM 273 N LYS A 26 26.379 -28.045 -0.826 1.00 1.19 N ATOM 274 CA LYS A 26 27.077 -28.389 0.401 1.00 1.29 C ATOM 275 C LYS A 26 26.088 -28.788 1.491 1.00 1.31 C ATOM 276 O LYS A 26 26.267 -29.811 2.152 1.00 1.49 O ATOM 277 CB LYS A 26 27.958 -27.223 0.847 1.00 1.34 C ATOM 278 CG LYS A 26 29.027 -27.614 1.859 1.00 1.63 C ATOM 279 CD LYS A 26 30.422 -27.589 1.244 1.00 2.01 C ATOM 280 CE LYS A 26 30.612 -28.691 0.210 1.00 2.27 C ATOM 281 NZ LYS A 26 30.783 -28.142 -1.164 1.00 2.77 N ATOM 0 H LYS A 26 26.432 -27.059 -1.081 1.00 1.19 H new ATOM 0 HA LYS A 26 27.720 -29.249 0.212 1.00 1.29 H new ATOM 0 HB2 LYS A 26 28.441 -26.789 -0.028 1.00 1.34 H new ATOM 0 HB3 LYS A 26 27.327 -26.447 1.280 1.00 1.34 H new ATOM 0 HG2 LYS A 26 28.991 -26.931 2.708 1.00 1.63 H new ATOM 0 HG3 LYS A 26 28.817 -28.612 2.243 1.00 1.63 H new ATOM 0 HD2 LYS A 26 30.594 -26.620 0.776 1.00 2.01 H new ATOM 0 HD3 LYS A 26 31.167 -27.699 2.032 1.00 2.01 H new ATOM 0 HE2 LYS A 26 31.485 -29.289 0.473 1.00 2.27 H new ATOM 0 HE3 LYS A 26 29.751 -29.359 0.229 1.00 2.27 H new ATOM 0 HZ1 LYS A 26 30.622 -28.896 -1.862 1.00 2.77 H new ATOM 0 HZ2 LYS A 26 30.098 -27.375 -1.319 1.00 2.77 H new ATOM 0 HZ3 LYS A 26 31.749 -27.771 -1.272 1.00 2.77 H new ATOM 295 N LYS A 27 25.026 -28.001 1.658 1.00 1.25 N ATOM 296 CA LYS A 27 24.006 -28.307 2.651 1.00 1.48 C ATOM 297 C LYS A 27 23.474 -29.717 2.421 1.00 1.65 C ATOM 298 O LYS A 27 23.246 -30.469 3.368 1.00 1.84 O ATOM 299 CB LYS A 27 22.864 -27.291 2.578 1.00 1.61 C ATOM 300 CG LYS A 27 23.263 -25.890 3.021 1.00 2.10 C ATOM 301 CD LYS A 27 22.888 -25.620 4.474 1.00 2.50 C ATOM 302 CE LYS A 27 23.740 -26.429 5.441 1.00 3.05 C ATOM 303 NZ LYS A 27 23.675 -25.884 6.826 1.00 3.62 N ATOM 0 H LYS A 27 24.853 -27.152 1.120 1.00 1.25 H new ATOM 0 HA LYS A 27 24.451 -28.250 3.644 1.00 1.48 H new ATOM 0 HB2 LYS A 27 22.493 -27.247 1.554 1.00 1.61 H new ATOM 0 HB3 LYS A 27 22.040 -27.639 3.201 1.00 1.61 H new ATOM 0 HG2 LYS A 27 24.338 -25.763 2.895 1.00 2.10 H new ATOM 0 HG3 LYS A 27 22.777 -25.155 2.379 1.00 2.10 H new ATOM 0 HD2 LYS A 27 23.006 -24.558 4.688 1.00 2.50 H new ATOM 0 HD3 LYS A 27 21.836 -25.861 4.628 1.00 2.50 H new ATOM 0 HE2 LYS A 27 23.403 -27.466 5.442 1.00 3.05 H new ATOM 0 HE3 LYS A 27 24.775 -26.431 5.099 1.00 3.05 H new ATOM 0 HZ1 LYS A 27 24.639 -25.735 7.186 1.00 3.62 H new ATOM 0 HZ2 LYS A 27 23.164 -24.978 6.819 1.00 3.62 H new ATOM 0 HZ3 LYS A 27 23.176 -26.558 7.441 1.00 3.62 H new ATOM 317 N LEU A 28 23.295 -30.072 1.148 1.00 1.65 N ATOM 318 CA LEU A 28 22.809 -31.396 0.784 1.00 1.92 C ATOM 319 C LEU A 28 23.761 -32.465 1.311 1.00 1.96 C ATOM 320 O LEU A 28 23.334 -33.478 1.861 1.00 2.16 O ATOM 321 CB LEU A 28 22.673 -31.510 -0.736 1.00 2.05 C ATOM 322 CG LEU A 28 21.680 -32.569 -1.224 1.00 2.51 C ATOM 323 CD1 LEU A 28 20.272 -32.243 -0.745 1.00 3.19 C ATOM 324 CD2 LEU A 28 21.721 -32.677 -2.741 1.00 2.78 C ATOM 0 H LEU A 28 23.480 -29.459 0.354 1.00 1.65 H new ATOM 0 HA LEU A 28 21.828 -31.547 1.233 1.00 1.92 H new ATOM 0 HB2 LEU A 28 22.369 -30.541 -1.131 1.00 2.05 H new ATOM 0 HB3 LEU A 28 23.653 -31.733 -1.157 1.00 2.05 H new ATOM 0 HG LEU A 28 21.968 -33.533 -0.804 1.00 2.51 H new ATOM 0 HD11 LEU A 28 19.581 -33.006 -1.102 1.00 3.19 H new ATOM 0 HD12 LEU A 28 20.255 -32.218 0.345 1.00 3.19 H new ATOM 0 HD13 LEU A 28 19.971 -31.271 -1.135 1.00 3.19 H new ATOM 0 HD21 LEU A 28 21.010 -33.434 -3.071 1.00 2.78 H new ATOM 0 HD22 LEU A 28 21.458 -31.715 -3.181 1.00 2.78 H new ATOM 0 HD23 LEU A 28 22.725 -32.959 -3.059 1.00 2.78 H new ATOM 336 N LEU A 29 25.057 -32.224 1.143 1.00 1.84 N ATOM 337 CA LEU A 29 26.073 -33.160 1.608 1.00 2.00 C ATOM 338 C LEU A 29 25.978 -33.335 3.121 1.00 2.03 C ATOM 339 O LEU A 29 26.029 -34.452 3.635 1.00 2.24 O ATOM 340 CB LEU A 29 27.473 -32.666 1.222 1.00 2.00 C ATOM 341 CG LEU A 29 28.172 -33.476 0.124 1.00 2.43 C ATOM 342 CD1 LEU A 29 28.413 -34.909 0.584 1.00 3.02 C ATOM 343 CD2 LEU A 29 27.356 -33.452 -1.161 1.00 3.08 C ATOM 0 H LEU A 29 25.428 -31.389 0.689 1.00 1.84 H new ATOM 0 HA LEU A 29 25.899 -34.124 1.130 1.00 2.00 H new ATOM 0 HB2 LEU A 29 27.397 -31.629 0.894 1.00 2.00 H new ATOM 0 HB3 LEU A 29 28.102 -32.673 2.112 1.00 2.00 H new ATOM 0 HG LEU A 29 29.140 -33.016 -0.078 1.00 2.43 H new ATOM 0 HD11 LEU A 29 28.910 -35.467 -0.210 1.00 3.02 H new ATOM 0 HD12 LEU A 29 29.043 -34.905 1.474 1.00 3.02 H new ATOM 0 HD13 LEU A 29 27.459 -35.382 0.817 1.00 3.02 H new ATOM 0 HD21 LEU A 29 27.868 -34.032 -1.928 1.00 3.08 H new ATOM 0 HD22 LEU A 29 26.373 -33.884 -0.976 1.00 3.08 H new ATOM 0 HD23 LEU A 29 27.242 -32.422 -1.500 1.00 3.08 H new ATOM 355 N VAL A 30 25.827 -32.219 3.828 1.00 1.90 N ATOM 356 CA VAL A 30 25.716 -32.241 5.278 1.00 2.05 C ATOM 357 C VAL A 30 24.546 -33.121 5.715 1.00 2.27 C ATOM 358 O VAL A 30 24.673 -33.919 6.645 1.00 2.48 O ATOM 359 CB VAL A 30 25.546 -30.808 5.842 1.00 2.03 C ATOM 360 CG1 VAL A 30 24.626 -30.794 7.053 1.00 2.26 C ATOM 361 CG2 VAL A 30 26.902 -30.210 6.189 1.00 2.35 C ATOM 0 H VAL A 30 25.779 -31.287 3.416 1.00 1.90 H new ATOM 0 HA VAL A 30 26.639 -32.661 5.678 1.00 2.05 H new ATOM 0 HB VAL A 30 25.082 -30.196 5.069 1.00 2.03 H new ATOM 0 HG11 VAL A 30 24.528 -29.774 7.424 1.00 2.26 H new ATOM 0 HG12 VAL A 30 23.644 -31.172 6.768 1.00 2.26 H new ATOM 0 HG13 VAL A 30 25.045 -31.426 7.836 1.00 2.26 H new ATOM 0 HG21 VAL A 30 26.765 -29.203 6.584 1.00 2.35 H new ATOM 0 HG22 VAL A 30 27.392 -30.831 6.939 1.00 2.35 H new ATOM 0 HG23 VAL A 30 27.521 -30.167 5.293 1.00 2.35 H new ATOM 371 N SER A 31 23.411 -32.978 5.033 1.00 2.30 N ATOM 372 CA SER A 31 22.225 -33.770 5.351 1.00 2.61 C ATOM 373 C SER A 31 22.557 -35.259 5.334 1.00 2.74 C ATOM 374 O SER A 31 22.050 -36.028 6.152 1.00 3.01 O ATOM 375 CB SER A 31 21.087 -33.465 4.369 1.00 2.70 C ATOM 376 OG SER A 31 21.114 -34.343 3.256 1.00 2.71 O ATOM 0 H SER A 31 23.288 -32.324 4.260 1.00 2.30 H new ATOM 0 HA SER A 31 21.894 -33.499 6.353 1.00 2.61 H new ATOM 0 HB2 SER A 31 20.129 -33.554 4.881 1.00 2.70 H new ATOM 0 HB3 SER A 31 21.169 -32.435 4.023 1.00 2.70 H new ATOM 0 HG SER A 31 21.886 -34.131 2.690 1.00 2.71 H new ATOM 382 N SER A 32 23.423 -35.652 4.405 1.00 2.63 N ATOM 383 CA SER A 32 23.843 -37.043 4.287 1.00 2.85 C ATOM 384 C SER A 32 24.794 -37.402 5.421 1.00 2.93 C ATOM 385 O SER A 32 24.639 -38.433 6.075 1.00 3.19 O ATOM 386 CB SER A 32 24.517 -37.285 2.933 1.00 2.84 C ATOM 387 OG SER A 32 23.834 -36.603 1.892 1.00 3.16 O ATOM 0 H SER A 32 23.848 -35.025 3.722 1.00 2.63 H new ATOM 0 HA SER A 32 22.961 -37.680 4.353 1.00 2.85 H new ATOM 0 HB2 SER A 32 25.553 -36.948 2.974 1.00 2.84 H new ATOM 0 HB3 SER A 32 24.537 -38.354 2.719 1.00 2.84 H new ATOM 0 HG SER A 32 24.285 -36.773 1.039 1.00 3.16 H new ATOM 393 N GLU A 33 25.774 -36.530 5.647 1.00 2.79 N ATOM 394 CA GLU A 33 26.763 -36.722 6.704 1.00 2.95 C ATOM 395 C GLU A 33 27.546 -38.018 6.498 1.00 3.13 C ATOM 396 O GLU A 33 27.772 -38.779 7.439 1.00 3.53 O ATOM 397 CB GLU A 33 26.086 -36.715 8.083 1.00 3.57 C ATOM 398 CG GLU A 33 26.730 -35.760 9.080 1.00 3.89 C ATOM 399 CD GLU A 33 28.190 -36.079 9.345 1.00 3.97 C ATOM 400 OE1 GLU A 33 29.034 -35.751 8.484 1.00 4.15 O ATOM 401 OE2 GLU A 33 28.489 -36.658 10.412 1.00 4.37 O ATOM 0 H GLU A 33 25.904 -35.675 5.106 1.00 2.79 H new ATOM 0 HA GLU A 33 27.469 -35.892 6.659 1.00 2.95 H new ATOM 0 HB2 GLU A 33 25.037 -36.445 7.961 1.00 3.57 H new ATOM 0 HB3 GLU A 33 26.109 -37.724 8.494 1.00 3.57 H new ATOM 0 HG2 GLU A 33 26.649 -34.740 8.703 1.00 3.89 H new ATOM 0 HG3 GLU A 33 26.179 -35.798 10.020 1.00 3.89 H new ATOM 408 N ASP A 34 27.962 -38.256 5.256 1.00 3.39 N ATOM 409 CA ASP A 34 28.727 -39.452 4.914 1.00 4.20 C ATOM 410 C ASP A 34 29.873 -39.666 5.902 1.00 4.34 C ATOM 411 O ASP A 34 30.627 -38.739 6.200 1.00 4.57 O ATOM 412 CB ASP A 34 29.276 -39.342 3.487 1.00 4.70 C ATOM 413 CG ASP A 34 30.046 -38.053 3.255 1.00 4.63 C ATOM 414 OD1 ASP A 34 29.442 -36.966 3.379 1.00 4.83 O ATOM 415 OD2 ASP A 34 31.255 -38.131 2.948 1.00 4.85 O ATOM 0 H ASP A 34 27.781 -37.634 4.468 1.00 3.39 H new ATOM 0 HA ASP A 34 28.058 -40.311 4.971 1.00 4.20 H new ATOM 0 HB2 ASP A 34 29.928 -40.192 3.286 1.00 4.70 H new ATOM 0 HB3 ASP A 34 28.450 -39.400 2.778 1.00 4.70 H new ATOM 420 N TYR A 35 29.992 -40.892 6.409 1.00 4.62 N ATOM 421 CA TYR A 35 31.040 -41.230 7.374 1.00 5.01 C ATOM 422 C TYR A 35 32.165 -42.029 6.717 1.00 4.75 C ATOM 423 O TYR A 35 33.323 -41.610 6.737 1.00 5.05 O ATOM 424 CB TYR A 35 30.449 -42.025 8.543 1.00 5.66 C ATOM 425 CG TYR A 35 30.278 -41.199 9.799 1.00 6.44 C ATOM 426 CD1 TYR A 35 31.330 -41.026 10.688 1.00 6.95 C ATOM 427 CD2 TYR A 35 29.070 -40.574 10.083 1.00 6.97 C ATOM 428 CE1 TYR A 35 31.184 -40.256 11.824 1.00 7.93 C ATOM 429 CE2 TYR A 35 28.916 -39.804 11.218 1.00 7.94 C ATOM 430 CZ TYR A 35 29.976 -39.646 12.085 1.00 8.40 C ATOM 431 OH TYR A 35 29.827 -38.873 13.213 1.00 9.52 O ATOM 0 H TYR A 35 29.376 -41.669 6.168 1.00 4.62 H new ATOM 0 HA TYR A 35 31.460 -40.297 7.749 1.00 5.01 H new ATOM 0 HB2 TYR A 35 29.481 -42.429 8.247 1.00 5.66 H new ATOM 0 HB3 TYR A 35 31.096 -42.875 8.760 1.00 5.66 H new ATOM 0 HD1 TYR A 35 32.279 -41.502 10.487 1.00 6.95 H new ATOM 0 HD2 TYR A 35 28.238 -40.693 9.405 1.00 6.97 H new ATOM 0 HE1 TYR A 35 32.013 -40.132 12.505 1.00 7.93 H new ATOM 0 HE2 TYR A 35 27.969 -39.327 