USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 816 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 86 TYR OH : rot -112:sc= 0.584 USER MOD Set 1.2: A 90 GLN : amide:sc= 0.504 K(o=1.1,f=-0.87) USER MOD Set 2.1: A 29 TYR OH : rot -164:sc= 0.907 USER MOD Set 2.2: A 97 THR OG1 : rot 154:sc= 0.487 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0853 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.104 K(o=-0.1,f=-0.64) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.715 K(o=-0.72,f=-6.7!) USER MOD Single : A 38 SER OG : rot 75:sc= 0.852 USER MOD Single : A 47 ASN : amide:sc= -0.0149 X(o=-0.015,f=-0.015) USER MOD Single : A 53 THR OG1 : rot -43:sc= 1.75 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0383 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.304 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 63 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.0022) USER MOD Single : A 65 GLN : amide:sc=-0.00292 X(o=-0.0029,f=-0.36) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -1.44 K(o=-1.4,f=-4.2!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.317 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.748 USER MOD Single : A 80 ASN : amide:sc= -4.53! C(o=-4.5!,f=-6.1!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -170:sc= -0.139 USER MOD Single : A 89 HIS : no HD1:sc= -0.656 K(o=-0.09,f=-5!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 4.644 -5.332 -13.729 1.00 43.33 N ATOM 64 CA VAL A 7 3.402 -5.309 -14.492 1.00 73.43 C ATOM 65 C VAL A 7 2.353 -4.440 -13.809 1.00 23.04 C ATOM 66 O VAL A 7 1.920 -3.425 -14.355 1.00 21.04 O ATOM 67 CB VAL A 7 2.833 -6.729 -14.681 1.00 33.41 C ATOM 68 CG1 VAL A 7 1.525 -6.681 -15.455 1.00 75.20 C ATOM 69 CG2 VAL A 7 3.846 -7.618 -15.386 1.00 54.25 C ATOM 0 HA VAL A 7 3.639 -4.887 -15.469 1.00 73.43 H new ATOM 0 HB VAL A 7 2.631 -7.155 -13.698 1.00 33.41 H new ATOM 0 HG11 VAL A 7 1.138 -7.692 -15.579 1.00 75.20 H new ATOM 0 HG12 VAL A 7 0.800 -6.080 -14.907 1.00 75.20 H new ATOM 0 HG13 VAL A 7 1.698 -6.236 -16.435 1.00 75.20 H new ATOM 0 HG21 VAL A 7 3.428 -8.617 -15.511 1.00 54.25 H new ATOM 0 HG22 VAL A 7 4.081 -7.197 -16.364 1.00 54.25 H new ATOM 0 HG23 VAL A 7 4.756 -7.678 -14.789 1.00 54.25 H new ATOM 79 N LEU A 8 1.947 -4.844 -12.610 1.00 61.23 N ATOM 80 CA LEU A 8 0.948 -4.102 -11.850 1.00 33.32 C ATOM 81 C LEU A 8 1.547 -3.542 -10.564 1.00 33.05 C ATOM 82 O LEU A 8 2.146 -4.274 -9.776 1.00 35.33 O ATOM 83 CB LEU A 8 -0.243 -5.003 -11.520 1.00 3.33 C ATOM 84 CG LEU A 8 -1.090 -5.458 -12.710 1.00 40.34 C ATOM 85 CD1 LEU A 8 -2.291 -6.261 -12.233 1.00 62.41 C ATOM 86 CD2 LEU A 8 -1.540 -4.261 -13.534 1.00 72.35 C ATOM 0 H LEU A 8 2.295 -5.682 -12.143 1.00 61.23 H new ATOM 0 HA LEU A 8 0.607 -3.268 -12.464 1.00 33.32 H new ATOM 0 HB2 LEU A 8 0.129 -5.888 -11.004 1.00 3.33 H new ATOM 0 HB3 LEU A 8 -0.890 -4.474 -10.820 1.00 3.33 H new ATOM 0 HG LEU A 8 -0.477 -6.099 -13.344 1.00 40.34 H new ATOM 0 HD11 LEU A 8 -2.882 -6.577 -13.093 1.00 62.41 H new ATOM 0 HD12 LEU A 8 -1.948 -7.139 -11.687 1.00 62.41 H new ATOM 0 HD13 LEU A 8 -2.905 -5.643 -11.578 1.00 62.41 H new ATOM 0 HD21 LEU A 8 -2.141 -4.604 -14.376 1.00 72.35 H new ATOM 0 HD22 LEU A 8 -2.136 -3.594 -12.911 1.00 72.35 H new ATOM 0 HD23 LEU A 8 -0.666 -3.726 -13.906 1.00 72.35 H new ATOM 98 N SER A 9 1.380 -2.239 -10.358 1.00 43.11 N ATOM 99 CA SER A 9 1.905 -1.580 -9.168 1.00 70.10 C ATOM 100 C SER A 9 1.057 -1.910 -7.944 1.00 53.21 C ATOM 101 O SER A 9 0.076 -2.647 -8.036 1.00 14.54 O ATOM 102 CB SER A 9 1.951 -0.065 -9.377 1.00 72.43 C ATOM 103 OG SER A 9 0.662 0.508 -9.244 1.00 20.31 O ATOM 0 H SER A 9 0.885 -1.619 -11.000 1.00 43.11 H new ATOM 0 HA SER A 9 2.917 -1.948 -8.996 1.00 70.10 H new ATOM 0 HB2 SER A 9 2.629 0.385 -8.652 1.00 72.43 H new ATOM 0 HB3 SER A 9 2.350 0.157 -10.367 1.00 72.43 H new ATOM 0 HG SER A 9 0.719 1.477 -9.380 1.00 20.31 H new ATOM 109 N GLY A 10 1.443 -1.359 -6.798 1.00 13.35 N ATOM 110 CA GLY A 10 0.708 -1.606 -5.570 1.00 34.31 C ATOM 111 C GLY A 10 -0.778 -1.349 -5.724 1.00 43.52 C ATOM 112 O GLY A 10 -1.601 -2.168 -5.318 1.00 61.35 O ATOM 0 H GLY A 10 2.252 -0.746 -6.697 1.00 13.35 H new ATOM 0 HA2 GLY A 10 0.865 -2.638 -5.257 1.00 34.31 H new ATOM 0 HA3 GLY A 10 1.104 -0.970 -4.779 1.00 34.31 H new ATOM 116 N GLY A 11 -1.123 -0.206 -6.309 1.00 64.25 N ATOM 117 CA GLY A 11 -2.520 0.137 -6.503 1.00 42.35 C ATOM 118 C GLY A 11 -3.226 -0.820 -7.443 1.00 1.21 C ATOM 119 O GLY A 11 -4.296 -1.337 -7.122 1.00 62.12 O ATOM 0 H GLY A 11 -0.460 0.489 -6.652 1.00 64.25 H new ATOM 0 HA2 GLY A 11 -3.029 0.136 -5.539 1.00 42.35 H new ATOM 0 HA3 GLY A 11 -2.591 1.150 -6.900 1.00 42.35 H new ATOM 123 N GLU A 12 -2.629 -1.054 -8.606 1.00 74.03 N ATOM 124 CA GLU A 12 -3.210 -1.953 -9.596 1.00 71.40 C ATOM 125 C GLU A 12 -3.359 -3.363 -9.031 1.00 14.24 C ATOM 126 O GLU A 12 -4.330 -4.062 -9.322 1.00 3.04 O ATOM 127 CB GLU A 12 -2.344 -1.987 -10.858 1.00 21.13 C ATOM 128 CG GLU A 12 -1.938 -0.610 -11.354 1.00 41.14 C ATOM 129 CD GLU A 12 -1.208 -0.661 -12.682 1.00 75.23 C ATOM 130 OE1 GLU A 12 -0.031 -1.081 -12.697 1.00 3.35 O ATOM 131 OE2 GLU A 12 -1.811 -0.280 -13.706 1.00 20.12 O ATOM 0 H GLU A 12 -1.743 -0.634 -8.886 1.00 74.03 H new ATOM 0 HA GLU A 12 -4.200 -1.577 -9.853 1.00 71.40 H new ATOM 0 HB2 GLU A 12 -1.446 -2.571 -10.657 1.00 21.13 H new ATOM 0 HB3 GLU A 12 -2.889 -2.503 -11.649 1.00 21.13 H new ATOM 0 HG2 GLU A 12 -2.827 0.012 -11.456 1.00 41.14 H new ATOM 0 HG3 GLU A 12 -1.299 -0.134 -10.610 1.00 41.14 H new ATOM 138 N LEU A 13 -2.390 -3.774 -8.220 1.00 24.24 N ATOM 139 CA LEU A 13 -2.412 -5.100 -7.613 1.00 35.01 C ATOM 140 C LEU A 13 -3.601 -5.247 -6.668 1.00 31.42 C ATOM 141 O LEU A 13 -4.273 -6.278 -6.655 1.00 61.23 O ATOM 142 CB LEU A 13 -1.109 -5.356 -6.855 1.00 51.55 C ATOM 143 CG LEU A 13 -0.646 -6.813 -6.786 1.00 24.44 C ATOM 144 CD1 LEU A 13 -1.776 -7.708 -6.300 1.00 53.33 C ATOM 145 CD2 LEU A 13 -0.145 -7.276 -8.146 1.00 61.52 C ATOM 0 H LEU A 13 -1.580 -3.208 -7.968 1.00 24.24 H new ATOM 0 HA LEU A 13 -2.512 -5.836 -8.410 1.00 35.01 H new ATOM 0 HB2 LEU A 13 -0.319 -4.767 -7.321 1.00 51.55 H new ATOM 0 HB3 LEU A 13 -1.225 -4.984 -5.837 1.00 51.55 H new ATOM 0 HG LEU A 13 0.177 -6.881 -6.074 1.00 24.44 H new ATOM 0 HD11 LEU A 13 -1.429 -8.741 -6.257 1.00 53.33 H new ATOM 0 HD12 LEU A 13 -2.091 -7.389 -5.306 1.00 53.33 H new ATOM 0 HD13 LEU A 13 -2.618 -7.636 -6.988 1.00 53.33 H new ATOM 0 HD21 LEU A 13 0.181 -8.314 -8.080 1.00 61.52 H new ATOM 0 HD22 LEU A 13 -0.949 -7.194 -8.877 1.00 61.52 H new ATOM 0 HD23 LEU A 13 0.693 -6.652 -8.457 1.00 61.52 H new ATOM 157 N ASP A 14 -3.855 -4.208 -5.880 1.00 21.03 N ATOM 158 CA ASP A 14 -4.966 -4.219 -4.935 1.00 40.43 C ATOM 159 C ASP A 14 -6.283 -4.510 -5.647 1.00 12.32 C ATOM 160 O ASP A 14 -7.033 -5.401 -5.248 1.00 3.31 O ATOM 161 CB ASP A 14 -5.053 -2.879 -4.201 1.00 60.15 C ATOM 162 CG ASP A 14 -5.967 -2.940 -2.993 1.00 73.10 C ATOM 163 OD1 ASP A 14 -6.096 -4.031 -2.400 1.00 61.21 O ATOM 164 OD2 ASP A 14 -6.551 -1.895 -2.640 1.00 3.21 O ATOM 0 H ASP A 14 -3.307 -3.348 -5.877 1.00 21.03 H new ATOM 0 HA ASP A 14 -4.784 -5.011 -4.208 1.00 40.43 H new ATOM 0 HB2 ASP A 14 -4.055 -2.576 -3.883 1.00 60.15 H new ATOM 0 HB3 ASP A 14 -5.414 -2.114 -4.888 1.00 60.15 H new ATOM 169 N LYS A 15 -6.559 -3.752 -6.701 1.00 2.04 N ATOM 170 CA LYS A 15 -7.786 -3.927 -7.470 1.00 13.20 C ATOM 171 C LYS A 15 -7.754 -5.234 -8.255 1.00 14.01 C ATOM 172 O LYS A 15 -8.747 -5.959 -8.312 1.00 23.54 O ATOM 173 CB LYS A 15 -7.985 -2.749 -8.427 1.00 42.12 C ATOM 174 CG LYS A 15 -8.283 -1.437 -7.723 1.00 72.12 C ATOM 175 CD LYS A 15 -9.516 -0.762 -8.299 1.00 55.20 C ATOM 176 CE LYS A 15 -10.235 0.074 -7.251 1.00 50.31 C ATOM 177 NZ LYS A 15 -10.262 1.518 -7.614 1.00 62.50 N ATOM 0 H LYS A 15 -5.949 -3.009 -7.044 1.00 2.04 H new ATOM 0 HA LYS A 15 -8.621 -3.964 -6.771 1.00 13.20 H new ATOM 0 HB2 LYS A 15 -7.088 -2.630 -9.035 1.00 42.12 H new ATOM 0 HB3 LYS A 15 -8.804 -2.980 -9.109 1.00 42.12 H new ATOM 0 HG2 LYS A 15 -8.431 -1.620 -6.659 1.00 72.12 H new ATOM 0 HG3 LYS A 15 -7.426 -0.770 -7.816 1.00 72.12 H new ATOM 0 HD2 LYS A 15 -9.227 -0.127 -9.137 1.00 55.20 H new ATOM 0 HD3 LYS A 15 -10.196 -1.518 -8.692 1.00 55.20 H new ATOM 0 HE2 LYS A 15 -11.256 -0.290 -7.134 1.00 50.31 H new ATOM 0 HE3 LYS A 15 -9.741 -0.049 -6.287 1.00 50.31 H new ATOM 0 HZ1 LYS A 15 -10.761 2.053 -6.874 1.00 62.50 H new ATOM 0 HZ2 LYS A 15 -9.288 1.872 -7.700 1.00 62.50 H new ATOM 0 HZ3 LYS A 15 -10.756 1.639 -8.521 1.00 62.50 H new ATOM 191 N TRP A 16 -6.607 -5.529 -8.857 1.00 2.11 N ATOM 192 CA TRP A 16 -6.447 -6.750 -9.638 1.00 74.33 C ATOM 193 C TRP A 16 -6.872 -7.972 -8.831 1.00 20.21 C ATOM 194 O TRP A 16 -7.656 -8.795 -9.302 1.00 22.41 O ATOM 195 CB TRP A 16 -4.993 -6.904 -10.090 1.00 12.45 C ATOM 196 CG TRP A 16 -4.710 -8.221 -10.744 1.00 45.13 C ATOM 197 CD1 TRP A 16 -4.233 -9.350 -10.140 1.00 63.04 C ATOM 198 CD2 TRP A 16 -4.885 -8.548 -12.127 1.00 3.32 C ATOM 199 NE1 TRP A 16 -4.101 -10.358 -11.064 1.00 34.51 N ATOM 200 CE2 TRP A 16 -4.495 -9.891 -12.290 1.00 65.33 C ATOM 201 CE3 TRP A 16 -5.336 -7.837 -13.242 1.00 54.22 C ATOM 202 CZ2 TRP A 16 -4.541 -10.535 -13.525 1.00 11.32 C ATOM 203 CZ3 TRP A 16 -5.380 -8.476 -14.466 1.00 64.34 C ATOM 204 CH2 TRP A 16 -4.986 -9.814 -14.600 1.00 42.25 C ATOM 0 H TRP A 16 -5.775 -4.940 -8.819 1.00 2.11 H new ATOM 0 HA TRP A 16 -7.088 -6.676 -10.516 1.00 74.33 H new ATOM 0 HB2 TRP A 16 -4.750 -6.101 -10.786 1.00 12.45 H new ATOM 0 HB3 TRP A 16 -4.338 -6.787 -9.227 1.00 12.45 H new ATOM 0 HD1 TRP A 16 -3.995 -9.437 -9.090 1.00 63.04 H new ATOM 0 HE1 TRP A 16 -3.764 -11.301 -10.869 1.00 34.51 H new ATOM 0 HE3 TRP A 16 -5.645 -6.806 -13.149 1.00 54.22 H new ATOM 0 HZ2 TRP A 16 -4.236 -11.566 -13.630 1.00 11.32 H new ATOM 0 HZ3 TRP A 16 -5.724 -7.935 -15.335 1.00 64.34 H new ATOM 0 HH2 TRP A 16 -5.034 -10.286 -15.570 1.00 42.25 H new ATOM 215 N GLU A 17 -6.350 -8.084 -7.613 1.00 15.04 N ATOM 216 CA GLU A 17 -6.677 -9.206 -6.743 1.00 45.40 C ATOM 217 C GLU A 17 -8.171 -9.241 -6.437 1.00 24.42 C ATOM 218 O GLU A 17 -8.733 -10.296 -6.141 1.00 50.14 O ATOM 219 CB GLU A 17 -5.881 -9.118 -5.439 1.00 10.34 C ATOM 220 CG GLU A 17 -4.588 -9.916 -5.459 1.00 20.21 C ATOM 221 CD GLU A 17 -4.222 -10.468 -4.095 1.00 71.52 C ATOM 222 OE1 GLU A 17 -3.613 -9.724 -3.297 1.00 24.40 O ATOM 223 OE2 GLU A 17 -4.544 -11.644 -3.826 1.00 4.21 O ATOM 0 H GLU A 17 -5.699 -7.411 -7.208 1.00 15.04 H new ATOM 0 HA GLU A 17 -6.409 -10.125 -7.264 1.00 45.40 H new ATOM 0 HB2 GLU A 17 -5.650 -8.073 -5.235 1.00 10.34 H new ATOM 0 HB3 GLU A 17 -6.504 -9.473 -4.618 1.00 10.34 H new ATOM 0 HG2 GLU A 17 -4.685 -10.740 -6.166 1.00 20.21 H new ATOM 0 HG3 GLU A 17 -3.779 -9.281 -5.819 1.00 20.21 H new ATOM 230 N LYS A 18 -8.812 -8.079 -6.511 1.00 70.31 N ATOM 231 CA LYS A 18 -10.242 -7.974 -6.244 1.00 35.24 C ATOM 232 C LYS A 18 -11.056 -8.452 -7.443 1.00 53.23 C ATOM 233 O LYS A 18 -12.010 -9.215 -7.291 1.00 71.41 O ATOM 234 CB LYS A 18 -10.613 -6.529 -5.906 1.00 30.44 C ATOM 235 CG LYS A 18 -10.913 -6.306 -4.434 1.00 54.13 C ATOM 236 CD LYS A 18 -12.207 -5.535 -4.239 1.00 51.22 C ATOM 237 CE LYS A 18 -12.359 -5.055 -2.803 1.00 12.31 C ATOM 238 NZ LYS A 18 -13.757 -5.204 -2.313 1.00 71.42 N ATOM 0 H LYS A 18 -8.363 -7.196 -6.754 1.00 70.31 H new ATOM 0 HA LYS A 18 -10.475 -8.612 -5.391 1.00 35.24 H new ATOM 0 HB2 LYS A 18 -9.795 -5.873 -6.205 1.00 30.44 H new ATOM 0 HB3 LYS A 18 -11.484 -6.240 -6.494 1.00 30.44 H new ATOM 0 HG2 LYS A 18 -10.982 -7.268 -3.926 1.00 54.13 H new ATOM 0 HG3 LYS A 18 -10.090 -5.760 -3.973 1.00 54.13 H new ATOM 0 HD2 LYS A 18 -12.227 -4.679 -4.914 1.00 51.22 H new ATOM 0 HD3 LYS A 18 -13.053 -6.169 -4.503 1.00 51.22 H new ATOM 0 HE2 LYS A 18 -11.686 -5.620 -2.158 1.00 12.31 H new ATOM 0 HE3 LYS A 18 -12.060 -4.009 -2.736 1.00 12.31 H new ATOM 0 HZ1 LYS A 18 -13.819 -4.866 -1.331 1.00 71.42 H new ATOM 0 HZ2 LYS A 18 -14.397 -4.644 -2.913 1.00 71.42 H new ATOM 0 HZ3 LYS A 18 -14.034 -6.206 -2.352 1.00 71.42 H new ATOM 252 N ILE A 19 -10.671 -8.002 -8.632 1.00 14.42 N ATOM 253 CA ILE A 19 -11.363 -8.386 -9.855 1.00 63.14 C ATOM 254 C ILE A 19 -11.492 -9.902 -9.960 1.00 2.10 C ATOM 255 O ILE A 19 -10.551 -10.638 -9.663 1.00 35.41 O ATOM 256 CB ILE A 19 -10.635 -7.856 -11.105 1.00 2.22 C ATOM 257 CG1 ILE A 19 -10.519 -6.332 -11.046 1.00 5.42 C ATOM 258 CG2 ILE A 19 -11.367 -8.289 -12.367 1.00 43.00 C ATOM 259 CD1 ILE A 19 -9.464 -5.770 -11.973 1.00 63.13 C ATOM 0 H ILE A 19 -9.883 -7.370 -8.774 1.00 14.42 H new ATOM 0 HA ILE A 19 -12.357 -7.941 -9.808 1.00 63.14 H new ATOM 0 HB ILE A 19 -9.630 -8.277 -11.129 1.00 2.22 H new ATOM 0 HG12 ILE A 19 -11.484 -5.892 -11.298 1.00 5.42 H new ATOM 0 HG13 ILE A 19 -10.289 -6.032 -10.023 1.00 5.42 H new ATOM 0 HG21 ILE A 19 -10.841 -7.907 -13.242 1.00 43.00 H new ATOM 0 HG22 ILE A 19 -11.403 -9.378 -12.412 1.00 43.00 H new ATOM 0 HG23 ILE A 19 -12.382 -7.893 -12.353 1.00 43.00 H new ATOM 0 HD11 ILE A 19 -9.437 -4.684 -11.878 1.00 63.13 H new ATOM 0 HD12 ILE A 19 -8.490 -6.181 -11.708 1.00 63.13 H new ATOM 0 HD13 ILE A 19 -9.703 -6.039 -13.002 1.00 63.13 H new ATOM 271 N ARG A 20 -12.664 -10.363 -10.386 1.00 12.34 N ATOM 272 CA ARG A 20 -12.917 -11.791 -10.531 1.00 61.15 C ATOM 273 C ARG A 20 -12.928 -12.194 -12.003 1.00 50.34 C ATOM 274 O ARG A 20 -13.216 -11.378 -12.879 1.00 74.03 O ATOM 275 CB ARG A 20 -14.249 -12.164 -9.879 1.00 71.35 C ATOM 276 CG ARG A 20 -15.396 -11.246 -10.269 1.00 55.22 C ATOM 277 CD ARG A 20 -15.589 -10.134 -9.249 1.00 42.00 C ATOM 278 NE ARG A 20 -16.634 -9.196 -9.654 1.00 35.51 N ATOM 279 CZ ARG A 20 -17.933 -9.448 -9.537 1.00 13.22 C ATOM 280 NH1 ARG A 20 -18.345 -10.601 -9.029 1.00 33.01 N ATOM 281 NH2 ARG A 20 -18.822 -8.543 -9.928 1.00 42.44 N ATOM 0 H ARG A 20 -13.453 -9.767 -10.637 1.00 12.34 H new ATOM 0 HA ARG A 20 -12.113 -12.330 -10.030 1.00 61.15 H new ATOM 0 HB2 ARG A 20 -14.504 -13.187 -10.154 1.00 71.35 H new ATOM 0 HB3 ARG A 20 -14.132 -12.145 -8.796 1.00 71.35 H new ATOM 0 HG2 ARG A 20 -15.199 -10.812 -11.249 1.00 55.22 H new ATOM 0 HG3 ARG A 20 -16.315 -11.826 -10.355 1.00 55.22 H new ATOM 0 HD2 ARG A 20 -15.846 -10.569 -8.283 1.00 42.00 H new ATOM 0 HD3 ARG A 20 -14.650 -9.596 -9.117 1.00 42.00 H new ATOM 0 HE ARG A 20 -16.350 -8.299 -10.048 1.00 35.51 H new ATOM 0 HH11 ARG A 20 -17.664 -11.298 -8.727 1.00 33.01 H new ATOM 0 HH12 ARG A 20 -19.343 -10.792 -8.940 1.00 33.01 H new ATOM 0 HH21 ARG A 20 -18.508 -7.655 -10.318 1.00 42.44 H new ATOM 0 HH22 ARG A 20 -19.820 -8.736 -9.838 1.00 42.44 H new ATOM 295 N LEU A 21 -12.612 -13.458 -12.268 1.00 14.32 N ATOM 296 CA LEU A 21 -12.585 -13.970 -13.633 1.00 74.21 C ATOM 297 C LEU A 21 -13.984 -13.980 -14.238 1.00 33.11 C ATOM 298 O LEU A 21 -14.195 -13.492 -15.349 1.00 62.02 O ATOM 299 CB LEU A 21 -11.994 -15.381 -13.658 1.00 4.15 C ATOM 300 CG LEU A 21 -10.698 -15.580 -12.872 1.00 4.41 C ATOM 301 CD1 LEU A 21 -10.371 -17.061 -12.751 1.00 52.13 C ATOM 302 CD2 LEU A 21 -9.552 -14.830 -13.535 1.00 44.04 C ATOM 0 H LEU A 21 -12.371 -14.146 -11.555 1.00 14.32 H new ATOM 0 HA LEU A 21 -11.956 -13.310 -14.231 1.00 74.21 H new ATOM 0 HB2 LEU A 21 -12.741 -16.073 -13.269 1.00 4.15 H new ATOM 0 HB3 LEU A 21 -11.812 -15.659 -14.696 1.00 4.15 H new ATOM 0 HG LEU A 21 -10.837 -15.176 -11.869 1.00 4.41 H new ATOM 0 HD11 LEU A 21 -9.445 -17.184 -12.189 1.00 52.13 H new ATOM 0 HD12 LEU A 21 -11.182 -17.571 -12.232 1.00 52.13 H new ATOM 0 HD13 LEU A 21 -10.251 -17.490 -13.746 1.00 52.13 H new ATOM 0 HD21 LEU A 21 -8.637 -14.983 -12.962 1.00 44.04 H new ATOM 0 HD22 LEU A 21 -9.411 -15.203 -14.549 1.00 44.04 H new ATOM 0 HD23 LEU A 21 -9.785 -13.766 -13.569 1.00 44.04 H new ATOM 314 N ARG A 22 -14.938 -14.538 -13.501 1.00 11.41 N ATOM 315 CA ARG A 22 -16.319 -14.611 -13.963 1.00 32.51 C ATOM 316 C ARG A 22 -17.206 -13.645 -13.184 1.00 65.01 C ATOM 317 O ARG A 22 -16.871 -13.207 -12.083 1.00 30.11 O ATOM 318 CB ARG A 22 -16.852 -16.037 -13.823 1.00 23.23 C ATOM 319 CG ARG A 22 -16.870 -16.812 -15.130 1.00 63.52 C ATOM 320 CD ARG A 22 -18.174 -17.573 -15.309 1.00 43.31 C ATOM 321 NE ARG A 22 -18.178 -18.375 -16.529 1.00 23.14 N ATOM 322 CZ ARG A 22 -19.023 -19.377 -16.749 1.00 13.14 C ATOM 323 NH1 ARG A 22 -19.928 -19.696 -15.834 1.00 23.53 N ATOM 324 NH2 ARG A 22 -18.964 -20.059 -17.885 1.00 52.21 N ATOM 0 H ARG A 22 -14.780 -14.947 -12.580 1.00 11.41 H new ATOM 0 HA ARG A 22 -16.338 -14.326 -15.015 1.00 32.51 H new ATOM 0 HB2 ARG A 22 -16.239 -16.575 -13.100 1.00 23.23 H new ATOM 0 HB3 ARG A 22 -17.864 -16.000 -13.419 1.00 23.23 H new ATOM 0 HG2 ARG A 22 -16.732 -16.124 -15.964 1.00 63.52 H new ATOM 0 HG3 ARG A 22 -16.034 -17.511 -15.151 1.00 63.52 H new ATOM 0 HD2 ARG A 22 -18.336 -18.222 -14.448 1.00 43.31 H new ATOM 0 HD3 ARG A 22 -19.004 -16.867 -15.337 1.00 43.31 H new ATOM 0 HE ARG A 22 -17.494 -18.154 -17.253 1.00 23.14 H new ATOM 0 HH11 ARG A 22 -19.976 -19.172 -14.960 1.00 23.53 H new ATOM 0 HH12 ARG A 22 -20.576 -20.465 -16.004 1.00 23.53 H new ATOM 0 HH21 ARG A 22 -18.270 -19.815 -18.591 1.00 52.21 H new ATOM 0 HH22 ARG A 22 -19.613 -20.828 -18.053 1.00 52.21 H new ATOM 338 N PRO A 23 -18.366 -13.304 -13.765 1.00 21.40 N ATOM 339 CA PRO A 23 -19.324 -12.388 -13.143 1.00 5.34 C ATOM 340 C PRO A 23 -20.004 -13.001 -11.923 1.00 31.03 C ATOM 341 O PRO A 23 -20.328 -12.302 -10.964 1.00 13.35 O ATOM 342 CB PRO A 23 -20.348 -12.136 -14.254 1.00 33.10 C ATOM 343 CG PRO A 23 -20.264 -13.341 -15.126 1.00 54.30 C ATOM 344 CD PRO A 23 -18.830 -13.789 -15.076 1.00 33.51 C ATOM 0 HA PRO A 23 -18.841 -11.482 -12.775 1.00 5.34 H new ATOM 0 HB2 PRO A 23 -21.351 -12.011 -13.847 1.00 33.10 H new ATOM 0 HB3 PRO A 23 -20.114 -11.228 -14.810 1.00 33.10 H new ATOM 0 HG2 PRO A 23 -20.931 -14.127 -14.771 1.00 54.30 H new ATOM 0 HG3 PRO A 23 -20.564 -13.105 -16.147 1.00 54.30 H new ATOM 0 HD2 PRO A 23 -18.745 -14.873 -15.157 1.00 33.51 H new ATOM 0 HD3 PRO A 23 -18.247 -13.362 -15.892 1.00 33.51 H new ATOM 352 N GLY A 24 -20.217 -14.313 -11.966 1.00 74.32 N ATOM 353 CA GLY A 24 -20.857 -14.997 -10.858 1.00 54.20 C ATOM 354 C GLY A 24 -20.074 -16.210 -10.397 1.00 63.25 C ATOM 355 O GLY A 24 -20.645 -17.279 -10.175 1.00 35.14 O ATOM 0 H GLY A 24 -19.958 -14.914 -12.748 1.00 74.32 H new ATOM 0 HA2 GLY A 24 -20.972 -14.304 -10.025 1.00 54.20 H new ATOM 0 HA3 GLY A 24 -21.859 -15.306 -11.156 1.00 54.20 H new ATOM 359 N GLY A 25 -18.762 -16.049 -10.255 1.00 2.33 N ATOM 360 CA GLY A 25 -17.921 -17.149 -9.820 1.00 2.54 C ATOM 361 C GLY A 25 -17.362 -16.936 -8.427 1.00 22.13 C ATOM 362 O GLY A 25 -17.786 -16.029 -7.711 1.00 20.23 O ATOM 0 H GLY A 25 -18.266 -15.176 -10.434 1.00 2.33 H new ATOM 0 HA2 GLY A 25 -18.498 -18.073 -9.839 1.00 2.54 H new ATOM 0 HA3 GLY A 25 -17.098 -17.273 -10.523 1.00 2.54 H new ATOM 366 N LYS A 26 -16.408 -17.776 -8.040 1.00 20.15 N ATOM 367 CA LYS A 26 -15.790 -17.678 -6.723 1.00 15.14 C ATOM 368 C LYS A 26 -14.269 -17.740 -6.830 1.00 12.32 C ATOM 369 O LYS A 26 -13.589 -18.177 -5.902 1.00 62.44 O ATOM 370 CB LYS A 26 -16.294 -18.800 -5.815 1.00 13.41 C ATOM 371 CG LYS A 26 -17.699 -18.569 -5.284 1.00 75.43 C ATOM 372 CD LYS A 26 -18.080 -19.609 -4.244 1.00 64.33 C ATOM 373 CE LYS A 26 -19.460 -20.189 -4.515 1.00 22.24 C ATOM 374 NZ LYS A 26 -19.796 -21.290 -3.571 1.00 71.34 N ATOM 0 H LYS A 26 -16.046 -18.533 -8.620 1.00 20.15 H new ATOM 0 HA LYS A 26 -16.068 -16.717 -6.290 1.00 15.14 H new ATOM 0 HB2 LYS A 26 -16.273 -19.740 -6.367 1.00 13.41 H new ATOM 0 HB3 LYS A 26 -15.610 -18.910 -4.973 1.00 13.41 H new ATOM 0 HG2 LYS A 26 -17.764 -17.573 -4.845 1.00 75.43 H new ATOM 0 HG3 LYS A 26 -18.411 -18.601 -6.109 1.00 75.43 H new ATOM 0 HD2 LYS A 26 -17.341 -20.411 -4.242 1.00 64.33 H new ATOM 0 HD3 LYS A 26 -18.063 -19.157 -3.252 1.00 64.33 H new ATOM 0 HE2 LYS A 26 -20.208 -19.400 -4.433 1.00 22.24 H new ATOM 0 HE3 LYS A 26 -19.502 -20.563 -5.538 1.00 22.24 H new ATOM 0 HZ1 LYS A 26 -20.744 -21.658 -3.790 1.00 71.34 H new ATOM 0 HZ2 LYS A 26 -19.098 -22.055 -3.667 1.00 71.34 H new ATOM 0 HZ3 LYS A 26 -19.781 -20.928 -2.596 1.00 71.34 H new ATOM 388 N LYS A 27 -13.743 -17.296 -7.966 1.00 72.34 N ATOM 389 CA LYS A 27 -12.302 -17.299 -8.195 1.00 33.13 C ATOM 390 C LYS A 27 -11.813 -15.911 -8.595 1.00 72.43 C ATOM 391 O LYS A 27 -12.013 -15.476 -9.729 1.00 2.03 O ATOM 392 CB LYS A 27 -11.939 -18.313 -9.281 1.00 71.44 C ATOM 393 CG LYS A 27 -10.550 -18.906 -9.121 1.00 53.53 C ATOM 394 CD LYS A 27 -9.972 -19.343 -10.456 1.00 52.32 C ATOM 395 CE LYS A 27 -9.508 -20.791 -10.415 1.00 31.11 C ATOM 396 NZ LYS A 27 -8.360 -21.032 -11.333 1.00 21.00 N ATOM 0 H LYS A 27 -14.293 -16.929 -8.743 1.00 72.34 H new ATOM 0 HA LYS A 27 -11.812 -17.584 -7.264 1.00 33.13 H new ATOM 0 HB2 LYS A 27 -12.672 -19.120 -9.273 1.00 71.44 H new ATOM 0 HB3 LYS A 27 -12.008 -17.829 -10.255 1.00 71.44 H new ATOM 0 HG2 LYS A 27 -9.890 -18.170 -8.661 1.00 53.53 H new ATOM 0 HG3 LYS A 27 -10.594 -19.760 -8.446 1.00 53.53 H new ATOM 0 HD2 LYS A 27 -10.724 -19.223 -11.236 1.00 52.32 H new ATOM 0 HD3 LYS A 27 -9.133 -18.698 -10.719 1.00 52.32 H new ATOM 0 HE2 LYS A 27 -9.219 -21.051 -9.397 1.00 31.11 H new ATOM 0 HE3 LYS A 27 -10.336 -21.445 -10.689 1.00 31.11 H new ATOM 0 HZ1 LYS A 27 -8.073 -22.030 -11.276 1.00 21.00 H new ATOM 0 HZ2 LYS A 27 -8.643 -20.808 -12.308 1.00 21.00 H new ATOM 0 HZ3 LYS A 27 -7.561 -20.426 -11.056 1.00 21.00 H new ATOM 410 N GLN A 28 -11.168 -15.222 -7.659 1.00 0.14 N ATOM 411 CA GLN A 28 -10.650 -13.884 -7.916 1.00 13.20 C ATOM 412 C GLN A 28 -9.377 -13.945 -8.755 1.00 2.12 C ATOM 413 O GLN A 28 -8.842 -15.024 -9.012 1.00 23.02 O ATOM 414 CB GLN A 28 -10.372 -13.159 -6.598 1.00 61.03 C ATOM 415 CG GLN A 28 -11.600 -13.008 -5.715 1.00 22.53 C ATOM 416 CD GLN A 28 -11.412 -13.623 -4.343 1.00 64.10 C ATOM 417 OE1 GLN A 28 -10.810 -14.688 -4.205 1.00 44.34 O ATOM 418 NE2 GLN A 28 -11.929 -12.955 -3.319 1.00 44.14 N ATOM 0 H GLN A 28 -10.992 -15.569 -6.716 1.00 0.14 H new ATOM 0 HA GLN A 28 -11.405 -13.331 -8.474 1.00 13.20 H new ATOM 0 HB2 GLN A 28 -9.604 -13.704 -6.048 1.00 61.03 H new ATOM 0 HB3 GLN A 28 -9.967 -12.170 -6.815 1.00 61.03 H new ATOM 0 HG2 GLN A 28 -11.836 -11.949 -5.605 1.00 22.53 H new ATOM 0 HG3 GLN A 28 -12.454 -13.476 -6.204 1.00 22.53 H new ATOM 0 HE21 GLN A 28 -12.420 -12.076 -3.480 1.00 44.14 H new ATOM 0 HE22 GLN A 28 -11.835 -13.321 -2.372 1.00 44.14 H new ATOM 427 N TYR A 29 -8.898 -12.782 -9.179 1.00 21.34 N ATOM 428 CA TYR A 29 -7.690 -12.703 -9.991 1.00 34.40 C ATOM 429 C TYR A 29 -6.440 -12.756 -9.117 1.00 2.04 C ATOM 430 O TYR A 29 -6.448 -12.300 -7.973 1.00 31.55 O ATOM 431 CB TYR A 29 -7.691 -11.418 -10.821 1.00 73.35 C ATOM 432 CG TYR A 29 -8.127 -11.623 -12.255 1.00 52.43 C ATOM 433 CD1 TYR A 29 -7.266 -12.183 -13.190 1.00 62.12 C ATOM 434 CD2 TYR A 29 -9.399 -11.255 -12.673 1.00 63.11 C ATOM 435 CE1 TYR A 29 -7.660 -12.372 -14.500 1.00 3.04 C ATOM 436 CE2 TYR A 29 -9.803 -11.441 -13.980 1.00 60.45 C ATOM 437 CZ TYR A 29 -8.930 -11.999 -14.890 1.00 61.52 C ATOM 438 OH TYR A 29 -9.327 -12.185 -16.196 1.00 52.41 O ATOM 0 H TYR A 29 -9.328 -11.880 -8.974 1.00 21.34 H new ATOM 0 HA TYR A 29 -7.678 -13.562 -10.662 1.00 34.40 H new ATOM 0 HB2 TYR A 29 -8.353 -10.691 -10.349 1.00 73.35 H new ATOM 0 HB3 TYR A 29 -6.689 -10.989 -10.813 1.00 73.35 H new ATOM 0 HD1 TYR A 29 -6.271 -12.476 -12.887 1.00 62.12 H new ATOM 0 HD2 TYR A 29 -10.084 -10.816 -11.963 1.00 63.11 H new ATOM 0 HE1 TYR A 29 -6.978 -12.809 -15.215 1.00 3.04 H new ATOM 0 HE2 TYR A 29 -10.797 -11.151 -14.288 1.00 60.45 H new ATOM 0 HH TYR A 29 -10.130 -11.652 -16.373 1.00 52.41 H new ATOM 448 N LYS A 30 -5.367 -13.317 -9.663 1.00 31.53 N ATOM 449 CA LYS A 30 -4.109 -13.429 -8.936 1.00 42.04 C ATOM 450 C LYS A 30 -2.920 -13.336 -9.888 1.00 5.52 C ATOM 451 O LYS A 30 -3.075 -13.456 -11.104 1.00 42.12 O ATOM 452 CB LYS A 30 -4.057 -14.752 -8.167 1.00 50.14 C ATOM 453 CG LYS A 30 -4.311 -14.600 -6.678 1.00 44.22 C ATOM 454 CD LYS A 30 -3.927 -15.857 -5.915 1.00 4.01 C ATOM 455 CE LYS A 30 -4.879 -16.120 -4.758 1.00 24.24 C ATOM 456 NZ LYS A 30 -4.612 -15.220 -3.604 1.00 53.42 N ATOM 0 H LYS A 30 -5.344 -13.701 -10.607 1.00 31.53 H new ATOM 0 HA LYS A 30 -4.052 -12.601 -8.229 1.00 42.04 H new ATOM 0 HB2 LYS A 30 -4.796 -15.435 -8.585 1.00 50.14 H new ATOM 0 HB3 LYS A 30 -3.079 -15.211 -8.315 1.00 50.14 H new ATOM 0 HG2 LYS A 30 -3.741 -13.753 -6.296 1.00 44.22 H new ATOM 0 HG3 LYS A 30 -5.365 -14.378 -6.509 1.00 44.22 H new ATOM 0 HD2 LYS A 30 -3.932 -16.711 -6.593 1.00 4.01 H new ATOM 0 HD3 LYS A 30 -2.910 -15.757 -5.535 1.00 4.01 H new ATOM 0 HE2 LYS A 30 -5.906 -15.983 -5.095 1.00 24.24 H new ATOM 0 HE3 LYS A 30 -4.784 -17.158 -4.439 1.00 24.24 H new ATOM 0 HZ1 LYS A 30 -5.282 -15.431 -2.837 1.00 53.42 H new ATOM 0 HZ2 LYS A 30 -3.640 -15.368 -3.266 1.00 53.42 H new ATOM 0 HZ3 LYS A 30 -4.728 -14.230 -3.902 1.00 53.42 H new ATOM 470 N LEU A 31 -1.735 -13.121 -9.328 1.00 51.21 N ATOM 471 CA LEU A 31 -0.520 -13.013 -10.126 1.00 73.51 C ATOM 472 C LEU A 31 -0.377 -14.205 -11.067 1.00 42.30 C ATOM 473 O LEU A 31 0.193 -14.090 -12.151 1.00 62.43 O ATOM 474 CB LEU A 31 0.707 -12.918 -9.216 1.00 23.12 C ATOM 475 CG LEU A 31 1.829 -11.999 -9.697 1.00 75.25 C ATOM 476 CD1 LEU A 31 1.465 -10.541 -9.464 1.00 1.41 C ATOM 477 CD2 LEU A 31 3.136 -12.343 -8.996 1.00 12.23 C ATOM 0 H LEU A 31 -1.590 -13.018 -8.324 1.00 51.21 H new ATOM 0 HA LEU A 31 -0.591 -12.106 -10.726 1.00 73.51 H new ATOM 0 HB2 LEU A 31 0.380 -12.576 -8.234 1.00 23.12 H new ATOM 0 HB3 LEU A 31 1.116 -13.920 -9.085 1.00 23.12 H new ATOM 0 HG LEU A 31 1.962 -12.151 -10.768 1.00 75.25 H new ATOM 0 HD11 LEU A 31 2.277 -9.903 -9.813 1.00 1.41 H new ATOM 0 HD12 LEU A 31 0.554 -10.301 -10.012 1.00 1.41 H new ATOM 0 HD13 LEU A 31 1.303 -10.372 -8.399 1.00 1.41 H new ATOM 0 HD21 LEU A 31 3.925 -11.679 -9.350 1.00 12.23 H new ATOM 0 HD22 LEU A 31 3.015 -12.221 -7.920 1.00 12.23 H new ATOM 0 HD23 LEU A 31 3.406 -13.376 -9.216 1.00 12.23 H new ATOM 489 N LYS A 32 -0.902 -15.351 -10.645 1.00 4.51 N ATOM 490 CA LYS A 32 -0.839 -16.566 -11.449 1.00 33.55 C ATOM 491 C LYS A 32 -1.355 -16.310 -12.861 1.00 50.21 C ATOM 492 O LYS A 32 -0.830 -16.855 -13.833 1.00 43.20 O ATOM 493 CB LYS A 32 -1.653 -17.682 -10.791 1.00 14.24 C ATOM 494 CG LYS A 32 -0.875 -18.468 -9.749 1.00 70.35 C ATOM 495 CD LYS A 32 -1.518 -19.818 -9.476 1.00 32.12 C ATOM 496 CE LYS A 32 -2.900 -19.661 -8.860 1.00 62.23 C ATOM 497 NZ LYS A 32 -3.964 -20.228 -9.736 1.00 10.14 N ATOM 0 H LYS A 32 -1.377 -15.463 -9.749 1.00 4.51 H new ATOM 0 HA LYS A 32 0.204 -16.876 -11.512 1.00 33.55 H new ATOM 0 HB2 LYS A 32 -2.536 -17.248 -10.322 1.00 14.24 H new ATOM 0 HB3 LYS A 32 -2.005 -18.367 -11.562 1.00 14.24 H new ATOM 0 HG2 LYS A 32 0.149 -18.614 -10.092 1.00 70.35 H new ATOM 0 HG3 LYS A 32 -0.823 -17.895 -8.823 1.00 70.35 H new ATOM 0 HD2 LYS A 32 -1.595 -20.381 -10.406 1.00 32.12 H new ATOM 0 HD3 LYS A 32 -0.883 -20.396 -8.805 1.00 32.12 H new ATOM 0 HE2 LYS A 32 -2.924 -20.158 -7.890 1.00 62.23 H new ATOM 0 HE3 LYS A 32 -3.101 -18.605 -8.682 1.00 62.23 H new ATOM 0 HZ1 LYS A 32 -4.891 -20.102 -9.282 1.00 10.14 H new ATOM 0 HZ2 LYS A 32 -3.958 -19.737 -10.653 1.00 10.14 H new ATOM 0 HZ3 LYS A 32 -3.787 -21.242 -9.886 1.00 10.14 H new ATOM 511 N HIS A 33 -2.385 -15.477 -12.968 1.00 44.01 N ATOM 512 CA HIS A 33 -2.972 -15.147 -14.263 1.00 63.23 C ATOM 513 C HIS A 33 -2.103 -14.140 -15.011 1.00 65.11 C ATOM 514 O HIS A 33 -2.065 -14.229 -16.238 1.00 21.44 O ATOM 515 CB HIS A 33 -4.382 -14.585 -14.079 1.00 21.52 C ATOM 516 CG HIS A 33 -5.233 -15.393 -13.147 1.00 55.34 C ATOM 517 ND1 HIS A 33 -5.961 -14.834 -12.119 1.00 51.34 N ATOM 518 CD2 HIS A 33 -5.469 -16.724 -13.093 1.00 51.34 C ATOM 519 CE1 HIS A 33 -6.607 -15.787 -11.471 1.00 72.15 C ATOM 520 NE2 HIS A 33 -6.326 -16.944 -12.044 1.00 13.11 N ATOM 0 H HIS A 33 -2.831 -15.018 -12.174 1.00 44.01 H new ATOM 0 HA HIS A 33 -3.028 -16.061 -14.853 1.00 63.23 H new ATOM 0 HB2 HIS A 33 -4.311 -13.565 -13.701 1.00 21.52 H new ATOM 0 HB3 HIS A 33 -4.872 -14.531 -15.051 1.00 21.52 H new ATOM 0 HD2 HIS A 33 -5.059 -17.474 -13.753 1.00 51.34 H new ATOM 0 HE1 HIS A 33 -7.254 -15.645 -10.618 1.00 72.15 H new ATOM 0 HE2 HIS A 33 -6.687 -17.853 -11.754 1.00 13.11 H new ATOM 528 N ILE A 34 -1.430 -13.219 -14.330 1.00 1.14 N ATOM 529 CA ILE A 34 -0.588 -12.238 -15.002 1.00 35.05 C ATOM 530 C ILE A 34 0.641 -12.897 -15.617 1.00 53.11 C ATOM 531 O ILE A 34 1.085 -12.519 -16.702 1.00 4.24 O ATOM 532 CB ILE A 34 -0.132 -11.130 -14.033 1.00 62.11 C ATOM 533 CG1 ILE A 34 -1.345 -10.442 -13.403 1.00 72.30 C ATOM 534 CG2 ILE A 34 0.740 -10.117 -14.759 1.00 72.31 C ATOM 535 CD1 ILE A 34 -1.003 -9.612 -12.186 1.00 4.24 C ATOM 0 H ILE A 34 -1.452 -13.132 -13.314 1.00 1.14 H new ATOM 0 HA ILE A 34 -1.192 -11.793 -15.793 1.00 35.05 H new ATOM 0 HB ILE A 34 0.458 -11.584 -13.237 1.00 62.11 H new ATOM 0 HG12 ILE A 34 -1.818 -9.802 -14.148 1.00 72.30 H new ATOM 0 HG13 ILE A 34 -2.077 -11.199 -13.123 1.00 72.30 H new ATOM 0 HG21 ILE A 34 1.054 -9.341 -14.061 1.00 72.31 H new ATOM 0 HG22 ILE A 34 1.619 -10.618 -15.164 1.00 72.31 H new ATOM 0 HG23 ILE A 34 0.173 -9.665 -15.573 1.00 72.31 H new ATOM 0 HD11 ILE A 34 -1.910 -9.154 -11.792 1.00 4.24 H new ATOM 0 HD12 ILE A 34 -0.558 -10.251 -11.423 1.00 4.24 H new ATOM 0 HD13 ILE A 34 -0.294 -8.832 -12.465 1.00 4.24 H new ATOM 547 N VAL A 35 1.187 -13.886 -14.918 1.00 62.54 N ATOM 548 CA VAL A 35 2.364 -14.602 -15.396 1.00 74.32 C ATOM 549 C VAL A 35 1.986 -15.641 -16.447 1.00 15.13 C ATOM 550 O VAL A 35 2.715 -15.850 -17.416 1.00 21.42 O ATOM 551 CB VAL A 35 3.104 -15.302 -14.241 1.00 31.42 C ATOM 552 CG1 VAL A 35 4.309 -16.069 -14.765 1.00 4.34 C ATOM 553 CG2 VAL A 35 3.525 -14.288 -13.187 1.00 3.35 C ATOM 0 H VAL A 35 0.833 -14.210 -14.018 1.00 62.54 H new ATOM 0 HA VAL A 35 3.025 -13.860 -15.844 1.00 74.32 H new ATOM 0 HB VAL A 35 2.424 -16.015 -13.776 1.00 31.42 H new ATOM 0 HG11 VAL A 35 4.819 -16.557 -13.934 1.00 4.34 H new ATOM 0 HG12 VAL A 35 3.978 -16.822 -15.480 1.00 4.34 H new ATOM 0 HG13 VAL A 35 4.994 -15.378 -15.256 1.00 4.34 H new ATOM 0 HG21 VAL