11.426 1.00 7.94 H new ATOM 0 HH TYR A 35 28.915 -38.515 13.246 1.00 9.52 H new ATOM 441 N GLY A 36 31.819 -43.180 6.139 1.00 4.65 N ATOM 442 CA GLY A 36 32.816 -44.021 5.495 1.00 4.85 C ATOM 443 C GLY A 36 33.692 -44.731 6.510 1.00 4.72 C ATOM 444 O GLY A 36 34.240 -44.095 7.410 1.00 4.78 O ATOM 0 H GLY A 36 30.867 -43.544 6.106 1.00 4.65 H new ATOM 0 HA2 GLY A 36 32.318 -44.758 4.865 1.00 4.85 H new ATOM 0 HA3 GLY A 36 33.439 -43.411 4.840 1.00 4.85 H new ATOM 448 N ARG A 37 33.822 -46.050 6.382 1.00 4.88 N ATOM 449 CA ARG A 37 34.634 -46.818 7.322 1.00 4.91 C ATOM 450 C ARG A 37 36.121 -46.622 7.076 1.00 4.57 C ATOM 451 O ARG A 37 36.624 -46.862 5.977 1.00 4.62 O ATOM 452 CB ARG A 37 34.315 -48.316 7.255 1.00 5.47 C ATOM 453 CG ARG A 37 34.967 -49.129 8.378 1.00 5.76 C ATOM 454 CD ARG A 37 36.426 -49.480 8.074 1.00 5.57 C ATOM 455 NE ARG A 37 36.578 -50.871 7.648 1.00 6.10 N ATOM 456 CZ ARG A 37 36.684 -51.254 6.375 1.00 6.73 C ATOM 457 NH1 ARG A 37 36.653 -50.347 5.408 1.00 7.03 N ATOM 458 NH2 ARG A 37 36.820 -52.539 6.068 1.00 7.28 N ATOM 0 H ARG A 37 33.382 -46.603 5.647 1.00 4.88 H new ATOM 0 HA ARG A 37 34.384 -46.442 8.314 1.00 4.91 H new ATOM 0 HB2 ARG A 37 33.234 -48.452 7.299 1.00 5.47 H new ATOM 0 HB3 ARG A 37 34.647 -48.708 6.293 1.00 5.47 H new ATOM 0 HG2 ARG A 37 34.919 -48.562 9.308 1.00 5.76 H new ATOM 0 HG3 ARG A 37 34.400 -50.047 8.534 1.00 5.76 H new ATOM 0 HD2 ARG A 37 36.803 -48.819 7.294 1.00 5.57 H new ATOM 0 HD3 ARG A 37 37.034 -49.304 8.962 1.00 5.57 H new ATOM 0 HE ARG A 37 36.605 -51.592 8.369 1.00 6.10 H new ATOM 0 HH11 ARG A 37 36.548 -49.359 5.639 1.00 7.03 H new ATOM 0 HH12 ARG A 37 36.734 -50.637 4.434 1.00 7.03 H new ATOM 0 HH21 ARG A 37 36.844 -53.240 6.808 1.00 7.28 H new ATOM 0 HH22 ARG A 37 36.900 -52.824 5.092 1.00 7.28 H new ATOM 472 N ASP A 38 36.815 -46.229 8.131 1.00 4.69 N ATOM 473 CA ASP A 38 38.257 -46.038 8.100 1.00 4.86 C ATOM 474 C ASP A 38 38.815 -46.402 9.469 1.00 4.66 C ATOM 475 O ASP A 38 39.924 -46.014 9.837 1.00 4.86 O ATOM 476 CB ASP A 38 38.621 -44.597 7.715 1.00 5.43 C ATOM 477 CG ASP A 38 38.423 -43.602 8.843 1.00 5.48 C ATOM 478 OD1 ASP A 38 37.661 -43.908 9.786 1.00 5.96 O ATOM 479 OD2 ASP A 38 39.027 -42.508 8.778 1.00 5.43 O ATOM 0 H ASP A 38 36.392 -46.032 9.038 1.00 4.69 H new ATOM 0 HA ASP A 38 38.697 -46.683 7.340 1.00 4.86 H new ATOM 0 HB2 ASP A 38 39.662 -44.567 7.393 1.00 5.43 H new ATOM 0 HB3 ASP A 38 38.015 -44.293 6.862 1.00 5.43 H new ATOM 484 N LEU A 39 37.998 -47.145 10.221 1.00 4.60 N ATOM 485 CA LEU A 39 38.344 -47.591 11.565 1.00 4.67 C ATOM 486 C LEU A 39 38.607 -46.402 12.497 1.00 4.33 C ATOM 487 O LEU A 39 39.372 -46.502 13.457 1.00 4.41 O ATOM 488 CB LEU A 39 39.544 -48.543 11.499 1.00 4.84 C ATOM 489 CG LEU A 39 39.539 -49.700 12.510 1.00 5.16 C ATOM 490 CD1 LEU A 39 39.720 -49.185 13.931 1.00 5.47 C ATOM 491 CD2 LEU A 39 38.256 -50.514 12.391 1.00 5.40 C ATOM 0 H LEU A 39 37.077 -47.453 9.910 1.00 4.60 H new ATOM 0 HA LEU A 39 37.498 -48.134 11.987 1.00 4.67 H new ATOM 0 HB2 LEU A 39 39.595 -48.964 10.495 1.00 4.84 H new ATOM 0 HB3 LEU A 39 40.454 -47.961 11.647 1.00 4.84 H new ATOM 0 HG LEU A 39 40.381 -50.352 12.279 1.00 5.16 H new ATOM 0 HD11 LEU A 39 39.713 -50.025 14.626 1.00 5.47 H new ATOM 0 HD12 LEU A 39 40.671 -48.658 14.009 1.00 5.47 H new ATOM 0 HD13 LEU A 39 38.906 -48.503 14.177 1.00 5.47 H new ATOM 0 HD21 LEU A 39 38.273 -51.328 13.116 1.00 5.40 H new ATOM 0 HD22 LEU A 39 37.398 -49.871 12.587 1.00 5.40 H new ATOM 0 HD23 LEU A 39 38.178 -50.926 11.385 1.00 5.40 H new ATOM 503 N THR A 40 37.937 -45.286 12.213 1.00 4.12 N ATOM 504 CA THR A 40 38.049 -44.070 13.017 1.00 3.95 C ATOM 505 C THR A 40 37.068 -43.015 12.508 1.00 3.81 C ATOM 506 O THR A 40 37.458 -41.910 12.140 1.00 3.56 O ATOM 507 CB THR A 40 39.488 -43.521 13.020 1.00 3.89 C ATOM 508 OG1 THR A 40 39.590 -42.410 13.893 1.00 4.22 O ATOM 509 CG2 THR A 40 39.997 -43.078 11.659 1.00 3.59 C ATOM 0 H THR A 40 37.302 -45.199 11.420 1.00 4.12 H new ATOM 0 HA THR A 40 37.797 -44.322 14.047 1.00 3.95 H new ATOM 0 HB THR A 40 40.102 -44.359 13.348 1.00 3.89 H new ATOM 0 HG1 THR A 40 40.533 -42.242 14.099 1.00 4.22 H new ATOM 0 HG21 THR A 40 41.017 -42.706 11.755 1.00 3.59 H new ATOM 0 HG22 THR A 40 39.983 -43.924 10.972 1.00 3.59 H new ATOM 0 HG23 THR A 40 39.357 -42.285 11.272 1.00 3.59 H new ATOM 517 N GLY A 41 35.784 -43.370 12.498 1.00 4.04 N ATOM 518 CA GLY A 41 34.753 -42.458 12.025 1.00 4.02 C ATOM 519 C GLY A 41 35.003 -41.012 12.409 1.00 3.78 C ATOM 520 O GLY A 41 34.827 -40.112 11.589 1.00 3.57 O ATOM 0 H GLY A 41 35.438 -44.277 12.811 1.00 4.04 H new ATOM 0 HA2 GLY A 41 34.684 -42.531 10.940 1.00 4.02 H new ATOM 0 HA3 GLY A 41 33.789 -42.771 12.427 1.00 4.02 H new ATOM 524 N VAL A 42 35.428 -40.783 13.645 1.00 3.86 N ATOM 525 CA VAL A 42 35.707 -39.429 14.114 1.00 3.76 C ATOM 526 C VAL A 42 36.751 -38.743 13.230 1.00 3.39 C ATOM 527 O VAL A 42 36.473 -37.712 12.615 1.00 3.25 O ATOM 528 CB VAL A 42 36.185 -39.417 15.585 1.00 3.99 C ATOM 529 CG1 VAL A 42 35.000 -39.253 16.526 1.00 4.39 C ATOM 530 CG2 VAL A 42 36.967 -40.682 15.921 1.00 4.39 C ATOM 0 H VAL A 42 35.587 -41.513 14.339 1.00 3.86 H new ATOM 0 HA VAL A 42 34.769 -38.876 14.053 1.00 3.76 H new ATOM 0 HB VAL A 42 36.855 -38.567 15.716 1.00 3.99 H new ATOM 0 HG11 VAL A 42 35.353 -39.246 17.557 1.00 4.39 H new ATOM 0 HG12 VAL A 42 34.491 -38.313 16.310 1.00 4.39 H new ATOM 0 HG13 VAL A 42 34.306 -40.082 16.385 1.00 4.39 H new ATOM 0 HG21 VAL A 42 37.290 -40.645 16.961 1.00 4.39 H new ATOM 0 HG22 VAL A 42 36.331 -41.554 15.770 1.00 4.39 H new ATOM 0 HG23 VAL A 42 37.840 -40.753 15.273 1.00 4.39 H new ATOM 540 N GLN A 43 37.946 -39.325 13.153 1.00 3.28 N ATOM 541 CA GLN A 43 39.013 -38.765 12.332 1.00 3.01 C ATOM 542 C GLN A 43 38.565 -38.657 10.880 1.00 2.82 C ATOM 543 O GLN A 43 38.954 -37.732 10.164 1.00 2.61 O ATOM 544 CB GLN A 43 40.275 -39.630 12.430 1.00 3.07 C ATOM 545 CG GLN A 43 41.569 -38.829 12.496 1.00 3.47 C ATOM 546 CD GLN A 43 41.674 -37.783 11.402 1.00 3.77 C ATOM 547 OE1 GLN A 43 42.133 -38.070 10.296 1.00 4.06 O ATOM 548 NE2 GLN A 43 41.248 -36.562 11.704 1.00 4.24 N ATOM 0 H GLN A 43 38.198 -40.181 13.648 1.00 3.28 H new ATOM 0 HA GLN A 43 39.244 -37.766 12.703 1.00 3.01 H new ATOM 0 HB2 GLN A 43 40.204 -40.260 13.317 1.00 3.07 H new ATOM 0 HB3 GLN A 43 40.315 -40.296 11.568 1.00 3.07 H new ATOM 0 HG2 GLN A 43 41.638 -38.339 13.467 1.00 3.47 H new ATOM 0 HG3 GLN A 43 42.416 -39.511 12.422 1.00 3.47 H new ATOM 0 HE21 GLN A 43 40.875 -36.367 12.633 1.00 4.24 H new ATOM 0 HE22 GLN A 43 41.294 -35.819 11.007 1.00 4.24 H new ATOM 557 N ASN A 44 37.741 -39.610 10.453 1.00 2.97 N ATOM 558 CA ASN A 44 37.227 -39.625 9.089 1.00 2.93 C ATOM 559 C ASN A 44 36.403 -38.376 8.818 1.00 2.82 C ATOM 560 O ASN A 44 36.582 -37.708 7.799 1.00 2.66 O ATOM 561 CB ASN A 44 36.371 -40.870 8.846 1.00 3.26 C ATOM 562 CG ASN A 44 36.343 -41.277 7.385 1.00 3.37 C ATOM 563 OD1 ASN A 44 36.327 -42.579 7.133 1.00 3.42 O flip ATOM 564 ND2 ASN A 44 36.333 -40.430 6.491 1.00 3.83 N flip ATOM 0 H ASN A 44 37.415 -40.383 11.034 1.00 2.97 H new ATOM 0 HA ASN A 44 38.078 -39.646 8.408 1.00 2.93 H new ATOM 0 HB2 ASN A 44 36.758 -41.696 9.443 1.00 3.26 H new ATOM 0 HB3 ASN A 44 35.353 -40.680 9.187 1.00 3.26 H new ATOM 0 HD21 ASN A 44 36.346 -39.438 6.728 1.00 3.83 H new ATOM 0 HD22 ASN A 44 36.312 -40.720 5.513 1.00 3.83 H new ATOM 571 N LEU A 45 35.498 -38.063 9.738 1.00 3.00 N ATOM 572 CA LEU A 45 34.655 -36.890 9.592 1.00 3.01 C ATOM 573 C LEU A 45 35.511 -35.634 9.556 1.00 2.73 C ATOM 574 O LEU A 45 35.338 -34.780 8.686 1.00 2.57 O ATOM 575 CB LEU A 45 33.633 -36.809 10.728 1.00 3.36 C ATOM 576 CG LEU A 45 32.296 -36.169 10.343 1.00 3.84 C ATOM 577 CD1 LEU A 45 32.492 -34.706 9.968 1.00 4.23 C ATOM 578 CD2 LEU A 45 31.650 -36.932 9.195 1.00 4.27 C ATOM 0 H LEU A 45 35.332 -38.604 10.587 1.00 3.00 H new ATOM 0 HA LEU A 45 34.109 -36.972 8.652 1.00 3.01 H new ATOM 0 HB2 LEU A 45 33.444 -37.816 11.101 1.00 3.36 H new ATOM 0 HB3 LEU A 45 34.068 -36.241 11.550 1.00 3.36 H new ATOM 0 HG LEU A 45 31.631 -36.217 11.205 1.00 3.84 H new ATOM 0 HD11 LEU A 45 31.531 -34.268 9.697 1.00 4.23 H new ATOM 0 HD12 LEU A 45 32.911 -34.166 10.817 1.00 4.23 H new ATOM 0 HD13 LEU A 45 33.174 -34.636 9.121 1.00 4.23 H new ATOM 0 HD21 LEU A 45 30.701 -36.463 8.935 1.00 4.27 H new ATOM 0 HD22 LEU A 45 32.312 -36.916 8.329 1.00 4.27 H new ATOM 0 HD23 LEU A 45 31.474 -37.964 9.498 1.00 4.27 H new ATOM 590 N ARG A 46 36.449 -35.529 10.494 1.00 2.73 N ATOM 591 CA ARG A 46 37.336 -34.375 10.544 1.00 2.59 C ATOM 592 C ARG A 46 38.002 -34.159 9.188 1.00 2.28 C ATOM 593 O ARG A 46 38.094 -33.032 8.708 1.00 2.17 O ATOM 594 CB ARG A 46 38.402 -34.551 11.625 1.00 2.76 C ATOM 595 CG ARG A 46 39.347 -33.360 11.738 1.00 2.97 C ATOM 596 CD ARG A 46 38.927 -32.400 12.841 1.00 3.51 C ATOM 597 NE ARG A 46 38.543 -31.091 12.314 1.00 4.06 N ATOM 598 CZ ARG A 46 38.253 -30.042 13.081 1.00 4.80 C ATOM 599 NH1 ARG A 46 38.296 -30.150 14.402 1.00 5.15 N ATOM 600 NH2 ARG A 46 37.914 -28.885 12.527 1.00 5.49 N ATOM 0 H ARG A 46 36.612 -36.224 11.223 1.00 2.73 H new ATOM 0 HA ARG A 46 36.736 -33.499 10.791 1.00 2.59 H new ATOM 0 HB2 ARG A 46 37.913 -34.710 12.586 1.00 2.76 H new ATOM 0 HB3 ARG A 46 38.983 -35.448 11.410 1.00 2.76 H new ATOM 0 HG2 ARG A 46 40.358 -33.717 11.934 1.00 2.97 H new ATOM 0 HG3 ARG A 46 39.376 -32.829 10.787 1.00 2.97 H new ATOM 0 HD2 ARG A 46 38.090 -32.827 13.394 1.00 3.51 H new ATOM 0 HD3 ARG A 46 39.748 -32.279 13.548 1.00 3.51 H new ATOM 0 HE ARG A 46 38.495 -30.975 11.302 1.00 4.06 H new ATOM 0 HH11 ARG A 46 38.552 -31.038 14.833 1.00 5.15 H new ATOM 0 HH12 ARG A 46 38.073 -29.345 14.987 1.00 5.15 H new ATOM 0 HH21 ARG A 46 37.875 -28.798 11.511 1.00 5.49 H new ATOM 0 HH22 ARG A 46 37.692 -28.083 13.117 1.00 5.49 H new ATOM 614 N LYS A 47 38.460 -35.248 8.570 1.00 2.24 N ATOM 615 CA LYS A 47 39.108 -35.169 7.262 1.00 2.12 C ATOM 616 C LYS A 47 38.211 -34.428 6.275 1.00 2.02 C ATOM 617 O LYS A 47 38.637 -33.475 5.624 1.00 1.89 O ATOM 618 CB LYS A 47 39.421 -36.574 6.731 1.00 2.32 C ATOM 619 CG LYS A 47 40.647 -37.219 7.361 1.00 2.70 C ATOM 620 CD LYS A 47 40.935 -38.583 6.746 1.00 3.12 C ATOM 621 CE LYS A 47 41.510 -39.557 7.764 1.00 3.66 C ATOM 622 NZ LYS A 47 40.571 -39.802 8.893 1.00 4.30 N ATOM 0 H LYS A 47 38.394 -36.191 8.953 1.00 2.24 H new ATOM 0 HA LYS A 47 40.044 -34.621 7.373 1.00 2.12 H new ATOM 0 HB2 LYS A 47 38.557 -37.216 6.903 1.00 2.32 H new ATOM 0 HB3 LYS A 47 39.567 -36.519 5.652 1.00 2.32 H new ATOM 0 HG2 LYS A 47 41.511 -36.568 7.228 1.00 2.70 H new ATOM 0 HG3 LYS A 47 40.492 -37.328 8.434 1.00 2.70 H new ATOM 0 HD2 LYS A 47 40.016 -38.994 6.330 1.00 3.12 H new ATOM 0 HD3 LYS A 47 41.636 -38.467 5.919 1.00 3.12 H new ATOM 0 HE2 LYS A 47 41.740 -40.502 7.272 1.00 3.66 H new ATOM 0 HE3 LYS A 47 42.449 -39.163 8.152 1.00 3.66 H new ATOM 0 HZ1 LYS A 47 41.060 -39.629 9.795 1.00 4.30 H new ATOM 0 HZ2 LYS A 47 39.756 -39.161 8.812 1.00 4.30 H new ATOM 0 HZ3 LYS A 47 40.241 -40.788 8.862 1.00 4.30 H new ATOM 636 N LYS A 48 36.961 -34.871 6.185 1.00 2.17 N ATOM 637 CA LYS A 48 35.987 -34.251 5.291 1.00 2.20 C ATOM 638 C LYS A 48 35.788 -32.784 5.657 1.00 2.02 C ATOM 639 O LYS A 48 35.847 -31.902 4.799 1.00 1.90 O ATOM 640 CB LYS A 48 34.657 -35.007 5.368 1.00 2.54 C ATOM 641 CG LYS A 48 33.635 -34.578 4.325 1.00 3.02 C ATOM 642 CD LYS A 48 32.372 -35.426 4.404 1.00 3.19 C ATOM 643 CE LYS A 48 31.425 -34.931 5.487 1.00 3.73 C ATOM 644 NZ LYS A 48 30.375 -35.935 5.812 1.00 4.17 N ATOM 0 H LYS A 48 36.597 -35.659 6.721 1.00 2.17 H new ATOM 0 HA LYS A 48 36.363 -34.301 4.269 1.00 2.20 H new ATOM 0 HB2 LYS A 48 34.851 -36.073 5.253 1.00 2.54 H new ATOM 0 HB3 LYS A 48 34.228 -34.866 6.360 1.00 2.54 H new ATOM 0 HG2 LYS A 48 33.380 -33.528 4.473 1.00 3.02 H new ATOM 0 HG3 LYS A 48 34.071 -34.663 3.330 1.00 3.02 H new ATOM 0 HD2 LYS A 48 31.862 -35.410 3.441 1.00 3.19 H new ATOM 0 HD3 LYS A 48 32.642 -36.463 4.604 1.00 3.19 H new ATOM 0 HE2 LYS A 48 31.994 -34.697 6.387 1.00 3.73 H new ATOM 0 HE3 LYS A 48 30.952 -34.005 5.160 1.00 3.73 H new ATOM 0 HZ1 LYS A 48 29.772 -35.571 6.578 1.00 4.17 H new ATOM 0 HZ2 LYS A 48 29.793 -36.114 4.969 1.00 4.17 H new ATOM 0 HZ3 LYS A 48 30.825 -36.822 6.117 1.00 4.17 H new ATOM 658 N HIS A 49 35.562 -32.532 6.941 1.00 2.10 N ATOM 659 CA HIS A 49 35.362 -31.174 7.432 1.00 2.10 C ATOM 660 C HIS A 49 36.545 -30.285 7.057 1.00 1.82 C ATOM 661 O HIS A 49 36.369 -29.120 6.713 1.00 1.72 O ATOM 662 CB HIS A 49 35.155 -31.181 8.949 1.00 2.37 C ATOM 663 CG HIS A 49 33.836 -30.607 9.361 1.00 2.66 C ATOM 664 ND1 HIS A 49 33.634 -29.277 9.647 1.00 2.97 N ATOM 665 CD2 HIS A 49 32.628 -31.209 9.506 1.00 3.22 C ATOM 666 CE1 HIS A 49 32.338 -29.113 9.948 1.00 3.47 C ATOM 667 NE2 HIS A 49 31.684 -30.256 9.877 1.00 3.60 N ATOM 0 H HIS A 49 35.513 -33.252 7.662 1.00 2.10 H new ATOM 0 HA HIS A 49 34.467 -30.767 6.962 1.00 2.10 H new ATOM 0 HB2 HIS A 49 35.230 -32.205 9.316 1.00 2.37 H new ATOM 0 HB3 HIS A 49 35.956 -30.613 9.422 1.00 2.37 H new ATOM 0 HD1 HIS A 49 34.344 -28.545 9.633 1.00 2.97 H new ATOM 0 HD2 HIS A 49 32.431 -32.260 9.357 1.00 3.22 H new ATOM 0 HE1 HIS A 49 31.888 -28.168 10.214 1.00 3.47 H new ATOM 675 N LYS A 50 37.751 -30.849 7.119 1.00 1.76 N ATOM 676 CA LYS A 50 38.961 -30.120 6.778 1.00 1.67 C ATOM 677 C LYS A 50 38.826 -29.461 5.412 1.00 1.49 C ATOM 678 O LYS A 50 39.149 -28.284 5.245 1.00 1.46 O ATOM 679 CB LYS A 50 40.156 -31.073 6.791 1.00 1.79 C ATOM 680 CG LYS A 50 41.497 -30.378 6.933 1.00 2.13 C ATOM 681 CD LYS A 50 41.635 -29.670 8.275 1.00 2.64 C ATOM 682 CE LYS A 50 41.917 -28.185 8.103 1.00 3.07 C ATOM 683 NZ LYS A 50 40.740 -27.451 7.565 1.00 3.17 N ATOM 0 H LYS A 50 37.911 -31.815 7.405 1.00 1.76 H new ATOM 0 HA LYS A 50 39.119 -29.336 7.519 1.00 1.67 H new ATOM 0 HB2 LYS A 50 40.036 -31.779 7.612 1.00 1.79 H new ATOM 0 HB3 LYS A 50 40.155 -31.654 5.868 1.00 1.79 H new ATOM 0 HG2 LYS A 50 42.298 -31.110 6.825 1.00 2.13 H new ATOM 0 HG3 LYS A 50 41.617 -29.654 6.127 1.00 2.13 H new ATOM 0 HD2 LYS A 50 40.719 -29.802 8.852 1.00 2.64 H new ATOM 0 HD3 LYS A 50 42.441 -30.129 8.847 1.00 2.64 H new ATOM 0 HE2 LYS A 50 42.203 -27.757 9.064 1.00 3.07 H new ATOM 0 HE3 LYS A 50 42.765 -28.053 7.431 1.00 3.07 H new ATOM 0 HZ1 LYS A 50 40.976 -26.443 7.464 1.00 3.17 H new ATOM 0 HZ2 LYS A 50 40.482 -27.841 6.636 1.00 3.17 H new ATOM 0 HZ3 LYS A 50 39.938 -27.555 8.219 1.00 3.17 H new ATOM 697 N ARG A 51 38.331 -30.223 4.440 1.00 1.50 N ATOM 698 CA ARG A 51 38.138 -29.701 3.091 1.00 1.50 C ATOM 699 C ARG A 51 37.124 -28.566 3.121 1.00 1.38 C ATOM 700 O ARG A 51 37.313 -27.524 2.492 1.00 1.27 O ATOM 701 CB ARG A 51 37.670 -30.819 2.149 1.00 1.77 C ATOM 702 CG ARG A 51 37.339 -30.346 0.740 1.00 2.17 C ATOM 703 CD ARG A 51 38.552 -29.747 0.041 1.00 2.52 C ATOM 704 NE ARG A 51 38.357 -28.331 -0.260 1.00 2.87 N ATOM 705 CZ ARG A 51 39.341 -27.440 -0.324 1.00 3.47 C ATOM 706 NH1 ARG A 51 40.597 -27.816 -0.127 1.00 4.13 N ATOM 707 NH2 ARG A 51 39.068 -26.170 -0.591 1.00 3.79 N ATOM 0 H ARG A 51 38.058 -31.198 4.560 1.00 1.50 H new ATOM 0 HA ARG A 51 39.087 -29.316 2.717 1.00 1.50 H new ATOM 0 HB2 ARG A 51 38.448 -31.581 2.092 1.00 1.77 H new ATOM 0 HB3 ARG A 51 36.788 -31.295 2.578 1.00 1.77 H new ATOM 0 HG2 ARG A 51 36.961 -31.185 0.155 1.00 2.17 H new ATOM 0 HG3 ARG A 51 36.542 -29.603 0.784 1.00 2.17 H new ATOM 0 HD2 ARG A 51 39.432 -29.867 0.673 1.00 2.52 H new ATOM 0 HD3 ARG A 51 38.746 -30.292 -0.883 1.00 2.52 H new ATOM 0 HE ARG A 51 37.406 -28.006 -0.432 1.00 2.87 H new ATOM 0 HH11 ARG A 51 40.811 -28.793 0.075 1.00 4.13 H new ATOM 0 HH12 ARG A 51 41.349 -27.129 -0.177 1.00 4.13 H new ATOM 0 HH21 ARG A 51 38.103 -25.878 -0.747 1.00 3.79 H new ATOM 0 HH22 ARG A 51 39.823 -25.486 -0.640 1.00 3.79 H new ATOM 721 N LEU A 52 36.053 -28.773 3.879 1.00 1.51 N ATOM 722 CA LEU A 52 35.006 -27.770 4.022 1.00 1.55 C ATOM 723 C LEU A 52 35.598 -26.454 4.519 1.00 1.33 C ATOM 724 O LEU A 52 35.392 -25.402 3.918 1.00 1.22 O ATOM 725 CB LEU A 52 33.933 -28.267 4.995 1.00 1.88 C ATOM 726 CG LEU A 52 32.494 -27.880 4.640 1.00 2.21 C ATOM 727 CD1 LEU A 52 31.535 -28.335 5.732 1.00 2.58 C ATOM 728 CD2 LEU A 52 32.379 -26.379 4.415 1.00 2.90 C ATOM 0 H LEU A 52 35.887 -29.631 4.406 1.00 1.51 H new ATOM 0 HA LEU A 52 34.548 -27.600 3.048 1.00 1.55 H new ATOM 0 HB2 LEU A 52 33.995 -29.354 5.054 1.00 1.88 H new ATOM 0 HB3 LEU A 52 34.161 -27.881 5.989 1.00 1.88 H new ATOM 0 HG LEU A 52 32.223 -28.384 3.712 1.00 2.21 H new ATOM 0 HD11 LEU A 52 30.517 -28.052 5.464 1.00 2.58 H new ATOM 0 HD12 LEU A 52 31.594 -29.418 5.840 1.00 2.58 H new ATOM 0 HD13 LEU A 52 31.807 -27.861 6.675 1.00 2.58 H new ATOM 0 HD21 LEU A 52 31.349 -26.127 4.164 1.00 2.90 H new ATOM 0 HD22 LEU A 52 32.671 -25.852 5.323 1.00 2.90 H new ATOM 0 HD23 LEU A 52 33.035 -26.082 3.596 1.00 2.90 H new ATOM 740 N GLU A 53 36.352 -26.529 5.613 1.00 1.38 N ATOM 741 CA GLU A 53 36.987 -25.348 6.188 1.00 1.39 C ATOM 742 C GLU A 53 37.754 -24.575 5.117 1.00 1.16 C ATOM 743 O GLU A 53 37.568 -23.368 4.960 1.00 1.13 O ATOM 744 CB GLU A 53 37.925 -25.754 7.330 1.00 1.66 C ATOM 745 CG GLU A 53 37.227 -25.881 8.680 1.00 2.20 C ATOM 746 CD GLU A 53 37.265 -27.293 9.236 1.00 2.62 C ATOM 747 OE1 GLU A 53 38.368 -27.872 9.317 1.00 3.17 O ATOM 748 OE2 GLU A 53 36.190 -27.820 9.594 1.00 3.08 O ATOM 0 H GLU A 53 36.538 -27.395 6.118 1.00 1.38 H new ATOM 0 HA GLU A 53 36.210 -24.697 6.589 1.00 1.39 H new ATOM 0 HB2 GLU A 53 38.394 -26.706 7.082 1.00 1.66 H new ATOM 0 HB3 GLU A 53 38.724 -25.017 7.412 1.00 1.66 H new ATOM 0 HG2 GLU A 53 37.698 -25.203 9.392 1.00 2.20 H new ATOM 0 HG3 GLU A 53 36.189 -25.564 8.578 1.00 2.20 H new ATOM 755 N ALA A 54 38.606 -25.280 4.372 1.00 1.13 N ATOM 756 CA ALA A 54 39.383 -24.652 3.305 1.00 1.16 C ATOM 757 C ALA A 54 38.463 -23.889 2.358 1.00 0.99 C ATOM 758 O ALA A 54 38.712 -22.727 2.030 1.00 1.03 O ATOM 759 CB ALA A 54 40.189 -25.694 2.546 1.00 1.35 C ATOM 0 H ALA A 54 38.774 -26.279 4.487 1.00 1.13 H new ATOM 0 HA ALA A 54 40.079 -23.944 3.754 1.00 1.16 H new ATOM 0 HB1 ALA A 54 40.761 -25.207 1.756 1.00 1.35 H new ATOM 0 HB2 ALA A 54 40.872 -26.196 3.231 1.00 1.35 H new ATOM 0 HB3 ALA A 54 39.513 -26.427 2.106 1.00 1.35 H new ATOM 765 N GLU A 55 37.390 -24.548 1.938 1.00 0.99 N ATOM 766 CA GLU A 55 36.411 -23.936 1.048 1.00 1.06 C ATOM 767 C GLU A 55 35.865 -22.653 1.673 1.00 0.88 C ATOM 768 O GLU A 55 35.873 -21.590 1.051 1.00 0.90 O ATOM 769 CB GLU A 55 35.268 -24.922 0.777 1.00 1.35 C ATOM 770 CG GLU A 55 35.096 -25.285 -0.690 1.00 1.84 C ATOM 771 