A 35 4.047 -14.799 -12.378 1.00 3.35 H new ATOM 0 HG22 VAL A 35 4.189 -13.550 -13.637 1.00 3.35 H new ATOM 0 HG23 VAL A 35 2.642 -13.788 -12.790 1.00 3.35 H new ATOM 563 N TRP A 36 0.845 -16.288 -16.245 1.00 22.55 N ATOM 564 CA TRP A 36 0.369 -17.306 -17.177 1.00 14.43 C ATOM 565 C TRP A 36 0.260 -16.743 -18.589 1.00 62.14 C ATOM 566 O TRP A 36 0.489 -17.453 -19.568 1.00 34.54 O ATOM 567 CB TRP A 36 -0.988 -17.847 -16.723 1.00 33.40 C ATOM 568 CG TRP A 36 -1.622 -18.770 -17.719 1.00 54.22 C ATOM 569 CD1 TRP A 36 -1.622 -20.135 -17.686 1.00 1.12 C ATOM 570 CD2 TRP A 36 -2.346 -18.394 -18.895 1.00 61.31 C ATOM 571 NE1 TRP A 36 -2.304 -20.631 -18.772 1.00 75.25 N ATOM 572 CE2 TRP A 36 -2.758 -19.583 -19.528 1.00 44.04 C ATOM 573 CE3 TRP A 36 -2.690 -17.170 -19.475 1.00 54.30 C ATOM 574 CZ2 TRP A 36 -3.493 -19.581 -20.711 1.00 41.52 C ATOM 575 CZ3 TRP A 36 -3.418 -17.169 -20.649 1.00 64.23 C ATOM 576 CH2 TRP A 36 -3.815 -18.368 -21.256 1.00 30.43 C ATOM 0 H TRP A 36 0.232 -16.127 -15.446 1.00 22.55 H new ATOM 0 HA TRP A 36 1.092 -18.121 -17.187 1.00 14.43 H new ATOM 0 HB2 TRP A 36 -0.863 -18.375 -15.777 1.00 33.40 H new ATOM 0 HB3 TRP A 36 -1.660 -17.010 -16.534 1.00 33.40 H new ATOM 0 HD1 TRP A 36 -1.155 -20.736 -16.920 1.00 1.12 H new ATOM 0 HE1 TRP A 36 -2.448 -21.619 -18.981 1.00 75.25 H new ATOM 0 HE3 TRP A 36 -2.392 -16.240 -19.013 1.00 54.30 H new ATOM 0 HZ2 TRP A 36 -3.798 -20.504 -21.181 1.00 41.52 H new ATOM 0 HZ3 TRP A 36 -3.686 -16.228 -21.107 1.00 64.23 H new ATOM 0 HH2 TRP A 36 -4.386 -18.334 -22.172 1.00 30.43 H new ATOM 587 N ALA A 37 -0.091 -15.465 -18.687 1.00 1.12 N ATOM 588 CA ALA A 37 -0.228 -14.807 -19.981 1.00 41.12 C ATOM 589 C ALA A 37 1.126 -14.344 -20.507 1.00 71.23 C ATOM 590 O ALA A 37 1.346 -14.286 -21.717 1.00 31.22 O ATOM 591 CB ALA A 37 -1.187 -13.631 -19.876 1.00 52.23 C ATOM 0 H ALA A 37 -0.286 -14.865 -17.886 1.00 1.12 H new ATOM 0 HA ALA A 37 -0.634 -15.530 -20.688 1.00 41.12 H new ATOM 0 HB1 ALA A 37 -1.280 -13.149 -20.849 1.00 52.23 H new ATOM 0 HB2 ALA A 37 -2.165 -13.987 -19.553 1.00 52.23 H new ATOM 0 HB3 ALA A 37 -0.804 -12.913 -19.151 1.00 52.23 H new ATOM 597 N SER A 38 2.030 -14.013 -19.590 1.00 61.24 N ATOM 598 CA SER A 38 3.362 -13.550 -19.963 1.00 60.31 C ATOM 599 C SER A 38 4.152 -14.662 -20.647 1.00 13.02 C ATOM 600 O SER A 38 4.844 -14.427 -21.638 1.00 34.42 O ATOM 601 CB SER A 38 4.117 -13.057 -18.727 1.00 73.44 C ATOM 602 OG SER A 38 3.337 -12.136 -17.986 1.00 60.04 O ATOM 0 H SER A 38 1.865 -14.057 -18.584 1.00 61.24 H new ATOM 0 HA SER A 38 3.250 -12.724 -20.665 1.00 60.31 H new ATOM 0 HB2 SER A 38 4.380 -13.906 -18.096 1.00 73.44 H new ATOM 0 HB3 SER A 38 5.051 -12.585 -19.032 1.00 73.44 H new ATOM 0 HG SER A 38 2.638 -12.618 -17.498 1.00 60.04 H new ATOM 608 N ARG A 39 4.045 -15.872 -20.110 1.00 1.01 N ATOM 609 CA ARG A 39 4.750 -17.020 -20.667 1.00 44.53 C ATOM 610 C ARG A 39 4.107 -17.471 -21.975 1.00 73.20 C ATOM 611 O ARG A 39 4.772 -18.040 -22.840 1.00 75.34 O ATOM 612 CB ARG A 39 4.756 -18.177 -19.665 1.00 4.31 C ATOM 613 CG ARG A 39 6.027 -18.258 -18.836 1.00 43.43 C ATOM 614 CD ARG A 39 5.929 -19.338 -17.769 1.00 64.30 C ATOM 615 NE ARG A 39 6.376 -20.637 -18.263 1.00 61.44 N ATOM 616 CZ ARG A 39 6.455 -21.725 -17.505 1.00 5.44 C ATOM 617 NH1 ARG A 39 6.117 -21.669 -16.224 1.00 64.10 N ATOM 618 NH2 ARG A 39 6.871 -22.871 -18.028 1.00 54.33 N ATOM 0 H ARG A 39 3.477 -16.083 -19.290 1.00 1.01 H new ATOM 0 HA ARG A 39 5.777 -16.719 -20.872 1.00 44.53 H new ATOM 0 HB2 ARG A 39 3.902 -18.071 -18.996 1.00 4.31 H new ATOM 0 HB3 ARG A 39 4.624 -19.115 -20.205 1.00 4.31 H new ATOM 0 HG2 ARG A 39 6.875 -18.465 -19.488 1.00 43.43 H new ATOM 0 HG3 ARG A 39 6.216 -17.294 -18.363 1.00 43.43 H new ATOM 0 HD2 ARG A 39 6.531 -19.051 -16.907 1.00 64.30 H new ATOM 0 HD3 ARG A 39 4.897 -19.416 -17.426 1.00 64.30 H new ATOM 0 HE ARG A 39 6.642 -20.713 -19.245 1.00 61.44 H new ATOM 0 HH11 ARG A 39 5.796 -20.790 -15.819 1.00 64.10 H new ATOM 0 HH12 ARG A 39 6.178 -22.505 -15.643 1.00 64.10 H new ATOM 0 HH21 ARG A 39 7.131 -22.917 -19.013 1.00 54.33 H new ATOM 0 HH22 ARG A 39 6.931 -23.706 -17.445 1.00 54.33 H new ATOM 632 N GLU A 40 2.811 -17.211 -22.112 1.00 0.01 N ATOM 633 CA GLU A 40 2.079 -17.591 -23.316 1.00 43.52 C ATOM 634 C GLU A 40 2.246 -16.539 -24.409 1.00 41.10 C ATOM 635 O GLU A 40 2.144 -16.842 -25.598 1.00 22.03 O ATOM 636 CB GLU A 40 0.594 -17.782 -22.997 1.00 35.23 C ATOM 637 CG GLU A 40 -0.098 -18.787 -23.903 1.00 15.35 C ATOM 638 CD GLU A 40 0.284 -20.219 -23.583 1.00 2.14 C ATOM 639 OE1 GLU A 40 0.492 -20.524 -22.391 1.00 54.52 O ATOM 640 OE2 GLU A 40 0.375 -21.034 -24.525 1.00 10.03 O ATOM 0 H GLU A 40 2.246 -16.739 -21.406 1.00 0.01 H new ATOM 0 HA GLU A 40 2.489 -18.534 -23.678 1.00 43.52 H new ATOM 0 HB2 GLU A 40 0.492 -18.108 -21.962 1.00 35.23 H new ATOM 0 HB3 GLU A 40 0.087 -16.821 -23.080 1.00 35.23 H new ATOM 0 HG2 GLU A 40 -1.178 -18.673 -23.808 1.00 15.35 H new ATOM 0 HG3 GLU A 40 0.156 -18.570 -24.941 1.00 15.35 H new ATOM 647 N LEU A 41 2.503 -15.303 -23.997 1.00 13.35 N ATOM 648 CA LEU A 41 2.683 -14.205 -24.941 1.00 55.51 C ATOM 649 C LEU A 41 3.991 -14.359 -25.712 1.00 52.52 C ATOM 650 O LEU A 41 4.015 -14.253 -26.937 1.00 42.12 O ATOM 651 CB LEU A 41 2.668 -12.864 -24.202 1.00 61.02 C ATOM 652 CG LEU A 41 1.319 -12.146 -24.143 1.00 65.55 C ATOM 653 CD1 LEU A 41 1.434 -10.862 -23.338 1.00 14.23 C ATOM 654 CD2 LEU A 41 0.808 -11.855 -25.546 1.00 62.12 C ATOM 0 H LEU A 41 2.591 -15.036 -23.017 1.00 13.35 H new ATOM 0 HA LEU A 41 1.858 -14.231 -25.653 1.00 55.51 H new ATOM 0 HB2 LEU A 41 3.014 -13.030 -23.182 1.00 61.02 H new ATOM 0 HB3 LEU A 41 3.390 -12.201 -24.679 1.00 61.02 H new ATOM 0 HG LEU A 41 0.602 -12.799 -23.646 1.00 65.55 H new ATOM 0 HD11 LEU A 41 0.465 -10.364 -23.307 1.00 14.23 H new ATOM 0 HD12 LEU A 41 1.755 -11.096 -22.323 1.00 14.23 H new ATOM 0 HD13 LEU A 41 2.165 -10.203 -23.806 1.00 14.23 H new ATOM 0 HD21 LEU A 41 -0.153 -11.344 -25.485 1.00 62.12 H new ATOM 0 HD22 LEU A 41 1.523 -11.221 -26.070 1.00 62.12 H new ATOM 0 HD23 LEU A 41 0.687 -12.791 -26.091 1.00 62.12 H new ATOM 666 N GLU A 42 5.075 -14.611 -24.984 1.00 3.45 N ATOM 667 CA GLU A 42 6.385 -14.780 -25.600 1.00 13.00 C ATOM 668 C GLU A 42 6.351 -15.881 -26.657 1.00 15.11 C ATOM 669 O GLU A 42 7.149 -15.881 -27.594 1.00 72.14 O ATOM 670 CB GLU A 42 7.435 -15.112 -24.538 1.00 3.52 C ATOM 671 CG GLU A 42 8.780 -15.518 -25.115 1.00 65.34 C ATOM 672 CD GLU A 42 9.860 -15.632 -24.057 1.00 3.31 C ATOM 673 OE1 GLU A 42 9.560 -16.137 -22.955 1.00 34.25 O ATOM 674 OE2 GLU A 42 11.004 -15.215 -24.332 1.00 72.11 O ATOM 0 H GLU A 42 5.071 -14.702 -23.968 1.00 3.45 H new ATOM 0 HA GLU A 42 6.653 -13.841 -26.085 1.00 13.00 H new ATOM 0 HB2 GLU A 42 7.573 -14.244 -23.893 1.00 3.52 H new ATOM 0 HB3 GLU A 42 7.060 -15.920 -23.910 1.00 3.52 H new ATOM 0 HG2 GLU A 42 8.677 -16.474 -25.628 1.00 65.34 H new ATOM 0 HG3 GLU A 42 9.086 -14.786 -25.863 1.00 65.34 H new ATOM 681 N ARG A 43 5.420 -16.817 -26.499 1.00 13.34 N ATOM 682 CA ARG A 43 5.282 -17.923 -27.437 1.00 53.34 C ATOM 683 C ARG A 43 4.682 -17.446 -28.756 1.00 24.01 C ATOM 684 O ARG A 43 4.911 -18.044 -29.807 1.00 74.05 O ATOM 685 CB ARG A 43 4.407 -19.024 -26.835 1.00 52.10 C ATOM 686 CG ARG A 43 5.027 -20.409 -26.918 1.00 62.42 C ATOM 687 CD ARG A 43 4.167 -21.356 -27.741 1.00 20.23 C ATOM 688 NE ARG A 43 4.791 -22.667 -27.897 1.00 43.24 N ATOM 689 CZ ARG A 43 4.127 -23.760 -28.255 1.00 4.53 C ATOM 690 NH1 ARG A 43 2.823 -23.698 -28.493 1.00 52.02 N ATOM 691 NH2 ARG A 43 4.764 -24.916 -28.375 1.00 64.12 N ATOM 0 H ARG A 43 4.750 -16.830 -25.730 1.00 13.34 H new ATOM 0 HA ARG A 43 6.276 -18.325 -27.634 1.00 53.34 H new ATOM 0 HB2 ARG A 43 4.207 -18.787 -25.790 1.00 52.10 H new ATOM 0 HB3 ARG A 43 3.446 -19.034 -27.349 1.00 52.10 H new ATOM 0 HG2 ARG A 43 6.020 -20.338 -27.362 1.00 62.42 H new ATOM 0 HG3 ARG A 43 5.155 -20.812 -25.913 1.00 62.42 H new ATOM 0 HD2 ARG A 43 3.195 -21.472 -27.262 1.00 20.23 H new ATOM 0 HD3 ARG A 43 3.988 -20.921 -28.724 1.00 20.23 H new ATOM 0 HE ARG A 43 5.792 -22.748 -27.721 1.00 43.24 H new ATOM 0 HH11 ARG A 43 2.329 -22.810 -28.401 1.00 52.02 H new ATOM 0 HH12 ARG A 43 2.314 -24.538 -28.768 1.00 52.02 H new ATOM 0 HH21 ARG A 43 5.766 -24.967 -28.192 1.00 64.12 H new ATOM 0 HH22 ARG A 43 4.252 -25.754 -28.650 1.00 64.12 H new ATOM 705 N PHE A 44 3.912 -16.365 -28.693 1.00 2.02 N ATOM 706 CA PHE A 44 3.277 -15.808 -29.882 1.00 3.40 C ATOM 707 C PHE A 44 4.113 -14.672 -30.463 1.00 14.25 C ATOM 708 O PHE A 44 3.583 -13.757 -31.095 1.00 52.22 O ATOM 709 CB PHE A 44 1.872 -15.303 -29.547 1.00 15.23 C ATOM 710 CG PHE A 44 0.913 -16.399 -29.176 1.00 31.44 C ATOM 711 CD1 PHE A 44 0.685 -17.458 -30.039 1.00 73.32 C ATOM 712 CD2 PHE A 44 0.240 -16.368 -27.966 1.00 22.24 C ATOM 713 CE1 PHE A 44 -0.195 -18.468 -29.702 1.00 25.32 C ATOM 714 CE2 PHE A 44 -0.643 -17.376 -27.623 1.00 34.40 C ATOM 715 CZ PHE A 44 -0.862 -18.426 -28.492 1.00 62.42 C ATOM 0 H PHE A 44 3.712 -15.857 -27.831 1.00 2.02 H new ATOM 0 HA PHE A 44 3.203 -16.599 -30.628 1.00 3.40 H new ATOM 0 HB2 PHE A 44 1.937 -14.593 -28.722 1.00 15.23 H new ATOM 0 HB3 PHE A 44 1.476 -14.760 -30.405 1.00 15.23 H new ATOM 0 HD1 PHE A 44 1.201 -17.495 -30.987 1.00 73.32 H new ATOM 0 HD2 PHE A 44 0.406 -15.548 -27.283 1.00 22.24 H new ATOM 0 HE1 PHE A 44 -0.362 -19.289 -30.383 1.00 25.32 H new ATOM 0 HE2 PHE A 44 -1.161 -17.342 -26.676 1.00 34.40 H new ATOM 0 HZ PHE A 44 -1.553 -19.213 -28.227 1.00 62.42 H new ATOM 725 N ALA A 45 5.422 -14.736 -30.244 1.00 62.02 N ATOM 726 CA ALA A 45 6.332 -13.715 -30.747 1.00 0.30 C ATOM 727 C ALA A 45 6.045 -12.360 -30.108 1.00 44.32 C ATOM 728 O ALA A 45 6.417 -11.318 -30.644 1.00 35.53 O ATOM 729 CB ALA A 45 6.231 -13.618 -32.262 1.00 14.20 C ATOM 0 H ALA A 45 5.876 -15.485 -29.721 1.00 62.02 H new ATOM 0 HA ALA A 45 7.348 -14.006 -30.479 1.00 0.30 H new ATOM 0 HB1 ALA A 45 6.916 -12.851 -32.624 1.00 14.20 H new ATOM 0 HB2 ALA A 45 6.493 -14.578 -32.706 1.00 14.20 H new ATOM 0 HB3 ALA A 45 5.211 -13.355 -32.543 1.00 14.20 H new ATOM 735 N VAL A 46 5.377 -12.384 -28.957 1.00 73.31 N ATOM 736 CA VAL A 46 5.040 -11.158 -28.245 1.00 42.04 C ATOM 737 C VAL A 46 5.690 -11.128 -26.866 1.00 34.44 C ATOM 738 O VAL A 46 5.370 -11.940 -25.999 1.00 35.13 O ATOM 739 CB VAL A 46 3.516 -11.003 -28.084 1.00 22.24 C ATOM 740 CG1 VAL A 46 3.186 -9.740 -27.304 1.00 53.40 C ATOM 741 CG2 VAL A 46 2.837 -10.991 -29.446 1.00 31.23 C ATOM 0 H VAL A 46 5.060 -13.239 -28.500 1.00 73.31 H new ATOM 0 HA VAL A 46 5.421 -10.330 -28.843 1.00 42.04 H new ATOM 0 HB VAL A 46 3.139 -11.857 -27.521 1.00 22.24 H new ATOM 0 HG11 VAL A 46 2.105 -9.648 -27.201 1.00 53.40 H new ATOM 0 HG12 VAL A 46 3.642 -9.793 -26.315 1.00 53.40 H new ATOM 0 HG13 VAL A 46 3.575 -8.872 -27.836 1.00 53.40 H new ATOM 0 HG21 VAL A 46 1.761 -10.881 -29.315 1.00 31.23 H new ATOM 0 HG22 VAL A 46 3.218 -10.157 -30.035 1.00 31.23 H new ATOM 0 HG23 VAL A 46 3.045 -11.927 -29.965 1.00 31.23 H new ATOM 751 N ASN A 47 6.605 -10.183 -26.670 1.00 64.22 N ATOM 752 CA ASN A 47 7.302 -10.046 -25.396 1.00 23.12 C ATOM 753 C ASN A 47 6.325 -9.693 -24.278 1.00 42.34 C ATOM 754 O ASN A 47 5.355 -8.963 -24.474 1.00 30.54 O ATOM 755 CB ASN A 47 8.387 -8.973 -25.498 1.00 54.41 C ATOM 756 CG ASN A 47 9.388 -9.265 -26.598 1.00 51.23 C ATOM 757 OD1 ASN A 47 10.188 -10.196 -26.494 1.00 0.10 O ATOM 758 ND2 ASN A 47 9.349 -8.469 -27.661 1.00 52.42 N ATOM 0 H ASN A 47 6.881 -9.501 -27.377 1.00 64.22 H new ATOM 0 HA ASN A 47 7.768 -11.003 -25.159 1.00 23.12 H new ATOM 0 HB2 ASN A 47 7.921 -8.005 -25.683 1.00 54.41 H new ATOM 0 HB3 ASN A 47 8.910 -8.898 -24.545 1.00 54.41 H new ATOM 0 HD21 ASN A 47 9.999 -8.617 -28.433 1.00 52.42 H new ATOM 0 HD22 ASN A 47 8.669 -7.710 -27.705 1.00 52.42 H new ATOM 765 N PRO A 48 6.586 -10.225 -23.075 1.00 53.34 N ATOM 766 CA PRO A 48 5.743 -9.981 -21.901 1.00 54.30 C ATOM 767 C PRO A 48 5.852 -8.545 -21.399 1.00 11.23 C ATOM 768 O PRO A 48 5.097 -8.125 -20.522 1.00 71.05 O ATOM 769 CB PRO A 48 6.296 -10.955 -20.857 1.00 31.24 C ATOM 770 CG PRO A 48 7.710 -11.186 -21.266 1.00 14.25 C ATOM 771 CD PRO A 48 7.727 -11.107 -22.767 1.00 4.25 C ATOM 0 HA PRO A 48 4.686 -10.127 -22.121 1.00 54.30 H new ATOM 0 HB2 PRO A 48 6.238 -10.534 -19.853 1.00 31.24 H new ATOM 0 HB3 PRO A 48 5.730 -11.886 -20.846 1.00 31.24 H new ATOM 0 HG2 PRO A 48 8.370 -10.437 -20.829 1.00 14.25 H new ATOM 0 HG3 PRO A 48 8.061 -12.159 -20.923 1.00 14.25 H new ATOM 0 HD2 PRO A 48 8.665 -10.694 -23.137 1.00 4.25 H new ATOM 0 HD3 PRO A 48 7.609 -12.090 -23.223 1.00 4.25 H new ATOM 779 N GLY A 49 6.796 -7.796 -21.960 1.00 33.24 N ATOM 780 CA GLY A 49 6.985 -6.415 -21.556 1.00 61.51 C ATOM 781 C GLY A 49 5.827 -5.527 -21.965 1.00 5.25 C ATOM 782 O GLY A 49 5.676 -4.415 -21.455 1.00 62.35 O ATOM 0 H GLY A 49 7.433 -8.121 -22.687 1.00 33.24 H new ATOM 0 HA2 GLY A 49 7.109 -6.370 -20.474 1.00 61.51 H new ATOM 0 HA3 GLY A 49 7.905 -6.033 -21.998 1.00 61.51 H new ATOM 786 N LEU A 50 5.004 -6.017 -22.888 1.00 52.33 N ATOM 787 CA LEU A 50 3.853 -5.260 -23.366 1.00 74.01 C ATOM 788 C LEU A 50 2.715 -5.301 -22.351 1.00 10.53 C ATOM 789 O LEU A 50 1.866 -4.409 -22.319 1.00 42.44 O ATOM 790 CB LEU A 50 3.375 -5.815 -24.708 1.00 43.23 C ATOM 791 CG LEU A 50 4.456 -6.036 -25.767 1.00 14.12 C ATOM 792 CD1 LEU A 50 3.851 -6.623 -27.033 1.00 33.13 C ATOM 793 CD2 LEU A 50 5.177 -4.731 -26.073 1.00 65.10 C ATOM 0 H LEU A 50 5.113 -6.935 -23.319 1.00 52.33 H new ATOM 0 HA LEU A 50 4.160 -4.223 -23.498 1.00 74.01 H new ATOM 0 HB2 LEU A 50 2.872 -6.765 -24.527 1.00 43.23 H new ATOM 0 HB3 LEU A 50 2.629 -5.132 -25.116 1.00 43.23 H new ATOM 0 HG LEU A 50 5.183 -6.746 -25.374 1.00 14.12 H new ATOM 0 HD11 LEU A 50 4.635 -6.773 -27.775 1.00 33.13 H new ATOM 0 HD12 LEU A 50 3.381 -7.579 -26.802 1.00 33.13 H new ATOM 0 HD13 LEU A 50 3.102 -5.938 -27.430 1.00 33.13 H new ATOM 0 HD21 LEU A 50 5.943 -4.907 -26.828 1.00 65.10 H new ATOM 0 HD22 LEU A 50 4.461 -3.998 -26.446 1.00 65.10 H new ATOM 0 HD23 LEU A 50 5.644 -4.352 -25.164 1.00 65.10 H new ATOM 805 N LEU A 51 2.706 -6.339 -21.522 1.00 30.35 N ATOM 806 CA LEU A 51 1.673 -6.495 -20.504 1.00 2.44 C ATOM 807 C LEU A 51 1.758 -5.380 -19.466 1.00 62.10 C ATOM 808 O LEU A 51 0.766 -5.044 -18.820 1.00 75.43 O ATOM 809 CB LEU A 51 1.806 -7.856 -19.818 1.00 71.45 C ATOM 810 CG LEU A 51 1.437 -9.074 -20.666 1.00 74.22 C ATOM 811 CD1 LEU A 51 2.312 -10.263 -20.302 1.00 3.33 C ATOM 812 CD2 LEU A 51 -0.035 -9.418 -20.493 1.00 53.34 C ATOM 0 H LEU A 51 3.402 -7.085 -21.535 1.00 30.35 H new ATOM 0 HA LEU A 51 0.702 -6.436 -20.996 1.00 2.44 H new ATOM 0 HB2 LEU A 51 2.836 -7.972 -19.481 1.00 71.45 H new ATOM 0 HB3 LEU A 51 1.178 -7.855 -18.927 1.00 71.45 H new ATOM 0 HG LEU A 51 1.611 -8.830 -21.714 1.00 74.22 H new ATOM 0 HD11 LEU A 51 2.035 -11.120 -20.916 1.00 3.33 H new ATOM 0 HD12 LEU A 51 3.358 -10.013 -20.479 1.00 3.33 H new ATOM 0 HD13 LEU A 51 2.171 -10.510 -19.250 1.00 3.33 H new ATOM 0 HD21 LEU A 51 -0.280 -10.287 -21.104 1.00 53.34 