CD GLU A 55 34.712 -26.736 -0.887 1.00 1.93 C ATOM 772 OE1 GLU A 55 35.606 -27.601 -0.798 1.00 2.20 O ATOM 773 OE2 GLU A 55 33.517 -27.007 -1.126 1.00 2.60 O ATOM 0 H GLU A 55 37.175 -25.510 2.201 1.00 0.99 H new ATOM 0 HA GLU A 55 36.894 -23.686 0.103 1.00 1.06 H new ATOM 0 HB2 GLU A 55 35.446 -25.834 1.347 1.00 1.35 H new ATOM 0 HB3 GLU A 55 34.337 -24.492 1.146 1.00 1.35 H new ATOM 0 HG2 GLU A 55 34.331 -24.647 -1.132 1.00 1.84 H new ATOM 0 HG3 GLU A 55 36.025 -25.083 -1.222 1.00 1.84 H new ATOM 780 N LEU A 56 35.400 -22.772 2.912 1.00 0.90 N ATOM 781 CA LEU A 56 34.845 -21.645 3.657 1.00 0.98 C ATOM 782 C LEU A 56 35.764 -20.424 3.612 1.00 0.91 C ATOM 783 O LEU A 56 35.293 -19.289 3.534 1.00 0.99 O ATOM 784 CB LEU A 56 34.595 -22.061 5.110 1.00 1.26 C ATOM 785 CG LEU A 56 33.252 -21.620 5.703 1.00 2.02 C ATOM 786 CD1 LEU A 56 32.106 -22.392 5.064 1.00 2.67 C ATOM 787 CD2 LEU A 56 33.247 -21.810 7.213 1.00 2.55 C ATOM 0 H LEU A 56 35.397 -23.651 3.429 1.00 0.90 H new ATOM 0 HA LEU A 56 33.903 -21.363 3.186 1.00 0.98 H new ATOM 0 HB2 LEU A 56 34.661 -23.147 5.175 1.00 1.26 H new ATOM 0 HB3 LEU A 56 35.396 -21.655 5.728 1.00 1.26 H new ATOM 0 HG LEU A 56 33.114 -20.560 5.489 1.00 2.02 H new ATOM 0 HD11 LEU A 56 31.161 -22.065 5.498 1.00 2.67 H new ATOM 0 HD12 LEU A 56 32.096 -22.206 3.990 1.00 2.67 H new ATOM 0 HD13 LEU A 56 32.239 -23.458 5.246 1.00 2.67 H new ATOM 0 HD21 LEU A 56 32.286 -21.492 7.617 1.00 2.55 H new ATOM 0 HD22 LEU A 56 33.409 -22.862 7.448 1.00 2.55 H new ATOM 0 HD23 LEU A 56 34.043 -21.213 7.658 1.00 2.55 H new ATOM 799 N ALA A 57 37.069 -20.663 3.673 1.00 0.92 N ATOM 800 CA ALA A 57 38.045 -19.580 3.647 1.00 1.14 C ATOM 801 C ALA A 57 37.911 -18.737 2.380 1.00 1.08 C ATOM 802 O ALA A 57 37.797 -17.517 2.447 1.00 1.22 O ATOM 803 CB ALA A 57 39.452 -20.142 3.764 1.00 1.37 C ATOM 0 H ALA A 57 37.475 -21.596 3.741 1.00 0.92 H new ATOM 0 HA ALA A 57 37.849 -18.929 4.499 1.00 1.14 H new ATOM 0 HB1 ALA A 57 40.173 -19.325 3.744 1.00 1.37 H new ATOM 0 HB2 ALA A 57 39.549 -20.688 4.702 1.00 1.37 H new ATOM 0 HB3 ALA A 57 39.645 -20.817 2.930 1.00 1.37 H new ATOM 809 N ALA A 58 37.940 -19.398 1.228 1.00 1.03 N ATOM 810 CA ALA A 58 37.833 -18.714 -0.061 1.00 1.19 C ATOM 811 C ALA A 58 36.472 -18.059 -0.245 1.00 1.03 C ATOM 812 O ALA A 58 36.372 -16.975 -0.824 1.00 1.17 O ATOM 813 CB ALA A 58 38.101 -19.695 -1.193 1.00 1.43 C ATOM 0 H ALA A 58 38.037 -20.411 1.158 1.00 1.03 H new ATOM 0 HA ALA A 58 38.582 -17.922 -0.080 1.00 1.19 H new ATOM 0 HB1 ALA A 58 38.019 -19.178 -2.149 1.00 1.43 H new ATOM 0 HB2 ALA A 58 39.105 -20.107 -1.088 1.00 1.43 H new ATOM 0 HB3 ALA A 58 37.371 -20.504 -1.154 1.00 1.43 H new ATOM 819 N HIS A 59 35.422 -18.711 0.237 1.00 0.87 N ATOM 820 CA HIS A 59 34.087 -18.168 0.100 1.00 0.90 C ATOM 821 C HIS A 59 33.949 -16.858 0.855 1.00 0.80 C ATOM 822 O HIS A 59 33.377 -15.916 0.332 1.00 0.89 O ATOM 823 CB HIS A 59 33.042 -19.163 0.600 1.00 1.13 C ATOM 824 CG HIS A 59 33.237 -20.547 0.075 1.00 1.46 C ATOM 825 ND1 HIS A 59 33.809 -20.836 -1.143 1.00 2.16 N ATOM 826 CD2 HIS A 59 32.931 -21.739 0.638 1.00 1.68 C ATOM 827 CE1 HIS A 59 33.833 -22.167 -1.279 1.00 2.61 C ATOM 828 NE2 HIS A 59 33.312 -22.762 -0.224 1.00 2.36 N ATOM 0 H HIS A 59 35.472 -19.607 0.721 1.00 0.87 H new ATOM 0 HA HIS A 59 33.918 -17.979 -0.960 1.00 0.90 H new ATOM 0 HB2 HIS A 59 33.069 -19.189 1.689 1.00 1.13 H new ATOM 0 HB3 HIS A 59 32.051 -18.811 0.314 1.00 1.13 H new ATOM 0 HD1 HIS A 59 34.153 -20.157 -1.821 1.00 2.16 H new ATOM 0 HD2 HIS A 59 32.465 -21.874 1.603 1.00 1.68 H new ATOM 0 HE1 HIS A 59 34.227 -22.686 -2.140 1.00 2.61 H new ATOM 836 N GLU A 60 34.450 -16.809 2.094 1.00 0.87 N ATOM 837 CA GLU A 60 34.332 -15.596 2.909 1.00 1.09 C ATOM 838 C GLU A 60 34.525 -14.348 2.047 1.00 1.11 C ATOM 839 O GLU A 60 33.601 -13.551 1.891 1.00 1.12 O ATOM 840 CB GLU A 60 35.349 -15.614 4.060 1.00 1.39 C ATOM 841 CG GLU A 60 34.746 -15.949 5.417 1.00 1.92 C ATOM 842 CD GLU A 60 35.289 -17.243 5.999 1.00 2.39 C ATOM 843 OE1 GLU A 60 34.758 -18.318 5.652 1.00 2.70 O ATOM 844 OE2 GLU A 60 36.242 -17.180 6.804 1.00 3.01 O ATOM 0 H GLU A 60 34.934 -17.583 2.549 1.00 0.87 H new ATOM 0 HA GLU A 60 33.330 -15.570 3.336 1.00 1.09 H new ATOM 0 HB2 GLU A 60 36.128 -16.341 3.831 1.00 1.39 H new ATOM 0 HB3 GLU A 60 35.831 -14.638 4.120 1.00 1.39 H new ATOM 0 HG2 GLU A 60 34.946 -15.132 6.110 1.00 1.92 H new ATOM 0 HG3 GLU A 60 33.663 -16.026 5.319 1.00 1.92 H new ATOM 851 N PRO A 61 35.726 -14.159 1.472 1.00 1.23 N ATOM 852 CA PRO A 61 36.013 -13.011 0.614 1.00 1.42 C ATOM 853 C PRO A 61 34.896 -12.738 -0.394 1.00 1.32 C ATOM 854 O PRO A 61 34.497 -11.592 -0.602 1.00 1.44 O ATOM 855 CB PRO A 61 37.288 -13.454 -0.112 1.00 1.60 C ATOM 856 CG PRO A 61 37.991 -14.310 0.875 1.00 1.59 C ATOM 857 CD PRO A 61 36.909 -15.031 1.632 1.00 1.29 C ATOM 0 HA PRO A 61 36.111 -12.084 1.179 1.00 1.42 H new ATOM 0 HB2 PRO A 61 37.056 -14.005 -1.023 1.00 1.60 H new ATOM 0 HB3 PRO A 61 37.898 -12.599 -0.403 1.00 1.60 H new ATOM 0 HG2 PRO A 61 38.657 -15.015 0.378 1.00 1.59 H new ATOM 0 HG3 PRO A 61 38.605 -13.710 1.546 1.00 1.59 H new ATOM 0 HD2 PRO A 61 36.731 -16.026 1.224 1.00 1.29 H new ATOM 0 HD3 PRO A 61 37.173 -15.159 2.682 1.00 1.29 H new ATOM 865 N ALA A 62 34.411 -13.802 -1.029 1.00 1.18 N ATOM 866 CA ALA A 62 33.355 -13.686 -2.037 1.00 1.22 C ATOM 867 C ALA A 62 31.964 -13.564 -1.417 1.00 1.00 C ATOM 868 O ALA A 62 31.023 -13.122 -2.077 1.00 1.06 O ATOM 869 CB ALA A 62 33.401 -14.879 -2.980 1.00 1.31 C ATOM 0 H ALA A 62 34.731 -14.756 -0.865 1.00 1.18 H new ATOM 0 HA ALA A 62 33.542 -12.767 -2.593 1.00 1.22 H new ATOM 0 HB1 ALA A 62 32.612 -14.784 -3.726 1.00 1.31 H new ATOM 0 HB2 ALA A 62 34.370 -14.912 -3.479 1.00 1.31 H new ATOM 0 HB3 ALA A 62 33.254 -15.798 -2.412 1.00 1.31 H new ATOM 875 N ILE A 63 31.832 -13.970 -0.161 1.00 0.82 N ATOM 876 CA ILE A 63 30.546 -13.917 0.525 1.00 0.73 C ATOM 877 C ILE A 63 30.219 -12.490 0.937 1.00 0.73 C ATOM 878 O ILE A 63 29.136 -11.985 0.641 1.00 0.73 O ATOM 879 CB ILE A 63 30.527 -14.846 1.761 1.00 0.79 C ATOM 880 CG1 ILE A 63 30.882 -16.287 1.347 1.00 1.08 C ATOM 881 CG2 ILE A 63 29.174 -14.789 2.460 1.00 0.96 C ATOM 882 CD1 ILE A 63 29.705 -17.231 1.229 1.00 0.67 C ATOM 0 H ILE A 63 32.597 -14.339 0.403 1.00 0.82 H new ATOM 0 HA ILE A 63 29.785 -14.267 -0.172 1.00 0.73 H new ATOM 0 HB ILE A 63 31.278 -14.500 2.471 1.00 0.79 H new ATOM 0 HG12 ILE A 63 31.400 -16.256 0.388 1.00 1.08 H new ATOM 0 HG13 ILE A 63 31.583 -16.695 2.075 1.00 1.08 H new ATOM 0 HG21 ILE A 63 29.184 -15.450 3.326 1.00 0.96 H new ATOM 0 HG22 ILE A 63 28.975 -13.768 2.785 1.00 0.96 H new ATOM 0 HG23 ILE A 63 28.394 -15.108 1.769 1.00 0.96 H new ATOM 0 HD11 ILE A 63 30.059 -18.219 0.933 1.00 0.67 H new ATOM 0 HD12 ILE A 63 29.197 -17.301 2.191 1.00 0.67 H new ATOM 0 HD13 ILE A 63 29.011 -16.855 0.478 1.00 0.67 H new ATOM 894 N GLN A 64 31.172 -11.829 1.586 1.00 0.83 N ATOM 895 CA GLN A 64 30.976 -10.446 2.001 1.00 0.95 C ATOM 896 C GLN A 64 30.685 -9.584 0.779 1.00 0.95 C ATOM 897 O GLN A 64 29.683 -8.867 0.732 1.00 0.92 O ATOM 898 CB GLN A 64 32.210 -9.924 2.746 1.00 1.17 C ATOM 899 CG GLN A 64 32.155 -10.152 4.252 1.00 1.62 C ATOM 900 CD GLN A 64 31.920 -11.605 4.621 1.00 2.58 C ATOM 901 OE1 GLN A 64 32.838 -12.475 4.218 1.00 3.24 O flip ATOM 902 NE2 GLN A 64 30.926 -11.941 5.263 1.00 3.27 N flip ATOM 0 H GLN A 64 32.079 -12.224 1.834 1.00 0.83 H new ATOM 0 HA GLN A 64 30.127 -10.397 2.683 1.00 0.95 H new ATOM 0 HB2 GLN A 64 33.099 -10.411 2.345 1.00 1.17 H new ATOM 0 HB3 GLN A 64 32.317 -8.857 2.552 1.00 1.17 H new ATOM 0 HG2 GLN A 64 33.090 -9.815 4.700 1.00 1.62 H new ATOM 0 HG3 GLN A 64 31.359 -9.541 4.678 1.00 1.62 H new ATOM 0 HE21 GLN A 64 30.245 -11.239 5.553 1.00 3.27 H new ATOM 0 HE22 GLN A 64 30.783 -12.921 5.505 1.00 3.27 H new ATOM 911 N GLY A 65 31.557 -9.681 -0.223 1.00 1.05 N ATOM 912 CA GLY A 65 31.365 -8.924 -1.444 1.00 1.14 C ATOM 913 C GLY A 65 29.959 -9.080 -1.985 1.00 0.94 C ATOM 914 O GLY A 65 29.288 -8.094 -2.280 1.00 0.94 O ATOM 0 H GLY A 65 32.390 -10.269 -0.209 1.00 1.05 H new ATOM 0 HA2 GLY A 65 31.567 -7.870 -1.254 1.00 1.14 H new ATOM 0 HA3 GLY A 65 32.083 -9.256 -2.194 1.00 1.14 H new ATOM 918 N VAL A 66 29.502 -10.326 -2.102 1.00 0.83 N ATOM 919 CA VAL A 66 28.160 -10.595 -2.595 1.00 0.72 C ATOM 920 C VAL A 66 27.133 -9.834 -1.768 1.00 0.59 C ATOM 921 O VAL A 66 26.336 -9.066 -2.305 1.00 0.56 O ATOM 922 CB VAL A 66 27.843 -12.108 -2.563 1.00 0.77 C ATOM 923 CG1 VAL A 66 26.341 -12.363 -2.532 1.00 1.22 C ATOM 924 CG2 VAL A 66 28.481 -12.807 -3.754 1.00 1.46 C ATOM 0 H VAL A 66 30.041 -11.158 -1.863 1.00 0.83 H new ATOM 0 HA VAL A 66 28.111 -10.258 -3.630 1.00 0.72 H new ATOM 0 HB VAL A 66 28.266 -12.520 -1.646 1.00 0.77 H new ATOM 0 HG11 VAL A 66 26.155 -13.437 -2.510 1.00 1.22 H new ATOM 0 HG12 VAL A 66 25.912 -11.902 -1.642 1.00 1.22 H new ATOM 0 HG13 VAL A 66 25.881 -11.933 -3.421 1.00 1.22 H new ATOM 0 HG21 VAL A 66 28.249 -13.871 -3.718 1.00 1.46 H new ATOM 0 HG22 VAL A 66 28.090 -12.381 -4.678 1.00 1.46 H new ATOM 0 HG23 VAL A 66 29.562 -12.670 -3.720 1.00 1.46 H new ATOM 934 N LEU A 67 27.170 -10.040 -0.454 1.00 0.58 N ATOM 935 CA LEU A 67 26.248 -9.362 0.453 1.00 0.62 C ATOM 936 C LEU A 67 26.219 -7.863 0.169 1.00 0.69 C ATOM 937 O LEU A 67 