H new ATOM 0 HD22 LEU A 51 -0.235 -9.643 -19.445 1.00 53.34 H new ATOM 0 HD23 LEU A 51 -0.646 -8.571 -20.806 1.00 53.34 H new ATOM 824 N GLU A 52 2.949 -4.810 -19.315 1.00 32.34 N ATOM 825 CA GLU A 52 3.162 -3.730 -18.357 1.00 43.34 C ATOM 826 C GLU A 52 3.070 -2.370 -19.041 1.00 1.31 C ATOM 827 O GLU A 52 3.615 -1.378 -18.553 1.00 24.13 O ATOM 828 CB GLU A 52 4.527 -3.882 -17.681 1.00 13.33 C ATOM 829 CG GLU A 52 5.700 -3.741 -18.637 1.00 3.43 C ATOM 830 CD GLU A 52 6.998 -3.416 -17.924 1.00 1.44 C ATOM 831 OE1 GLU A 52 7.415 -4.215 -17.060 1.00 11.20 O ATOM 832 OE2 GLU A 52 7.596 -2.363 -18.230 1.00 1.44 O ATOM 0 H GLU A 52 3.780 -5.077 -19.842 1.00 32.34 H new ATOM 0 HA GLU A 52 2.380 -3.790 -17.600 1.00 43.34 H new ATOM 0 HB2 GLU A 52 4.619 -3.133 -16.894 1.00 13.33 H new ATOM 0 HB3 GLU A 52 4.577 -4.858 -17.199 1.00 13.33 H new ATOM 0 HG2 GLU A 52 5.820 -4.668 -19.198 1.00 3.43 H new ATOM 0 HG3 GLU A 52 5.481 -2.956 -19.361 1.00 3.43 H new ATOM 839 N THR A 53 2.375 -2.329 -20.174 1.00 12.41 N ATOM 840 CA THR A 53 2.212 -1.092 -20.926 1.00 2.13 C ATOM 841 C THR A 53 0.769 -0.912 -21.382 1.00 64.31 C ATOM 842 O THR A 53 0.204 -1.784 -22.044 1.00 11.35 O ATOM 843 CB THR A 53 3.136 -1.056 -22.157 1.00 51.21 C ATOM 844 OG1 THR A 53 2.641 -1.943 -23.166 1.00 72.20 O ATOM 845 CG2 THR A 53 4.556 -1.451 -21.780 1.00 11.45 C ATOM 0 H THR A 53 1.916 -3.139 -20.590 1.00 12.41 H new ATOM 0 HA THR A 53 2.483 -0.277 -20.255 1.00 2.13 H new ATOM 0 HB THR A 53 3.150 -0.037 -22.544 1.00 51.21 H new ATOM 0 HG1 THR A 53 2.363 -2.787 -22.752 1.00 72.20 H new ATOM 0 HG21 THR A 53 5.190 -1.418 -22.666 1.00 11.45 H new ATOM 0 HG22 THR A 53 4.940 -0.757 -21.033 1.00 11.45 H new ATOM 0 HG23 THR A 53 4.556 -2.461 -21.371 1.00 11.45 H new ATOM 853 N SER A 54 0.176 0.223 -21.025 1.00 71.41 N ATOM 854 CA SER A 54 -1.204 0.514 -21.396 1.00 71.41 C ATOM 855 C SER A 54 -1.383 0.453 -22.911 1.00 13.34 C ATOM 856 O SER A 54 -2.486 0.225 -23.406 1.00 20.14 O ATOM 857 CB SER A 54 -1.613 1.894 -20.877 1.00 24.50 C ATOM 858 OG SER A 54 -0.734 2.337 -19.859 1.00 73.41 O ATOM 0 H SER A 54 0.630 0.956 -20.479 1.00 71.41 H new ATOM 0 HA SER A 54 -1.845 -0.242 -20.941 1.00 71.41 H new ATOM 0 HB2 SER A 54 -1.613 2.610 -21.699 1.00 24.50 H new ATOM 0 HB3 SER A 54 -2.631 1.853 -20.490 1.00 24.50 H new ATOM 0 HG SER A 54 -1.016 3.222 -19.545 1.00 73.41 H new ATOM 864 N GLU A 55 -0.291 0.661 -23.639 1.00 53.02 N ATOM 865 CA GLU A 55 -0.328 0.631 -25.096 1.00 34.12 C ATOM 866 C GLU A 55 -0.240 -0.802 -25.614 1.00 52.33 C ATOM 867 O GLU A 55 -1.045 -1.225 -26.442 1.00 11.14 O ATOM 868 CB GLU A 55 0.818 1.465 -25.674 1.00 63.53 C ATOM 869 CG GLU A 55 0.355 2.724 -26.387 1.00 64.31 C ATOM 870 CD GLU A 55 0.424 3.953 -25.502 1.00 35.50 C ATOM 871 OE1 GLU A 55 -0.493 4.141 -24.676 1.00 32.10 O ATOM 872 OE2 GLU A 55 1.394 4.728 -25.637 1.00 61.21 O ATOM 0 H GLU A 55 0.630 0.852 -23.244 1.00 53.02 H new ATOM 0 HA GLU A 55 -1.278 1.057 -25.419 1.00 34.12 H new ATOM 0 HB2 GLU A 55 1.496 1.743 -24.867 1.00 63.53 H new ATOM 0 HB3 GLU A 55 1.387 0.851 -26.372 1.00 63.53 H new ATOM 0 HG2 GLU A 55 0.971 2.883 -27.272 1.00 64.31 H new ATOM 0 HG3 GLU A 55 -0.670 2.586 -26.732 1.00 64.31 H new ATOM 879 N GLY A 56 0.745 -1.545 -25.117 1.00 2.12 N ATOM 880 CA GLY A 56 0.921 -2.922 -25.540 1.00 23.35 C ATOM 881 C GLY A 56 -0.351 -3.736 -25.407 1.00 64.21 C ATOM 882 O GLY A 56 -0.740 -4.448 -26.334 1.00 20.05 O ATOM 0 H GLY A 56 1.424 -1.218 -24.429 1.00 2.12 H new ATOM 0 HA2 GLY A 56 1.254 -2.940 -26.578 1.00 23.35 H new ATOM 0 HA3 GLY A 56 1.708 -3.384 -24.945 1.00 23.35 H new ATOM 886 N CYS A 57 -0.999 -3.634 -24.252 1.00 14.04 N ATOM 887 CA CYS A 57 -2.233 -4.369 -24.000 1.00 22.15 C ATOM 888 C CYS A 57 -3.244 -4.135 -25.118 1.00 20.34 C ATOM 889 O CYS A 57 -3.879 -5.073 -25.602 1.00 35.24 O ATOM 890 CB CYS A 57 -2.835 -3.952 -22.658 1.00 63.05 C ATOM 891 SG CYS A 57 -2.565 -5.145 -21.326 1.00 34.00 S ATOM 0 H CYS A 57 -0.690 -3.049 -23.475 1.00 14.04 H new ATOM 0 HA CYS A 57 -1.993 -5.432 -23.968 1.00 22.15 H new ATOM 0 HB2 CYS A 57 -2.410 -2.992 -22.364 1.00 63.05 H new ATOM 0 HB3 CYS A 57 -3.907 -3.801 -22.784 1.00 63.05 H new ATOM 0 HG CYS A 57 -3.109 -4.703 -20.231 1.00 34.00 H new ATOM 897 N ARG A 58 -3.389 -2.878 -25.523 1.00 32.25 N ATOM 898 CA ARG A 58 -4.325 -2.519 -26.583 1.00 63.30 C ATOM 899 C ARG A 58 -3.951 -3.205 -27.894 1.00 50.23 C ATOM 900 O ARG A 58 -4.820 -3.663 -28.634 1.00 65.53 O ATOM 901 CB ARG A 58 -4.351 -1.001 -26.778 1.00 62.24 C ATOM 902 CG ARG A 58 -5.612 -0.497 -27.459 1.00 63.20 C ATOM 903 CD ARG A 58 -5.564 1.008 -27.677 1.00 60.05 C ATOM 904 NE ARG A 58 -6.861 1.544 -28.076 1.00 30.14 N ATOM 905 CZ ARG A 58 -7.364 1.422 -29.299 1.00 73.24 C ATOM 906 NH1 ARG A 58 -6.680 0.783 -30.239 1.00 10.11 N ATOM 907 NH2 ARG A 58 -8.551 1.938 -29.585 1.00 3.05 N ATOM 0 H ARG A 58 -2.871 -2.091 -25.134 1.00 32.25 H new ATOM 0 HA ARG A 58 -5.318 -2.857 -26.286 1.00 63.30 H new ATOM 0 HB2 ARG A 58 -4.254 -0.517 -25.806 1.00 62.24 H new ATOM 0 HB3 ARG A 58 -3.485 -0.704 -27.370 1.00 62.24 H new ATOM 0 HG2 ARG A 58 -5.735 -1.001 -28.418 1.00 63.20 H new ATOM 0 HG3 ARG A 58 -6.481 -0.750 -26.852 1.00 63.20 H new ATOM 0 HD2 ARG A 58 -5.236 1.497 -26.760 1.00 60.05 H new ATOM 0 HD3 ARG A 58 -4.825 1.240 -28.443 1.00 60.05 H new ATOM 0 HE ARG A 58 -7.413 2.040 -27.376 1.00 30.14 H new ATOM 0 HH11 ARG A 58 -5.766 0.384 -30.023 1.00 10.11 H new ATOM 0 HH12 ARG A 58 -7.068 0.690 -31.178 1.00 10.11 H new ATOM 0 HH21 ARG A 58 -9.080 2.430 -28.865 1.00 3.05 H new ATOM 0 HH22 ARG A 58 -8.935 1.843 -30.525 1.00 3.05 H new ATOM 921 N GLN A 59 -2.652 -3.270 -28.172 1.00 22.13 N ATOM 922 CA GLN A 59 -2.165 -3.898 -29.394 1.00 50.43 C ATOM 923 C GLN A 59 -2.403 -5.405 -29.364 1.00 2.45 C ATOM 924 O GLN A 59 -2.911 -5.981 -30.326 1.00 4.15 O ATOM 925 CB GLN A 59 -0.674 -3.610 -29.581 1.00 12.40 C ATOM 926 CG GLN A 59 -0.394 -2.381 -30.431 1.00 32.11 C ATOM 927 CD GLN A 59 0.198 -1.239 -29.628 1.00 74.13 C ATOM 928 OE1 GLN A 59 1.301 -1.350 -29.091 1.00 74.04 O ATOM 929 NE2 GLN A 59 -0.531 -0.133 -29.543 1.00 45.24 N ATOM 0 H GLN A 59 -1.920 -2.896 -27.568 1.00 22.13 H new ATOM 0 HA GLN A 59 -2.718 -3.477 -30.234 1.00 50.43 H new ATOM 0 HB2 GLN A 59 -0.212 -3.478 -28.602 1.00 12.40 H new ATOM 0 HB3 GLN A 59 -0.200 -4.476 -30.042 1.00 12.40 H new ATOM 0 HG2 GLN A 59 0.292 -2.648 -31.235 1.00 32.11 H new ATOM 0 HG3 GLN A 59 -1.321 -2.049 -30.899 1.00 32.11 H new ATOM 0 HE21 GLN A 59 -1.440 -0.084 -30.004 1.00 45.24 H new ATOM 0 HE22 GLN A 59 -0.182 0.668 -29.017 1.00 45.24 H new ATOM 938 N ILE A 60 -2.034 -6.035 -28.254 1.00 75.33 N ATOM 939 CA ILE A 60 -2.209 -7.474 -28.100 1.00 11.43 C ATOM 940 C ILE A 60 -3.664 -7.877 -28.308 1.00 30.45 C ATOM 941 O ILE A 60 -3.953 -8.925 -28.886 1.00 3.42 O ATOM 942 CB ILE A 60 -1.751 -7.950 -26.709 1.00 41.23 C ATOM 943 CG1 ILE A 60 -0.282 -7.590 -26.480 1.00 74.22 C ATOM 944 CG2 ILE A 60 -1.962 -9.451 -26.566 1.00 31.54 C ATOM 945 CD1 ILE A 60 0.128 -7.616 -25.025 1.00 41.33 C ATOM 0 H ILE A 60 -1.612 -5.572 -27.449 1.00 75.33 H new ATOM 0 HA ILE A 60 -1.591 -7.950 -28.861 1.00 11.43 H new ATOM 0 HB ILE A 60 -2.352 -7.444 -25.953 1.00 41.23 H new ATOM 0 HG12 ILE A 60 0.345 -8.285 -27.038 1.00 74.22 H new ATOM 0 HG13 ILE A 60 -0.093 -6.596 -26.884 1.00 74.22 H new ATOM 0 HG21 ILE A 60 -1.633 -9.772 -25.578 1.00 31.54 H new ATOM 0 HG22 ILE A 60 -3.020 -9.683 -26.690 1.00 31.54 H new ATOM 0 HG23 ILE A 60 -1.384 -9.974 -27.328 1.00 31.54 H new ATOM 0 HD11 ILE A 