25.154 -7.283 -0.042 1.00 0.71 O ATOM 938 CB LEU A 67 26.646 -9.619 1.912 1.00 0.74 C ATOM 939 CG LEU A 67 25.640 -9.123 2.957 1.00 1.29 C ATOM 940 CD1 LEU A 67 25.709 -9.981 4.214 1.00 2.13 C ATOM 941 CD2 LEU A 67 25.889 -7.657 3.292 1.00 1.90 C ATOM 0 H LEU A 67 27.827 -10.670 0.006 1.00 0.58 H new ATOM 0 HA LEU A 67 25.248 -9.764 0.288 1.00 0.62 H new ATOM 0 HB2 LEU A 67 26.791 -10.691 2.050 1.00 0.74 H new ATOM 0 HB3 LEU A 67 27.607 -9.141 2.100 1.00 0.74 H new ATOM 0 HG LEU A 67 24.638 -9.210 2.536 1.00 1.29 H new ATOM 0 HD11 LEU A 67 24.988 -9.614 4.945 1.00 2.13 H new ATOM 0 HD12 LEU A 67 25.476 -11.015 3.962 1.00 2.13 H new ATOM 0 HD13 LEU A 67 26.713 -9.928 4.636 1.00 2.13 H new ATOM 0 HD21 LEU A 67 25.164 -7.325 4.035 1.00 1.90 H new ATOM 0 HD22 LEU A 67 26.897 -7.541 3.691 1.00 1.90 H new ATOM 0 HD23 LEU A 67 25.785 -7.055 2.390 1.00 1.90 H new ATOM 953 N ASP A 68 27.395 -7.240 0.162 1.00 0.79 N ATOM 954 CA ASP A 68 27.499 -5.806 -0.101 1.00 0.94 C ATOM 955 C ASP A 68 26.782 -5.439 -1.398 1.00 0.86 C ATOM 956 O ASP A 68 25.970 -4.512 -1.428 1.00 0.91 O ATOM 957 CB ASP A 68 28.969 -5.378 -0.178 1.00 1.12 C ATOM 958 CG ASP A 68 29.315 -4.705 -1.495 1.00 1.55 C ATOM 959 OD1 ASP A 68 28.990 -5.277 -2.558 1.00 2.24 O ATOM 960 OD2 ASP A 68 29.916 -3.611 -1.463 1.00 2.04 O ATOM 0 H ASP A 68 28.287 -7.703 0.335 1.00 0.79 H new ATOM 0 HA ASP A 68 27.020 -5.277 0.723 1.00 0.94 H new ATOM 0 HB2 ASP A 68 29.188 -4.695 0.643 1.00 1.12 H new ATOM 0 HB3 ASP A 68 29.605 -6.253 -0.043 1.00 1.12 H new ATOM 965 N THR A 69 27.087 -6.166 -2.471 1.00 0.80 N ATOM 966 CA THR A 69 26.466 -5.906 -3.767 1.00 0.80 C ATOM 967 C THR A 69 24.946 -6.040 -3.674 1.00 0.67 C ATOM 968 O THR A 69 24.206 -5.173 -4.143 1.00 0.73 O ATOM 969 CB THR A 69 27.022 -6.861 -4.826 1.00 0.86 C ATOM 970 OG1 THR A 69 28.422 -7.012 -4.677 1.00 1.02 O ATOM 971 CG2 THR A 69 26.761 -6.398 -6.246 1.00 0.94 C ATOM 0 H THR A 69 27.757 -6.935 -2.469 1.00 0.80 H new ATOM 0 HA THR A 69 26.703 -4.884 -4.062 1.00 0.80 H new ATOM 0 HB THR A 69 26.502 -7.805 -4.666 1.00 0.86 H new ATOM 0 HG1 THR A 69 28.757 -6.348 -4.039 1.00 1.02 H new ATOM 0 HG21 THR A 69 27.181 -7.120 -6.947 1.00 0.94 H new ATOM 0 HG22 THR A 69 25.687 -6.315 -6.410 1.00 0.94 H new ATOM 0 HG23 THR A 69 27.228 -5.426 -6.403 1.00 0.94 H new ATOM 979 N GLY A 70 24.483 -7.128 -3.059 1.00 0.57 N ATOM 980 CA GLY A 70 23.053 -7.344 -2.908 1.00 0.59 C ATOM 981 C GLY A 70 22.367 -6.162 -2.249 1.00 0.69 C ATOM 982 O GLY A 70 21.264 -5.777 -2.637 1.00 0.79 O ATOM 0 H GLY A 70 25.071 -7.861 -2.664 1.00 0.57 H new ATOM 0 HA2 GLY A 70 22.608 -7.522 -3.887 1.00 0.59 H new ATOM 0 HA3 GLY A 70 22.883 -8.241 -2.312 1.00 0.59 H new ATOM 986 N LYS A 71 23.020 -5.580 -1.245 1.00 0.76 N ATOM 987 CA LYS A 71 22.459 -4.431 -0.544 1.00 0.94 C ATOM 988 C LYS A 71 22.123 -3.327 -1.541 1.00 0.99 C ATOM 989 O LYS A 71 21.083 -2.673 -1.437 1.00 1.12 O ATOM 990 CB LYS A 71 23.440 -3.914 0.516 1.00 1.05 C ATOM 991 CG LYS A 71 22.795 -3.625 1.866 1.00 1.35 C ATOM 992 CD LYS A 71 22.475 -2.145 2.041 1.00 1.91 C ATOM 993 CE LYS A 71 20.990 -1.859 1.861 1.00 2.53 C ATOM 994 NZ LYS A 71 20.743 -0.857 0.790 1.00 3.25 N ATOM 0 H LYS A 71 23.931 -5.884 -0.902 1.00 0.76 H new ATOM 0 HA LYS A 71 21.544 -4.742 -0.039 1.00 0.94 H new ATOM 0 HB2 LYS A 71 24.232 -4.650 0.653 1.00 1.05 H new ATOM 0 HB3 LYS A 71 23.911 -3.003 0.147 1.00 1.05 H new ATOM 0 HG2 LYS A 71 21.879 -4.208 1.962 1.00 1.35 H new ATOM 0 HG3 LYS A 71 23.464 -3.948 2.664 1.00 1.35 H new ATOM 0 HD2 LYS A 71 22.789 -1.821 3.033 1.00 1.91 H new ATOM 0 HD3 LYS A 71 23.047 -1.562 1.319 1.00 1.91 H new ATOM 0 HE2 LYS A 71 20.469 -2.785 1.619 1.00 2.53 H new ATOM 0 HE3 LYS A 71 20.574 -1.496 2.801 1.00 2.53 H new ATOM 0 HZ1 LYS A 71 19.786 -0.464 0.896 1.00 3.25 H new ATOM 0 HZ2 LYS A 71 21.442 -0.090 0.864 1.00 3.25 H new ATOM 0 HZ3 LYS A 71 20.828 -1.315 -0.140 1.00 3.25 H new ATOM 1008 N LYS A 72 23.003 -3.139 -2.520 1.00 0.95 N ATOM 1009 CA LYS A 72 22.791 -2.128 -3.549 1.00 1.08 C ATOM 1010 C LYS A 72 21.578 -2.498 -4.393 1.00 1.06 C ATOM 1011 O LYS A 72 20.690 -1.675 -4.616 1.00 1.26 O ATOM 1012 CB LYS A 72 24.030 -1.992 -4.437 1.00 1.14 C ATOM 1013 CG LYS A 72 24.070 -0.690 -5.226 1.00 1.49 C ATOM 1014 CD LYS A 72 23.512 -0.863 -6.633 1.00 2.07 C ATOM 1015 CE LYS A 72 22.801 0.394 -7.110 1.00 2.89 C ATOM 1016 NZ LYS A 72 21.389 0.453 -6.637 1.00 3.71 N ATOM 0 H LYS A 72 23.867 -3.672 -2.622 1.00 0.95 H new ATOM 0 HA LYS A 72 22.611 -1.169 -3.064 1.00 1.08 H new ATOM 0 HB2 LYS A 72 24.923 -2.059 -3.815 1.00 1.14 H new ATOM 0 HB3 LYS A 72 24.063 -2.831 -5.133 1.00 1.14 H new ATOM 0 HG2 LYS A 72 23.496 0.072 -4.699 1.00 1.49 H new ATOM 0 HG3 LYS A 72 25.098 -0.332 -5.284 1.00 1.49 H new ATOM 0 HD2 LYS A 72 24.323 -1.106 -7.320 1.00 2.07 H new ATOM 0 HD3 LYS A 72 22.818 -1.703 -6.649 1.00 2.07 H new ATOM 0 HE2 LYS A 72 23.339 1.272 -6.753 1.00 2.89 H new ATOM 0 HE3 LYS A 72 22.820 0.429 -8.199 1.00 2.89 H new ATOM 0 HZ1 LYS A 72 20.757 0.607 -7.449 1.00 3.71 H new ATOM 0 HZ2 LYS A 72 21.141 -0.443 -6.171 1.00 3.71 H new ATOM 0 HZ3 LYS A 72 21.282 1.236 -5.961 1.00 3.71 H new ATOM 1030 N LEU A 73 21.543 -3.749 -4.846 1.00 0.89 N ATOM 1031 CA LEU A 73 20.432 -4.241 -5.654 1.00 0.98 C ATOM 1032 C LEU A 73 19.102 -3.868 -5.008 1.00 1.14 C ATOM 1033 O LEU A 73 18.168 -3.445 -5.688 1.00 1.32 O ATOM 1034 CB LEU A 73 20.522 -5.760 -5.821 1.00 0.97 C ATOM 1035 CG LEU A 73 21.245 -6.234 -7.085 1.00 0.92 C ATOM 1036 CD1 LEU A 73 22.734 -5.936 -6.993 1.00 1.52 C ATOM 1037 CD2 LEU A 73 21.001 -7.718 -7.311 1.00 0.96 C ATOM 0 H LEU A 73 22.272 -4.440 -4.667 1.00 0.89 H new ATOM 0 HA LEU A 73 20.491 -3.776 -6.638 1.00 0.98 H new ATOM 0 HB2 LEU A 73 21.032 -6.176 -4.952 1.00 0.97 H new ATOM 0 HB3 LEU A 73 19.512 -6.170 -5.824 1.00 0.97 H new ATOM 0 HG LEU A 73 20.844 -5.689 -7.939 1.00 0.92 H new ATOM 0 HD11 LEU A 73 23.231 -6.280 -7.900 1.00 1.52 H new ATOM 0 HD12 LEU A 73 22.884 -4.862 -6.882 1.00 1.52 H new ATOM 0 HD13 LEU A 73 23.156 -6.452 -6.131 1.00 1.52 H new ATOM 0 HD21 LEU A 73 21.522 -8.039 -8.213 1.00 0.96 H new ATOM 0 HD22 LEU A 73 21.374 -8.282 -6.456 1.00 0.96 H new ATOM 0 HD23 LEU A 73 19.932 -7.898 -7.426 1.00 0.96 H new ATOM 1049 N SER A 74 19.028 -4.025 -3.687 1.00 1.13 N ATOM 1050 CA SER A 74 17.815 -3.698 -2.945 1.00 1.36 C ATOM 1051 C SER A 74 17.332 -2.294 -3.303 1.00 1.52 C ATOM 1052 O SER A 74 16.196 -2.110 -3.738 1.00 1.76 O ATOM 1053 CB SER A 74 18.067 -3.806 -1.440 1.00 1.37 C ATOM 1054 OG SER A 74 18.740 -5.012 -1.118 1.00 1.67 O ATOM 0 H SER A 74 19.793 -4.376 -3.111 1.00 1.13 H new ATOM 0 HA SER A 74 17.038 -4.412 -3.220 1.00 1.36 H new ATOM 0 HB2 SER A 74 18.660 -2.955 -1.106 1.00 1.37 H new ATOM 0 HB3 SER A 74 17.118 -3.762 -0.906 1.00 1.37 H new ATOM 0 HG SER A 74 18.890 -5.055 -0.150 1.00 1.67 H new ATOM 1060 N ASP A 75 18.212 -1.310 -3.127 1.00 1.47 N ATOM 1061 CA ASP A 75 17.886 0.081 -3.440 1.00 1.71 C ATOM 1062 C ASP A 75 17.607 0.251 -4.932 1.00 1.86 C ATOM 1063 O ASP A 75 16.873 1.151 -5.339 1.00 2.14 O ATOM 1064 CB ASP A 75 19.033 1.005 -3.018 1.00 1.72 C ATOM 1065 CG ASP A 75 19.245 2.152 -3.988 1.00 1.79 C ATOM 1066 OD1 ASP A 75 19.595 1.883 -5.156 1.00 2.34 O ATOM 1067 OD2 ASP A 75 19.061 3.320 -3.582 1.00 2.15 O ATOM 0 H ASP A 75 19.157 -1.450 -2.769 1.00 1.47 H new ATOM 0 HA ASP A 75 16.988 0.351 -2.885 1.00 1.71 H new ATOM 0 HB2 ASP A 75 18.825 1.406 -2.026 1.00 1.72 H new ATOM 0 HB3 ASP A 75 19.952 0.425 -2.941 1.00 1.72 H new ATOM 1072 N ASP A 76 18.210 -0.618 -5.741 1.00 1.77 N ATOM 1073 CA ASP A 76 18.040 -0.575 -7.193 1.00 2.01 C ATOM 1074 C ASP A 76 16.623 -0.993 -7.590 1.00 1.98 C ATOM 1075 O ASP A 76 16.087 -0.532 -8.598 1.00 2.28 O ATOM 1076 CB ASP A 76 19.070 -1.486 -7.871 1.00 2.20 C ATOM 1077 CG ASP A 76 19.694 -0.854 -9.102 1.00 2.36 C ATOM 1078 OD1 ASP A 76 18.943 -0.315 -9.941 1.00 2.89 O ATOM 1079 OD2 ASP A 76 20.936 -0.902 -9.225 1.00 2.64 O ATOM 0 H ASP A 76 18.824 -1.364 -5.414 1.00 1.77 H new ATOM 0 HA ASP A 76 18.198 0.451 -7.526 1.00 2.01 H new ATOM 0 HB2 ASP A 76 19.856 -1.733 -7.157 1.00 2.20 H new ATOM 0 HB3 ASP A 76 18.590 -2.423 -8.153 1.00 2.20 H new ATOM 1084 N ASN A 77 16.025 -1.871 -6.789 1.00 1.87 N ATOM 1085 CA ASN A 77 14.670 -2.354 -7.041 1.00 2.13 C ATOM 1086 C ASN A 77 14.553 -2.989 -8.431 1.00 1.92 C ATOM 1087 O ASN A 77 15.301 -3.904 -8.757 1.00 2.30 O ATOM 1088 CB ASN A 77 13.661 -1.212 -6.872 1.00 3.00 C ATOM 1089 CG ASN A 77 12.230 -1.709 -6.802 1.00 3.68 C ATOM 1090 OD1 ASN A 77 11.435 -1.480 -7.715 1.00 3.93 O ATOM 1091 ND2 ASN A 77 11.893 -2.393 -5.715 1.00 4.42 N ATOM 0 H ASN A 77 16.461 -2.265 -5.955 1.00 1.87 H new ATOM 0 HA ASN A 77 14.443 -3.129 -6.309 1.00 2.13 H new ATOM 0 HB2 ASN A 77 13.894 -0.656 -5.964 1.00 3.00 H new ATOM 0 HB3 ASN A 77 13.761 -0.517 -7.706 1.00 3.00 H new ATOM 0 HD21 ASN A 77 10.944 -2.752 -5.612 1.00 4.42 H new ATOM 0 HD22 ASN A 77 12.583 -2.560 -4.983 1.00 4.42 H new ATOM 1098 N THR A 78 13.607 -2.507 -9.238 1.00 2.42 N ATOM 1099 CA THR A 78 13.391 -3.035 -10.587 1.00 3.13 C ATOM 1100 C THR A 78 12.875 -4.477 -10.549 1.00 3.07 C ATOM 1101 O THR A 78 13.518 -5.396 -11.063 1.00 3.33 O ATOM 1102 CB THR A 78 14.678 -2.952 -11.418 1.00 4.02 C ATOM 1103 OG1 THR A 78 15.345 -1.720 -11.199 1.00 4.29 O ATOM 1104 CG2 THR A 78 14.441 -3.076 -12.909 1.00 4.87 C ATOM 0 H THR A 78 12.975 -1.749 -8.980 1.00 2.42 H new ATOM 0 HA THR A 78 12.629 -2.417 -11.061 1.00 3.13 H new ATOM 0 HB THR A 78 15.283 -3.796 -11.086 1.00 4.02 H new ATOM 0 HG1 THR A 78 15.913 -1.514 -11.970 1.00 4.29 H new ATOM 0 HG21 THR A 78 15.393 -3.009 -13.436 1.00 4.87 H new ATOM 0 HG22 THR A 78 13.974 -4.037 -13.125 1.00 4.87 H new ATOM 0 HG23 THR A 78 13.785 -2.271 -13.241 1.00 4.87 H new ATOM 1112 N ILE A 79 11.701 -4.654 -9.944 1.00 3.06 N ATOM 1113 CA ILE A 79 11.056 -5.963 -9.832 1.00 3.21 C ATOM 1114 C ILE A 79 12.062 -7.090 -9.565 1.00 2.90 C ATOM 1115 O ILE A 79 12.602 -7.184 -8.478 1.00 3.08 O ATOM 1116 CB ILE A 79 10.226 -6.286 -11.100 1.00 3.81 C ATOM 1117 CG1 ILE A 79 9.266 -5.132 -11.419 1.00 4.11 C ATOM 1118 CG2 ILE A 79 9.447 -7.586 -10.917 1.00 4.49 C ATOM 1119 CD1 ILE A 79 9.781 -4.185 -12.484 1.00 4.56 C ATOM 0 H ILE A 79 11.170 -3.895 -9.518 1.00 3.06 H new ATOM 0 HA ILE A 79 10.388 -5.905 -8.973 1.00 3.21 H new ATOM 0 HB ILE A 79 10.914 -6.411 -11.937 1.00 3.81 H new ATOM 0 HG12 ILE A 79 8.311 -5.545 -11.744 1.00 4.11 H new ATOM 0 HG13 ILE A 79 9.075 -4.568 -10.506 1.00 4.11 H new ATOM 0 HG21 ILE A 79 8.871 -7.795 -11.818 1.00 4.49 H new ATOM 0 HG22 ILE A 79 10.143 -8.405 -10.733 1.00 4.49 H new ATOM 0 HG23 ILE A 79 8.770 -7.488 -10.068 1.00 4.49 H new ATOM 0 HD11 ILE A 79 9.048 -3.396 -12.655 1.00 4.56 H new ATOM 0 HD12 ILE A 79 10.721 -3.742 -12.154 1.00 4.56 H new ATOM 0 HD13 ILE A 79 9.945 -4.735 -13.411 1.00 4.56 H new ATOM 1131 N GLY A 80 12.288 -7.941 -10.569 1.00 2.87 N ATOM 1132 CA GLY A 80 13.208 -9.076 -10.458 1.00 2.77 C ATOM 1133 C GLY A 80 14.165 -9.047 -9.268 1.00 2.49 C ATOM 1134 O GLY A 80 14.193 -9.985 -8.468 1.00 2.38 O ATOM 0 H GLY A 80 11.839 -7.863 -11.481 1.00 2.87 H new ATOM 0 HA2 GLY A 80 12.619 -9.992 -10.403 1.00 2.77 H new ATOM 0 HA3 GLY A 80 13.798 -9.131 -11.373 1.00 2.77 H new ATOM 1138 N LYS A 81 14.970 -7.991 -9.167 1.00 2.47 N ATOM 1139 CA LYS A 81 15.961 -7.870 -8.090 1.00 2.30 C ATOM 1140 C LYS A 81 15.383 -8.189 -6.703 1.00 2.13 C ATOM 1141 O LYS A 81 16.079 -8.741 -5.857 1.00 1.92 O ATOM 1142 CB LYS A 81 16.582 -6.474 -8.098 1.00 2.45 C ATOM 1143 CG LYS A 81 17.184 -6.090 -9.444 1.00 2.98 C ATOM 1144 CD LYS A 81 18.344 -5.117 -9.285 1.00 3.54 C ATOM 1145 CE LYS A 81 18.431 -4.150 -10.456 1.00 4.27 C ATOM 1146 NZ LYS A 81 17.580 -2.948 -10.244 1.00 4.40 N ATOM 0 H LYS A 81 14.958 -7.204 -9.816 1.00 2.47 H new ATOM 0 HA LYS A 81 16.732 -8.615 -8.286 1.00 2.30 H new ATOM 0 HB2 LYS A 81 15.820 -5.743 -7.827 1.00 2.45 H new ATOM 0 HB3 LYS A 81 17.357 -6.424 -7.334 1.00 2.45 H new ATOM 0 HG2 LYS A 81 17.529 -6.987 -9.957 1.00 2.98 H new ATOM 0 HG3 LYS A 81 16.415 -5.640 -10.072 1.00 2.98 H new ATOM 0 HD2 LYS A 81 18.224 -4.556 -8.358 1.00 3.54 H new ATOM 0 HD3 LYS A 81 19.277 -5.674 -9.203 1.00 3.54 H new ATOM 0 HE2 LYS A 81 19.467 -3.842 -10.597 1.00 4.27 H new ATOM 0 HE3 LYS A 81 18.122 -4.657 -11.370 1.00 4.27 H new ATOM 0 HZ1 LYS A 81 16.917 -2.848 -11.039 1.00 4.40 H new ATOM 0 HZ2 LYS A 81 17.045 -3.053 -9.358 1.00 4.40 H new ATOM 0 HZ3 LYS A 81 18.182 -2.102 -10.187 1.00 4.40 H new ATOM 1160 N GLU A 82 14.117 -7.856 -6.479 1.00 2.24 N ATOM 1161 CA GLU A 82 13.462 -8.123 -5.201 1.00 2.14 C ATOM 1162 C GLU A 82 13.592 -9.597 -4.831 1.00 1.94 C ATOM 1163 O GLU A 82 14.079 -9.936 -3.752 1.00 1.76 O ATOM 1164 CB GLU A 82 11.985 -7.724 -5.274 1.00 2.37 C ATOM 1165 CG GLU A 82 11.739 -6.233 -5.087 1.00 2.74 C ATOM 1166 CD GLU A 82 12.639 -5.370 -5.954 1.00 2.68 C ATOM 1167 OE1 GLU A 82 13.815 -5.179 -5.579 1.00 3.00 O ATOM 1168 OE2 GLU A 82 12.167 -4.882 -7.002 1.00 2.89 O ATOM 0 H GLU A 82 13.520 -7.399 -7.168 1.00 2.24 H new ATOM 0 HA GLU A 82 13.951 -7.529 -4.429 1.00 2.14 H new ATOM 0 HB2 GLU A 82 11.583 -8.030 -6.240 1.00 2.37 H new ATOM 0 HB3 GLU A 82 11.433 -8.272 -4.511 1.00 2.37 H new ATOM 0 HG2 GLU A 82 10.698 -6.010 -5.319 1.00 2.74 H new ATOM 0 HG3 GLU A 82 11.895 -5.973 -4.040 1.00 2.74 H new ATOM 1175 N GLU A 83 13.171 -10.472 -5.742 1.00 2.03 N ATOM 1176 CA GLU A 83 13.260 -11.910 -5.514 1.00 1.94 C ATOM 1177 C GLU A 83 14.682 -12.279 -5.109 1.00 1.73 C ATOM 1178 O GLU A 83 14.898 -12.995 -4.129 1.00 1.57 O ATOM 1179 CB GLU A 83 12.842 -12.679 -6.774 1.00 2.17 C ATOM 1180 CG GLU A 83 13.254 -14.145 -6.773 1.00 2.39 C ATOM 1181 CD GLU A 83 14.597 -14.379 -7.442 1.00 2.51 C ATOM 1182 OE1 GLU A 83 14.694 -14.171 -8.671 1.00 2.94 O ATOM 1183 OE2 GLU A 83 15.552 -14.773 -6.740 1.00 2.93 O ATOM 0 H GLU A 83 12.767 -10.210 -6.641 1.00 2.03 H new ATOM 0 HA GLU A 83 12.580 -12.185 -4.707 1.00 1.94 H new ATOM 0 HB2 GLU A 83 11.759 -12.617 -6.882 1.00 2.17 H new ATOM 0 HB3 GLU A 83 13.278 -12.191 -7.646 1.00 2.17 H new ATOM 0 HG2 GLU A 83 13.298 -14.505 -5.745 1.00 2.39 H new ATOM 0 HG3 GLU A 83 12.491 -14.732 -7.284 1.00 2.39 H new ATOM 1190 N ILE A 84 15.650 -11.769 -5.861 1.00 1.75 N ATOM 1191 CA ILE A 84 17.053 -12.023 -5.571 1.00 1.60 C ATOM 1192 C ILE A 84 17.375 -11.601 -4.143 1.00 1.38 C ATOM 1193 O ILE A 84 17.965 -12.361 -3.381 1.00 1.22 O ATOM 1194 CB ILE A 84 17.977 -11.267 -6.550 1.00 1.73 C ATOM 1195 CG1 ILE A 84 17.828 -11.837 -7.965 1.00 2.03 C ATOM 1196 CG2 ILE A 84 19.427 -11.337 -6.085 1.00 1.57 C ATOM 1197 CD1 ILE A 84 18.756 -12.997 -8.261 1.00 2.47 C ATOM 0 H ILE A 84 15.488 -11.177 -6.676 1.00 1.75 H new ATOM 0 HA ILE A 84 17.228 -13.092 -5.689 1.00 1.60 H new ATOM 0 HB ILE A 84 17.682 -10.218 -6.568 1.00 1.73 H new ATOM 0 HG12 ILE A 84 16.798 -12.163 -8.108 1.00 2.03 H new ATOM 0 HG13 ILE A 84 18.014 -11.042 -8.688 1.00 2.03 H new ATOM 0 HG21 ILE A 84 20.061 -10.798 -6.789 1.00 1.57 H new ATOM 0 HG22 ILE A 84 19.515 -10.884 -5.097 1.00 1.57 H new ATOM 0 HG23 ILE A 84 19.743 -12.379 -6.036 1.00 1.57 H new ATOM 0 HD11 ILE A 84 18.590 -13.344 -9.281 1.00 2.47 H new ATOM 0 HD12 ILE A 84 19.791 -12.672 -8.152 1.00 2.47 H new ATOM 0 HD13 ILE A 84 18.556 -13.810 -7.564 1.00 2.47 H new ATOM 1209 N GLN A 85 16.971 -10.385 -3.786 1.00 1.45 N ATOM 1210 CA GLN A 85 17.204 -9.856 -2.447 1.00 1.35 C ATOM 1211 C GLN A 85 16.738 -10.852 -1.389 1.00 1.19 C ATOM 1212 O GLN A 85 17.490 -11.198 -0.480 1.00 1.05 O ATOM 1213 CB GLN A 85 16.476 -8.520 -2.265 1.00 1.56 C ATOM 1214 CG GLN A 85 16.992 -7.697 -1.094 1.00 1.77 C ATOM 1215 CD GLN A 85 16.452 -8.174 0.240 1.00 2.36 C ATOM 1216 OE1 GLN A 85 15.141 -8.067 0.420 1.00 2.80 O flip ATOM 1217 NE2 GLN A 85 17.204 -8.633 1.099 1.00 3.13 N flip ATOM 0 H GLN A 85 16.478 -9.745 -4.409 1.00 1.45 H new ATOM 0 HA GLN A 85 18.275 -9.693 -2.326 1.00 1.35 H new ATOM 0 HB2 GLN A 85 16.574 -7.935 -3.180 1.00 1.56 H new ATOM 0 HB3 GLN A 85 15.413 -8.712 -2.122 1.00 1.56 H new ATOM 0 HG2 GLN A 85 18.081 -7.740 -1.077 1.00 1.77 H new ATOM 0 HG3 GLN A 85 16.717 -6.652 -1.240 1.00 1.77 H new ATOM 0 HE21 GLN A 85 18.206 -8.697 0.918 1.00 3.13 H new ATOM 0 HE22 GLN A 85 16.826 -8.950 1.992 1.00 3.13 H new ATOM 1226 N GLN A 86 15.497 -11.317 -1.520 1.00 1.26 N ATOM 1227 CA GLN A 86 14.942 -12.284 -0.577 1.00 1.18 C ATOM 1228 C GLN A 86 15.837 -13.518 -0.489 1.00 1.03 C ATOM 1229 O GLN A 86 16.191 -13.964 0.603 1.00 0.90 O ATOM 1230 CB GLN A 86 13.524 -12.687 -0.996 1.00 1.37 C ATOM 1231 CG GLN A 86 12.430 -11.930 -0.256 1.00 1.47 C ATOM 1232 CD GLN A 86 12.584 -10.425 -0.362 1.00 2.31 C ATOM 1233 OE1 GLN A 86 12.516 -9.856 -1.450 1.00 2.90 O ATOM 1234 NE2 GLN A 86 12.794 -9.770 0.775 1.00 3.09 N ATOM 0 H GLN A 86 14.860 -11.041 -2.267 1.00 1.26 H new ATOM 0 HA GLN A 86 14.895 -11.817 0.407 1.00 1.18 H new ATOM 0 HB2 GLN A 86 13.409 -12.519 -2.067 1.00 1.37 H new ATOM 0 HB3 GLN A 86 13.394 -13.756 -0.825 1.00 1.37 H new ATOM 0 HG2 GLN A 86 11.459 -12.221 -0.656 1.00 1.47 H new ATOM 0 HG3 GLN A 86 12.441 -12.219 0.795 1.00 1.47 H new ATOM 0 HE21 GLN A 86 12.843 -10.281 1.656 1.00 3.09 H new ATOM 0 HE22 GLN A 86 12.906 -8.756 0.766 1.00 3.09 H new ATOM 1243 N ARG A 87 16.206 -14.060 -1.648 1.00 1.11 N ATOM 1244 CA ARG A 87 17.069 -15.236 -1.706 1.00 1.09 C ATOM 1245 C ARG A 87 18.403 -14.955 -1.021 1.00 0.91 C ATOM 1246 O ARG A 87 18.883 -15.751 -0.215 1.00 0.87 O ATOM 1247 CB ARG A 87 17.303 -15.652 -3.162 1.00 1.29 C ATOM 1248 CG ARG A 87 17.817 -17.076 -3.318 1.00 1.78 C ATOM 1249 CD ARG A 87 17.160 -17.781 -4.495 1.00 2.22 C ATOM 1250 NE ARG A 87 17.169 -16.956 -5.702 1.00 2.81 N ATOM 1251 CZ ARG A 87 18.077 -17.057 -6.670 1.00 3.73 C ATOM 1252 NH1 ARG A 87 19.054 -17.947 -6.562 1.00 4.21 N ATOM 1253 NH2 ARG A 87 18.010 -16.278 -7.742 1.00 4.43 N ATOM 0 H ARG A 87 15.920 -13.703 -2.560 1.00 1.11 H new ATOM 0 HA ARG A 87 16.573 -16.053 -1.181 1.00 1.09 H new ATOM 0 HB2 ARG A 87 16.369 -15.550 -3.714 1.00 1.29 H new ATOM 0 HB3 ARG A 87 18.018 -14.966 -3.616 1.00 1.29 H new ATOM 0 HG2 ARG A 87 18.898 -17.060 -3.459 1.00 1.78 H new ATOM 0 HG3 ARG A 87 17.623 -17.636 -2.403 1.00 1.78 H new ATOM 0 HD2 ARG A 87 17.680 -18.718 -4.693 1.00 2.22 H new ATOM 0 HD3 ARG A 87 16.132 -18.035 -4.237 1.00 2.22 H new ATOM 0 HE ARG A 87 16.432 -16.259 -5.809 1.00 2.81 H new ATOM 0 HH11 ARG A 87 19.107 -18.549 -5.741 1.00 4.21 H new ATOM 0 HH12 ARG A 87 19.753 -18.029 -7.300 1.00 4.21 H new ATOM 0 HH21 ARG A 87 17.258 -15.594 -7.829 1.00 4.43 H new ATOM 0 HH22 ARG A 87 18.710 -16.363 -8.479 1.00 4.43 H new ATOM 1267 N LEU A 88 18.999 -13.816 -1.355 1.00 0.87 N ATOM 1268 CA LEU A 88 20.273 -13.416 -0.778 1.00 0.78 C ATOM 1269 C LEU A 88 20.178 -13.380 0.744 1.00 0.71 C ATOM 1270 O LEU A 88 21.080 -13.839 1.442 1.00 0.67 O ATOM 1271 CB LEU A 88 20.684 -12.040 -1.317 1.00 0.86 C ATOM 1272 CG LEU A 88 22.090 -11.562 -0.927 1.00 1.04 C ATOM 1273 CD1 LEU A 88 22.060 -10.824 0.405 1.00 1.15 C ATOM 1274 CD2 LEU A 88 23.067 -12.727 -0.873 1.00 1.90 C ATOM 0 H LEU A 88 18.616 -13.151 -2.027 1.00 0.87 H new ATOM 0 HA LEU A 88 21.031 -14.146 -1.061 1.00 0.78 H new ATOM 0 HB2 LEU A 88 20.617 -12.062 -2.405 1.00 0.86 H new ATOM 0 HB3 LEU A 88 19.961 -11.303 -0.968 1.00 0.86 H new ATOM 0 HG LEU A 88 22.433 -10.869 -1.695 1.00 1.04 H new ATOM 0 HD11 LEU A 88 23.067 -10.495 0.661 1.00 1.15 H new ATOM 0 HD12 LEU A 88 21.404 -9.957 0.326 1.00 1.15 H new ATOM 0 HD13 LEU A 88 21.688 -11.491 1.182 1.00 1.15 H new ATOM 0 HD21 LEU A 88 24.055 -12.361 -0.595 1.00 1.90 H new ATOM 0 HD22 LEU A 88 22.727 -13.453 -0.134 1.00 1.90 H new ATOM 0 HD23 LEU A 88 23.119 -13.204 -1.852 1.00 1.90 H new ATOM 1286 N ALA A 89 19.074 -12.840 1.254 1.00 0.77 N ATOM 1287 CA ALA A 89 18.863 -12.756 2.693 1.00 0.81 C ATOM 1288 C ALA A 89 18.889 -14.143 3.319 1.00 0.74 C ATOM 1289 O ALA A 89 19.409 -14.330 4.420 1.00 0.77 O ATOM 1290 CB ALA A 89 17.548 -12.052 2.998 1.00 0.97 C ATOM 0 H ALA A 89 18.315 -12.455 0.692 1.00 0.77 H new ATOM 0 HA ALA A 89 19.674 -12.171 3.127 1.00 0.81 H new ATOM 0 HB1 ALA A 89 17.406 -11.998 4.077 1.00 0.97 H new ATOM 0 HB2 ALA A 89 17.570 -11.044 2.584 1.00 0.97 H new ATOM 0 HB3 ALA A 89 16.725 -12.609 2.551 1.00 0.97 H new ATOM 1296 N GLN A 90 18.341 -15.118 2.600 1.00 0.73 N ATOM 1297 CA GLN A 90 18.320 -16.495 3.078 1.00 0.79 C ATOM 1298 C GLN A 90 19.726 -17.074 3.017 1.00 0.73 C ATOM 1299 O GLN A 90 20.146 -17.813 3.906 1.00 0.79 O ATOM 1300 CB GLN A 90 17.352 -17.343 2.248 1.00 0.90 C ATOM 1301 CG GLN A 90 15.888 -16.992 2.477 1.00 1.35 C ATOM 1302 CD GLN A 90 15.002 -17.378 1.308 1.00 1.96 C ATOM 1303 OE1 GLN A 90 14.834 -16.607 0.363 1.00 2.38 O ATOM 1304 NE2 GLN A 90 14.433 -18.575 1.364 1.00 2.72 N ATOM 0 H GLN A 90 17.907 -14.980 1.687 1.00 0.73 H new ATOM 0 HA GLN A 90 17.972 -16.507 4.111 1.00 0.79 H new ATOM 0 HB2 GLN A 90 17.586 -17.218 1.191 1.00 0.90 H new ATOM 0 HB3 GLN A 90 17.507 -18.395 2.487 1.00 0.90 H new ATOM 0 HG2 GLN A 90 15.535 -17.496 3.377 1.00 1.35 H new ATOM 0 HG3 GLN A 90 15.800 -15.920 2.656 1.00 1.35 H new ATOM 0 HE21 GLN A 90 14.600 -19.182 2.167 1.00 2.72 H new ATOM 0 HE22 GLN A 90 13.829 -18.888 0.604 1.00 2.72 H new ATOM 1313 N PHE A 91 20.459 -16.720 1.961 1.00 0.66 N ATOM 1314 CA PHE A 91 21.825 -17.195 1.802 1.00 0.67 C ATOM 1315 C PHE A 91 22.637 -16.814 3.031 1.00 0.67 C ATOM 1316 O PHE A 91 23.305 -17.654 3.626 1.00 0.74 O ATOM 1317 CB PHE A 91 22.477 -16.611 0.540 1.00 0.65 C ATOM 1318 CG PHE A 91 23.912 -17.030 0.375 1.00 0.66 C ATOM 1319 CD1 PHE A 91 24.909 -16.462 1.153 1.00 1.03 C ATOM 1320 CD2 PHE A 91 24.258 -18.006 -0.539 1.00 0.93 C ATOM 1321 CE1 PHE A 91 26.222 -16.864 1.020 1.00 1.19 C ATOM 1322 CE2 PHE A 91 25.570 -18.408 -0.681 1.00 0.92 C ATOM 1323 CZ PHE A 91 26.553 -17.838 0.102 1.00 0.90 C ATOM 0 H PHE A 91 20.130 -16.111 1.212 1.00 0.66 H new ATOM 0 HA PHE A 91 21.803 -18.279 1.694 1.00 0.67 H new ATOM 0 HB2 PHE A 91 21.909 -16.926 -0.335 1.00 0.65 H new ATOM 0 HB3 PHE A 91 22.424 -15.523 0.580 1.00 0.65 H new ATOM 0 HD1 PHE A 91 24.655 -15.696 1.871 1.00 1.03 H new ATOM 0 HD2 PHE A 91 23.492 -18.460 -1.150 1.00 0.93 H new ATOM 0 HE1 PHE A 91 26.989 -16.416 1.634 1.00 1.19 H new ATOM 0 HE2 PHE A 91 25.827 -19.168 -1.404 1.00 0.92 H new ATOM 0 HZ PHE A 91 27.580 -18.154 -0.004 1.00 0.90 H new ATOM 1333 N VAL A 92 22.552 -15.543 3.422 1.00 0.64 N ATOM 1334 CA VAL A 92 23.272 -15.063 4.596 1.00 0.72 C ATOM 1335 C VAL A 92 22.979 -15.954 5.795 1.00 0.77 C ATOM 1336 O VAL A 92 23.893 -16.466 6.435 1.00 0.86 O ATOM 1337 CB VAL A 92 22.905 -13.603 4.939 1.00 0.77 C ATOM 1338 CG1 VAL A 92 23.727 -13.103 6.120 1.00 0.86 C ATOM 1339 CG2 VAL A 92 23.105 -12.701 3.731 1.00 1.37 C ATOM 0 H VAL A 92 21.995 -14.833 2.946 1.00 0.64 H new ATOM 0 HA VAL A 92 24.336 -15.099 4.360 1.00 0.72 H new ATOM 0 HB VAL A 92 21.852 -13.575 5.218 1.00 0.77 H new ATOM 0 HG11 VAL A 92 23.452 -12.072 6.344 1.00 0.86 H new ATOM 0 HG12 VAL A 92 23.531 -13.729 6.991 1.00 0.86 H new ATOM 0 HG13 VAL A 92 24.787 -13.150 5.871 1.00 0.86 H new ATOM 0 HG21 VAL A 92 22.841 -11.677 3.994 1.00 1.37 H new ATOM 0 HG22 VAL A 92 24.149 -12.738 3.418 1.00 1.37 H new ATOM 0 HG23 VAL A 92 22.469 -13.041 2.914 1.00 1.37 H new ATOM 1349 N ASP A 93 21.693 -16.160 6.076 1.00 0.77 N ATOM 1350 CA ASP A 93 21.282 -17.015 7.187 1.00 0.86 C ATOM 1351 C ASP A 93 22.012 -18.353 7.112 1.00 0.91 C ATOM 1352 O ASP A 93 22.680 -18.767 8.058 1.00 1.00 O ATOM 1353 CB ASP A 93 19.765 -17.248 7.151 1.00 0.90 C ATOM 1354 CG ASP A 93 19.361 -18.509 7.892 1.00 1.10 C ATOM 1355 OD1 ASP A 93 19.544 -18.558 9.127 1.00 1.55 O ATOM 1356 OD2 ASP A 93 18.874 -19.453 7.235 1.00 1.71 O ATOM 0 H ASP A 93 20.921 -15.748 5.552 1.00 0.77 H new ATOM 0 HA ASP A 93 21.538 -16.517 8.122 1.00 0.86 H new ATOM 0 HB2 ASP A 93 19.257 -16.391 7.592 1.00 0.90 H new ATOM 0 HB3 ASP A 93 19.434 -17.316 6.115 1.00 0.90 H new ATOM 1361 N HIS A 94 21.893 -19.014 5.968 1.00 0.89 N ATOM 1362 CA HIS A 94 22.549 -20.297 5.754 1.00 0.98 C ATOM 1363 C HIS A 94 24.035 -20.188 6.068 1.00 1.00 C ATOM 1364 O HIS A 94 24.568 -20.945 6.877 1.00 1.12 O ATOM 1365 CB HIS A 94 22.357 -20.742 4.308 1.00 1.00 C ATOM 1366 CG HIS A 94 20.926 -20.741 3.863 1.00 1.35 C ATOM 1367 ND1 HIS A 94 19.855 -20.567 4.715 1.00 2.17 N ATOM 1368 CD2 HIS A 94 20.393 -20.901 2.624 1.00 1.73 C ATOM 1369 CE1 HIS A 94 18.734 -20.628 3.985 1.00 2.46 C ATOM 1370 NE2 HIS A 94 19.006 -20.829 2.710 1.00 2.14 N ATOM 0 H HIS A 94 21.347 -18.682 5.173 1.00 0.89 H new ATOM 0 HA HIS A 94 22.102 -21.036 6.419 1.00 0.98 H new ATOM 0 HB2 HIS A 94 22.932 -20.085 3.655 1.00 1.00 H new ATOM 0 HB3 HIS A 94 22.765 -21.746 4.189 1.00 1.00 H new ATOM 0 HD1 HIS A 94 19.908 -20.418 5.723 1.00 2.17 H new ATOM 0 HD2 HIS A 94 20.956 -21.059 1.716 1.00 1.73 H new ATOM 0 HE1 HIS A 94 17.737 -20.526 4.388 1.00 2.46 H new ATOM 1378 N TRP A 95 24.694 -19.222 5.436 1.00 0.93 N ATOM 1379 CA TRP A 95 26.115 -18.991 5.653 1.00 1.00 C ATOM 1380 C TRP A 95 26.409 -18.871 7.139 1.00 1.06 C ATOM 1381 O TRP A 95 27.356 -19.461 7.642 1.00 1.16 O ATOM 1382 CB TRP A 95 26.564 -17.712 4.939 1.00 0.97 C ATOM 1383 CG TRP A 95 28.033 -17.456 5.067 1.00 1.09 C ATOM 1384 CD1 TRP A 95 28.639 -16.391 5.671 1.00 2.01 C ATOM 1385 CD2 TRP A 95 29.083 -18.295 4.587 1.00 1.04 C ATOM 1386 NE1 TRP A 95 30.006 -16.520 5.588 1.00 1.88 N ATOM 1387 CE2 TRP A 95 30.300 -17.684 4.929 1.00 1.04 C ATOM 1388 CE3 TRP A 95 29.108 -19.507 3.899 1.00 2.03 C ATOM 1389 CZ2 TRP A 95 31.528 -18.250 4.606 1.00 1.13 C ATOM 1390 CZ3 TRP A 95 30.327 -20.064 3.581 1.00 2.64 C ATOM 1391 CH2 TRP A 95 31.522 -19.436 3.935 1.00 2.05 C ATOM 0 H TRP A 95 24.263 -18.585 4.767 1.00 0.93 H new ATOM 0 HA TRP A 95 26.665 -19.839 5.245 1.00 1.00 H new ATOM 0 HB2 TRP A 95 26.304 -17.781 3.883 1.00 0.97 H new ATOM 0 HB3 TRP A 95 26.016 -16.863 5.347 1.00 0.97 H new ATOM 0 HD1 TRP A 95 28.121 -15.569 6.144 1.00 2.01 H new ATOM 0 HE1 TRP A 95 30.688 -15.858 5.957 1.00 1.88 H new ATOM 0 HE3 TRP A 95 28.189 -20.000 3.620 1.00 2.03 H new ATOM 0 HZ2 TRP A 95 32.455 -17.766 4.878 1.00 1.13 H new ATOM 0 HZ3 TRP A 95 30.359 -21.003 3.048 1.00 2.64 H new ATOM 0 HH2 TRP A 95 32.461 -19.900 3.672 1.00 2.05 H new ATOM 1402 N LYS A 96 25.580 -18.100 7.826 1.00 1.03 N ATOM 1403 CA LYS A 96 25.730 -17.889 9.261 1.00 1.12 C ATOM 1404 C LYS A 96 25.816 -19.218 10.008 1.00 1.21 C ATOM 1405 O LYS A 96 26.745 -19.440 10.785 1.00 1.32 O ATOM 1406 CB LYS A 96 24.562 -17.046 9.786 1.00 1.12 C ATOM 1407 CG LYS A 96 24.616 -16.758 11.278 1.00 1.49 C ATOM 1408 CD LYS A 96 23.796 -17.760 12.083 1.00 1.83 C ATOM 1409 CE LYS A 96 22.315 -17.700 11.726 1.00 2.36 C ATOM 1410 NZ LYS A 96 21.892 -18.863 10.897 1.00 2.86 N ATOM 0 H LYS A 96 24.790 -17.606 7.411 1.00 1.03 H new ATOM 0 HA LYS A 96 26.662 -17.352 9.437 1.00 1.12 H new ATOM 0 HB2 LYS A 96 24.542 -16.099 9.246 1.00 1.12 H new ATOM 0 HB3 LYS A 96 23.628 -17.561 9.561 1.00 1.12 H new ATOM 0 HG2 LYS A 96 25.652 -16.784 11.615 1.00 1.49 H new ATOM 0 HG3 LYS A 96 24.244 -15.751 11.467 1.00 1.49 H new ATOM 0 HD2 LYS A 96 24.173 -18.767 11.901 1.00 1.83 H new ATOM 0 HD3 LYS A 96 23.921 -17.560 13.147 1.00 1.83 H new ATOM 0 HE2 LYS A 96 21.723 -17.673 12.641 1.00 2.36 H new ATOM 0 HE3 LYS A 96 22.110 -16.776 11.185 1.00 2.36 H new ATOM 0 HZ1 LYS A 96 21.056 -18.603 10.336 1.00 2.86 H new ATOM 0 HZ2 LYS A 96 22.667 -19.135 10.259 1.00 2.86 H new ATOM 0 HZ3 LYS A 96 21.657 -19.664 11.517 1.00 2.86 H new ATOM 1424 N GLU A 97 24.848 -20.102 9.773 1.00 1.20 N ATOM 1425 CA GLU A 97 24.838 -21.404 10.437 1.00 1.32 C ATOM 1426 C GLU A 97 26.123 -22.175 10.136 1.00 1.36 C ATOM 1427 O GLU A 97 26.744 -22.743 11.037 1.00 1.47 O ATOM 1428 CB GLU A 97 23.593 -22.210 10.025 1.00 1.36 C ATOM 1429 CG GLU A 97 23.836 -23.275 8.957 1.00 1.86 C ATOM 1430 CD GLU A 97 24.583 -24.491 9.481 1.00 2.35 C ATOM 1431 OE1 GLU A 97 24.356 -24.876 10.648 1.00 2.68 O ATOM 1432 OE2 GLU A 97 25.395 -25.059 8.721 1.00 3.03 O ATOM 0 H GLU A 97 24.068 -19.943 9.135 1.00 1.20 H new ATOM 0 HA GLU A 97 24.793 -21.243 11.514 1.00 1.32 H new ATOM 0 HB2 GLU A 97 23.182 -22.693 10.911 1.00 1.36 H new ATOM 0 HB3 GLU A 97 22.835 -21.517 9.660 1.00 1.36 H new ATOM 0 HG2 GLU A 97 22.878 -23.594 8.547 1.00 1.86 H new ATOM 0 HG3 GLU A 97 24.403 -22.835 8.137 1.00 1.86 H new ATOM 1439 N LEU A 98 26.520 -22.181 8.867 1.00 1.31 N ATOM 1440 CA LEU A 98 27.734 -22.873 8.444 1.00 1.37 C ATOM 1441 C LEU A 98 28.956 -22.302 9.157 1.00 1.42 C ATOM 1442 O LEU A 98 29.779 -23.044 9.694 1.00 1.54 O ATOM 1443 CB LEU A 98 27.901 -22.759 6.926 1.00 1.31 C ATOM 1444 CG LEU A 98 28.426 -24.020 6.227 1.00 1.61 C ATOM 1445 CD1 LEU A 98 29.695 -24.523 6.901 1.00 2.38 C ATOM 1446 CD2 LEU A 98 27.358 -25.105 6.208 1.00 2.07 C ATOM 0 H LEU A 98 26.018 -21.714 8.112 1.00 1.31 H new ATOM 0 HA LEU A 98 27.644 -23.926 8.711 1.00 1.37 H new ATOM 0 HB2 LEU A 98 26.937 -22.497 6.490 1.00 1.31 H new ATOM 0 HB3 LEU A 98 28.582 -21.935 6.713 1.00 1.31 H new ATOM 0 HG LEU A 98 28.670 -23.763 5.196 1.00 1.61 H new ATOM 0 HD11 LEU A 98 30.049 -25.418 6.389 1.00 2.38 H new ATOM 0 HD12 LEU A 98 30.462 -23.750 6.854 1.00 2.38 H new ATOM 0 HD13 LEU A 98 29.483 -24.762 7.943 1.00 2.38 H new ATOM 0 HD21 LEU A 98 27.749 -25.991 5.708 1.00 2.07 H new ATOM 0 HD22 LEU A 98 27.079 -25.358 7.231 1.00 2.07 H new ATOM 0 HD23 LEU A 98 26.481 -24.743 5.671 1.00 2.07 H new ATOM 1458 N LYS A 99 29.054 -20.976 9.179 1.00 1.38 N ATOM 1459 CA LYS A 99 30.162 -20.302 9.838 1.00 1.47 C ATOM 1460 C LYS A 99 30.237 -20.727 11.298 1.00 1.60 C ATOM 1461 O LYS A 99 31.303 -21.076 11.799 1.00 1.74 O ATOM 1462 CB LYS A 99 30.005 -18.782 9.724 1.00 1.45 C ATOM 1463 CG LYS A 99 31.158 -18.106 8.998 1.00 1.90 C ATOM 1464 CD LYS A 99 31.377 -16.685 9.493 1.00 2.41 C ATOM 1465 CE LYS A 99 32.114 -15.840 8.466 1.00 3.14 C ATOM 1466 NZ LYS A 99 33.290 -15.141 9.055 1.00 4.07 N ATOM 0 H LYS A 99 28.377 -20.348 8.746 1.00 1.38 H new ATOM 0 HA LYS A 99 31.092 -20.587 9.346 1.00 1.47 H new ATOM 0 HB2 LYS A 99 29.075 -18.559 9.200 1.00 1.45 H new ATOM 0 HB3 LYS A 99 29.917 -18.358 10.724 1.00 1.45 H new ATOM 0 HG2 LYS A 99 32.069 -18.686 9.142 1.00 1.90 H new ATOM 0 HG3 LYS A 99 30.955 -18.091 7.927 1.00 1.90 H new ATOM 0 HD2 LYS A 99 30.415 -16.226 9.719 1.00 2.41 H new ATOM 0 HD3 LYS A 99 31.946 -16.707 10.422 1.00 2.41 H new ATOM 0 HE2 LYS A 99 32.445 -16.475 7.644 1.00 3.14 H new ATOM 0 HE3 LYS A 99 31.429 -15.104 8.044 1.00 3.14 H new ATOM 0 HZ1 LYS A 99 33.763 -14.577 8.320 1.00 4.07 H new ATOM 0 HZ2 LYS A 99 32.973 -14.514 9.822 1.00 4.07 H new ATOM 0 HZ3 LYS A 99 33.957 -15.843 9.435 1.00 4.07 H new ATOM 1480 N GLN A 100 29.087 -20.723 11.968 1.00 1.58 N ATOM 1481 CA GLN A 100 29.017 -21.136 13.363 1.00 1.72 C ATOM 1482 C GLN A 100 29.614 -22.532 13.522 1.00 1.81 C ATOM 1483 O GLN A 100 30.533 -22.739 14.315 1.00 1.95 O ATOM 1484 CB GLN A 100 27.561 -21.119 13.847 1.00 1.71 C ATOM 1485 CG GLN A 100 27.370 -21.650 15.264 1.00 1.93 C ATOM 1486 CD GLN A 100 27.443 -23.165 15.353 1.00 2.66 C ATOM 1487 OE1 GLN A 100 26.958 -23.851 14.323 1.00 3.23 O flip ATOM 1488 NE2 GLN A 100 27.930 -23.714 16.340 1.00 3.33 N flip ATOM 0 H GLN A 100 28.194 -20.438 11.566 1.00 1.58 H new ATOM 0 HA GLN A 100 29.592 -20.437 13.970 1.00 1.72 H new ATOM 0 HB2 GLN A 100 27.186 -20.097 13.800 1.00 1.71 H new ATOM 0 HB3 GLN A 100 26.955 -21.713 13.163 1.00 1.71 H new ATOM 0 HG2 GLN A 100 28.132 -21.218 15.912 1.00 1.93 H new ATOM 0 HG3 GLN A 100 26.404 -21.317 15.642 1.00 1.93 H new ATOM 0 HE21 GLN A 100 28.292 -23.151 17.110 1.00 3.33 H new ATOM 0 HE22 GLN A 100 27.972 -24.732 16.388 1.00 3.33 H new ATOM 1497 N LEU A 101 29.088 -23.485 12.754 1.00 1.77 N ATOM 1498 CA LEU A 101 29.571 -24.861 12.798 1.00 1.89 C ATOM 1499 C LEU A 101 31.090 -24.901 12.664 1.00 1.96 C ATOM 1500 O LEU A 101 31.775 -25.565 13.442 1.00 2.12 O ATOM 1501 CB LEU A 101 28.919 -25.690 11.684 1.00 1.86 C ATOM 1502 CG LEU A 101 28.086 -26.883 12.163 1.00 2.09 C ATOM 1503 CD1 LEU A 101 27.161 -27.365 11.055 1.00 2.56 C ATOM 1504 CD2 LEU A 101 28.990 -28.012 12.639 1.00 2.59 C ATOM 0 H LEU A 101 28.327 -23.328 12.094 1.00 1.77 H new ATOM 0 HA LEU A 101 29.297 -25.291 13.762 1.00 1.89 H new ATOM 0 HB2 LEU A 101 28.280 -25.035 11.092 1.00 1.86 H new ATOM 0 HB3 LEU A 101 29.702 -26.057 11.020 1.00 1.86 H new ATOM 0 HG LEU A 101 27.474 -26.560 13.005 1.00 2.09 H new ATOM 0 HD11 LEU A 101 26.577 -28.213 11.412 1.00 2.56 H new ATOM 0 HD12 LEU A 101 26.489 -26.557 10.765 1.00 2.56 H new ATOM 0 HD13 LEU A 101 27.754 -27.670 10.193 1.00 2.56 H new ATOM 0 HD21 LEU A 101 28.379 -28.850 12.975 1.00 2.59 H new ATOM 0 HD22 LEU A 101 29.630 -28.336 11.819 1.00 2.59 H new ATOM 0 HD23 LEU A 101 29.608 -27.660 13.465 1.00 2.59 H new ATOM 1516 N ALA A 102 31.612 -24.179 11.677 1.00 1.86 N ATOM 1517 CA ALA A 102 33.051 -24.122 11.449 1.00 1.95 C ATOM 1518 C ALA A 102 33.775 -23.635 12.701 1.00 2.09 C ATOM 1519 O ALA A 102 34.738 -24.253 13.154 1.00 2.24 O ATOM 1520 CB ALA A 102 33.364 -23.220 10.265 1.00 1.85 C ATOM 0 H ALA A 102 31.059 -23.625 11.022 1.00 1.86 H new ATOM 0 HA ALA A 102 33.404 -25.128 11.221 1.00 1.95 H new ATOM 0 HB1 ALA A 102 34.442 -23.188 10.107 1.00 1.85 H new ATOM 0 HB2 ALA A 102 32.878 -23.611 9.371 1.00 1.85 H new ATOM 0 HB3 ALA A 102 32.996 -22.214 10.467 1.00 1.85 H new ATOM 1526 N ALA A 103 33.298 -22.525 13.259 1.00 2.07 N ATOM 1527 CA ALA A 103 33.890 -21.955 14.464 1.00 2.24 C ATOM 1528 C ALA A 103 33.998 -23.008 15.560 1.00 2.38 C ATOM 1529 O ALA A 103 35.043 -23.152 16.196 1.00 2.56 O ATOM 1530 CB ALA A 103 33.074 -20.763 14.945 1.00 2.21 C ATOM 0 H ALA A 103 32.502 -22.002 12.894 1.00 2.07 H new ATOM 0 HA ALA A 103 34.895 -21.610 14.223 1.00 2.24 H new ATOM 0 HB1 ALA A 103 33.529 -20.350 15.845 1.00 2.21 H new ATOM 0 HB2 ALA A 103 33.051 -20.000 14.167 1.00 2.21 H new ATOM 0 HB3 ALA A 103 32.057 -21.085 15.168 1.00 2.21 H new ATOM 1536 N ALA A 104 32.910 -23.745 15.774 1.00 2.34 N ATOM 1537 CA ALA A 104 32.885 -24.793 16.787 1.00 2.50 C ATOM 1538 C ALA A 104 33.940 -25.852 16.485 1.00 2.58 C ATOM 1539 O ALA A 104 34.670 -26.291 17.374 1.00 2.74 O ATOM 1540 CB ALA A 104 31.501 -25.423 16.862 1.00 2.48 C ATOM 0 H ALA A 104 32.036 -23.635 15.259 1.00 2.34 H new ATOM 0 HA ALA A 104 33.114 -24.347 17.755 1.00 2.50 H new ATOM 0 HB1 ALA A 104 31.497 -26.204 17.623 1.00 2.48 H new ATOM 0 HB2 ALA A 104 30.767 -24.660 17.122 1.00 2.48 H new ATOM 0 HB3 ALA A 104 31.246 -25.857 15.895 1.00 2.48 H new ATOM 1546 N ARG A 105 34.011 -26.256 15.220 1.00 2.50 N ATOM 1547 CA ARG A 105 34.973 -27.263 14.784 1.00 2.60 C ATOM 1548 C ARG A 105 36.402 -26.797 15.034 1.00 2.72 C ATOM 1549 O ARG A 105 37.282 -27.605 15.327 1.00 2.88 O ATOM 1550 CB ARG A 105 34.779 -27.573 13.300 1.00 2.49 C ATOM 1551 CG ARG A 105 33.526 -28.381 13.012 1.00 2.62 C ATOM 1552 CD ARG A 105 33.644 -29.796 13.551 1.00 2.76 C ATOM 1553 NE ARG A 105 32.938 -30.765 12.718 1.00 3.19 N ATOM 1554 CZ ARG A 105 32.802 -32.047 13.036 1.00 3.86 C ATOM 1555 NH1 ARG A 105 33.341 -32.508 14.153 1.00 4.42 N ATOM 1556 NH2 ARG A 105 32.118 -32.861 12.246 1.00 4.39 N ATOM 0 H ARG A 105 33.411 -25.900 14.476 1.00 2.50 H new ATOM 0 HA ARG A 105 34.800 -28.169 15.365 1.00 2.60 H new ATOM 0 HB2 ARG A 105 34.735 -26.637 12.744 1.00 2.49 H new ATOM 0 HB3 ARG A 105 35.648 -28.120 12.934 1.00 2.49 H new ATOM 0 HG2 ARG A 105 32.663 -27.890 13.461 1.00 2.62 H new ATOM 0 HG3 ARG A 105 33.351 -28.413 11.937 1.00 2.62 H new ATOM 0 HD2 ARG A 105 34.697 -30.072 13.614 1.00 2.76 H new ATOM 0 HD3 ARG A 105 33.244 -29.831 14.564 1.00 2.76 H new ATOM 0 HE ARG A 105 32.526 -30.439 11.843 1.00 3.19 H new ATOM 0 HH11 ARG A 105 33.859 -31.879 14.767 1.00 4.42 H new ATOM 0 HH12 ARG A 105 33.238 -33.492 14.400 1.00 4.42 H new ATOM 0 HH21 ARG A 105 31.694 -32.504 11.390 1.00 4.39 H new ATOM 0 HH22 ARG A 105 32.016 -33.845 12.494 1.00 4.39 H new ATOM 1570 N GLY A 106 36.626 -25.493 14.913 1.00 2.67 N ATOM 1571 CA GLY A 106 37.953 -24.943 15.132 1.00 2.83 C ATOM 1572 C GLY A 106 38.332 -24.942 16.599 1.00 3.06 C ATOM 1573 O GLY A 106 39.509 -25.058 16.946 1.00 3.27 O ATOM 0 H GLY A 106 35.913 -24.806 14.667 1.00 2.67 H new ATOM 0 HA2 GLY A 106 38.684 -25.524 14.569 1.00 2.83 H new ATOM 0 HA3 GLY A 106 37.991 -23.924 14.747 1.00 2.83 H new ATOM 1577 N GLN A 107 37.327 -24.808 17.464 1.00 3.06 N ATOM 1578 CA GLN A 107 37.549 -24.790 18.907 1.00 3.32 C ATOM 1579 C GLN A 107 37.898 -26.186 19.420 1.00 3.48 C ATOM 1580 O GLN A 107 38.754 -26.341 20.292 1.00 3.75 O ATOM 1581 CB GLN A 107 36.302 -24.268 19.630 1.00 3.32 C ATOM 1582 CG GLN A 107 36.585 -23.709 21.018 1.00 3.59 C ATOM 1583 CD GLN A 107 35.325 -23.512 21.843 1.00 3.56 C ATOM 1584 OE1 GLN A 107 34.209 -23.600 21.329 1.00 3.65 O ATOM 1585 NE2 GLN A 107 35.498 -23.243 23.132 1.00 4.07 N ATOM 0 H GLN A 107 36.350 -24.710 17.188 1.00 3.06 H new ATOM 0 HA GLN A 107 38.387 -24.124 19.113 1.00 3.32 H new ATOM 0 HB2 GLN A 107 35.840 -23.490 19.022 1.00 3.32 H new ATOM 0 HB3 GLN A 107 35.577 -25.078 19.715 1.00 3.32 H new ATOM 0 HG2 GLN A 107 37.257 -24.385 21.546 1.00 3.59 H new ATOM 0 HG3 GLN A 107 37.103 -22.755 20.921 1.00 3.59 H new ATOM 0 HE21 GLN A 107 36.440 -23.179 23.518 1.00 4.07 H new ATOM 0 HE22 GLN A 107 34.689 -23.101 23.736 1.00 4.07 H new TER 1594 GLN A 107