60 1.182 -7.351 -24.939 1.00 41.33 H new ATOM 0 HD12 ILE A 60 -0.473 -6.900 -24.465 1.00 41.33 H new ATOM 0 HD13 ILE A 60 -0.028 -8.616 -24.621 1.00 41.33 H new ATOM 957 N LEU A 61 -4.579 -7.035 -27.838 1.00 13.31 N ATOM 958 CA LEU A 61 -6.006 -7.301 -27.974 1.00 64.34 C ATOM 959 C LEU A 61 -6.454 -7.142 -29.423 1.00 71.40 C ATOM 960 O LEU A 61 -7.437 -7.747 -29.851 1.00 14.53 O ATOM 961 CB LEU A 61 -6.809 -6.359 -27.075 1.00 42.24 C ATOM 962 CG LEU A 61 -6.518 -6.452 -25.577 1.00 42.44 C ATOM 963 CD1 LEU A 61 -6.733 -5.104 -24.907 1.00 61.03 C ATOM 964 CD2 LEU A 61 -7.390 -7.517 -24.928 1.00 22.11 C ATOM 0 H LEU A 61 -4.357 -6.162 -27.359 1.00 13.31 H new ATOM 0 HA LEU A 61 -6.189 -8.331 -27.667 1.00 64.34 H new ATOM 0 HB2 LEU A 61 -6.623 -5.335 -27.398 1.00 42.24 H new ATOM 0 HB3 LEU A 61 -7.870 -6.556 -27.232 1.00 42.24 H new ATOM 0 HG LEU A 61 -5.474 -6.738 -25.447 1.00 42.44 H new ATOM 0 HD11 LEU A 61 -6.521 -5.190 -23.841 1.00 61.03 H new ATOM 0 HD12 LEU A 61 -6.065 -4.366 -25.352 1.00 61.03 H new ATOM 0 HD13 LEU A 61 -7.767 -4.789 -25.047 1.00 61.03 H new ATOM 0 HD21 LEU A 61 -7.169 -7.569 -23.862 1.00 22.11 H new ATOM 0 HD22 LEU A 61 -8.440 -7.262 -25.069 1.00 22.11 H new ATOM 0 HD23 LEU A 61 -7.186 -8.484 -25.388 1.00 22.11 H new ATOM 976 N GLY A 62 -5.724 -6.326 -30.177 1.00 35.50 N ATOM 977 CA GLY A 62 -6.059 -6.103 -31.572 1.00 4.51 C ATOM 978 C GLY A 62 -5.867 -7.346 -32.419 1.00 4.24 C ATOM 979 O GLY A 62 -6.479 -7.482 -33.478 1.00 3.12 O ATOM 0 H GLY A 62 -4.906 -5.815 -29.847 1.00 35.50 H new ATOM 0 HA2 GLY A 62 -7.095 -5.773 -31.646 1.00 4.51 H new ATOM 0 HA3 GLY A 62 -5.439 -5.298 -31.967 1.00 4.51 H new ATOM 983 N GLN A 63 -5.016 -8.252 -31.952 1.00 72.24 N ATOM 984 CA GLN A 63 -4.744 -9.489 -32.677 1.00 31.25 C ATOM 985 C GLN A 63 -5.716 -10.588 -32.262 1.00 51.42 C ATOM 986 O GLN A 63 -6.230 -11.327 -33.102 1.00 73.24 O ATOM 987 CB GLN A 63 -3.305 -9.944 -32.429 1.00 32.40 C ATOM 988 CG GLN A 63 -2.365 -9.649 -33.588 1.00 12.44 C ATOM 989 CD GLN A 63 -1.558 -8.383 -33.376 1.00 31.15 C ATOM 990 OE1 GLN A 63 -1.630 -7.447 -34.174 1.00 1.24 O ATOM 991 NE2 GLN A 63 -0.783 -8.347 -32.299 1.00 1.13 N ATOM 0 H GLN A 63 -4.503 -8.154 -31.076 1.00 72.24 H new ATOM 0 HA GLN A 63 -4.878 -9.294 -33.741 1.00 31.25 H new ATOM 0 HB2 GLN A 63 -2.927 -9.454 -31.532 1.00 32.40 H new ATOM 0 HB3 GLN A 63 -3.301 -11.016 -32.232 1.00 32.40 H new ATOM 0 HG2 GLN A 63 -1.685 -10.490 -33.723 1.00 12.44 H new ATOM 0 HG3 GLN A 63 -2.944 -9.557 -34.507 1.00 12.44 H new ATOM 0 HE21 GLN A 63 -0.754 -9.145 -31.665 1.00 1.13 H new ATOM 0 HE22 GLN A 63 -0.216 -7.521 -32.106 1.00 1.13 H new ATOM 1000 N LEU A 64 -5.964 -10.691 -30.961 1.00 1.20 N ATOM 1001 CA LEU A 64 -6.875 -11.701 -30.434 1.00 15.24 C ATOM 1002 C LEU A 64 -8.326 -11.327 -30.718 1.00 2.45 C ATOM 1003 O LEU A 64 -9.196 -12.194 -30.797 1.00 32.40 O ATOM 1004 CB LEU A 64 -6.665 -11.868 -28.927 1.00 62.23 C ATOM 1005 CG LEU A 64 -5.215 -12.006 -28.464 1.00 13.33 C ATOM 1006 CD1 LEU A 64 -5.122 -11.859 -26.952 1.00 74.53 C ATOM 1007 CD2 LEU A 64 -4.636 -13.341 -28.908 1.00 43.42 C ATOM 0 H LEU A 64 -5.547 -10.088 -30.252 1.00 1.20 H new ATOM 0 HA LEU A 64 -6.659 -12.646 -30.932 1.00 15.24 H new ATOM 0 HB2 LEU A 64 -7.107 -11.009 -28.421 1.00 62.23 H new ATOM 0 HB3 LEU A 64 -7.216 -12.750 -28.599 1.00 62.23 H new ATOM 0 HG LEU A 64 -4.630 -11.209 -28.924 1.00 13.33 H new ATOM 0 HD11 LEU A 64 -4.083 -11.960 -26.640 1.00 74.53 H new ATOM 0 HD12 LEU A 64 -5.495 -10.878 -26.658 1.00 74.53 H new ATOM 0 HD13 LEU A 64 -5.721 -12.634 -26.474 1.00 74.53 H new ATOM 0 HD21 LEU A 64 -3.603 -13.420 -28.569 1.00 43.42 H new ATOM 0 HD22 LEU A 64 -5.223 -14.153 -28.478 1.00 43.42 H new ATOM 0 HD23 LEU A 64 -4.667 -13.407 -29.996 1.00 43.42 H new ATOM 1019 N GLN A 65 -8.579 -10.031 -30.870 1.00 61.32 N ATOM 1020 CA GLN A 65 -9.925 -9.543 -31.147 1.00 52.43 C ATOM 1021 C GLN A 65 -10.536 -10.278 -32.336 1.00 1.44 C ATOM 1022 O GLN A 65 -11.558 -10.955 -32.219 1.00 34.51 O ATOM 1023 CB GLN A 65 -9.899 -8.038 -31.420 1.00 72.33 C ATOM 1024 CG GLN A 65 -10.390 -7.199 -30.251 1.00 21.31 C ATOM 1025 CD GLN A 65 -10.622 -5.750 -30.631 1.00 44.21 C ATOM 1026 OE1 GLN A 65 -11.219 -5.455 -31.667 1.00 43.41 O ATOM 1027 NE2 GLN A 65 -10.150 -4.836 -29.792 1.00 14.04 N ATOM 0 H GLN A 65 -7.870 -9.300 -30.806 1.00 61.32 H new ATOM 0 HA GLN A 65 -10.542 -9.734 -30.269 1.00 52.43 H new ATOM 0 HB2 GLN A 65 -8.880 -7.740 -31.668 1.00 72.33 H new ATOM 0 HB3 GLN A 65 -10.515 -7.825 -32.294 1.00 72.33 H new ATOM 0 HG2 GLN A 65 -11.318 -7.624 -29.868 1.00 21.31 H new ATOM 0 HG3 GLN A 65 -9.660 -7.247 -29.443 1.00 21.31 H new ATOM 0 HE21 GLN A 65 -9.661 -5.125 -28.945 1.00 14.04 H new ATOM 0 HE22 GLN A 65 -10.276 -3.844 -29.995 1.00 14.04 H new ATOM 1036 N PRO A 66 -9.898 -10.141 -33.507 1.00 23.53 N ATOM 1037 CA PRO A 66 -10.361 -10.784 -34.741 1.00 3.21 C ATOM 1038 C PRO A 66 -10.182 -12.298 -34.708 1.00 30.04 C ATOM 1039 O PRO A 66 -10.779 -13.021 -35.506 1.00 54.13 O ATOM 1040 CB PRO A 66 -9.472 -10.164 -35.821 1.00 34.00 C ATOM 1041 CG PRO A 66 -8.235 -9.749 -35.101 1.00 42.42 C ATOM 1042 CD PRO A 66 -8.675 -9.349 -33.719 1.00 61.02 C ATOM 0 HA PRO A 66 -11.427 -10.627 -34.906 1.00 3.21 H new ATOM 0 HB2 PRO A 66 -9.249 -10.882 -36.610 1.00 34.00 H new ATOM 0 HB3 PRO A 66 -9.960 -9.312 -36.294 1.00 34.00 H new ATOM 0 HG2 PRO A 66 -7.515 -10.566 -35.060 1.00 42.42 H new ATOM 0 HG3 PRO A 66 -7.747 -8.919 -35.611 1.00 42.42 H new ATOM 0 HD2 PRO A 66 -7.914 -9.578 -32.973 1.00 61.02 H new ATOM 0 HD3 PRO A 66 -8.873 -8.279 -33.654 1.00 61.02 H new ATOM 1050 N SER A 67 -9.357 -12.772 -33.779 1.00 33.05 N ATOM 1051 CA SER A 67 -9.097 -14.200 -33.645 1.00 41.33 C ATOM 1052 C SER A 67 -9.847 -14.778 -32.449 1.00 64.24 C ATOM 1053 O SER A 67 -9.431 -15.779 -31.865 1.00 62.15 O ATOM 1054 CB SER A 67 -7.596 -14.454 -33.491 1.00 45.11 C ATOM 1055 OG SER A 67 -6.922 -14.292 -34.727 1.00 65.14 O ATOM 0 H SER A 67 -8.858 -12.188 -33.109 1.00 33.05 H new ATOM 0 HA SER A 67 -9.451 -14.696 -34.549 1.00 41.33 H new ATOM 0 HB2 SER A 67 -7.181 -13.766 -32.754 1.00 45.11 H new ATOM 0 HB3 SER A 67 -7.432 -15.463 -33.113 1.00 45.11 H new ATOM 0 HG SER A 67 -5.964 -14.458 -34.602 1.00 65.14 H new ATOM 1061 N LEU A 68 -10.956 -14.141 -32.089 1.00 11.14 N ATOM 1062 CA LEU A 68 -11.766 -14.591 -30.962 1.00 33.44 C ATOM 1063 C LEU A 68 -12.654 -15.764 -31.365 1.00 74.33 C ATOM 1064 O LEU A 68 -12.845 -16.702 -30.592 1.00 60.44 O ATOM 1065 CB LEU A 68 -12.628 -13.441 -30.438 1.00 61.23 C ATOM 1066 CG LEU A 68 -12.066 -12.673 -29.242 1.00 0.41 C ATOM 1067 CD1 LEU A 68 -12.817 -11.365 -29.046 1.00 21.41 C ATOM 1068 CD2 LEU A 68 -12.137 -13.523 -27.981 1.00 1.13 C ATOM 0 H LEU A 68 -11.315 -13.311 -32.561 1.00 11.14 H new ATOM 0 HA LEU A 68 -11.093 -14.923 -30.171 1.00 33.44 H new ATOM 0 HB2 LEU A 68 -12.792 -12.736 -31.253 1.00 61.23 H new ATOM 0 HB3 LEU A 68 -13.603 -13.841 -30.162 1.00 61.23 H new ATOM 0 HG LEU A 68 -11.020 -12.442 -29.443 1.00 0.41 H new ATOM 0 HD11 LEU A 68 -12.403 -10.832 -28.190 1.00 21.41 H new ATOM 0 HD12 LEU A 68 -12.716 -10.750 -29.940 1.00 21.41 H new ATOM 0 HD13 LEU A 68 -13.872 -11.574 -28.867 1.00 21.41 H new ATOM 0 HD21 LEU A 68 -11.733 -12.960 -27.140 1.00 1.13 H new ATOM 0 HD22 LEU A 68 -13.175 -13.785 -27.777 1.00 1.13 H new ATOM 0 HD23 LEU A 68 -11.554 -14.433 -28.122 1.00 1.13 H new ATOM 1080 N GLN A 69 -13.190 -15.705 -32.579 1.00 23.54 N ATOM 1081 CA GLN A 69 -14.056 -16.764 -33.083 1.00 21.43 C ATOM 1082 C GLN A 69 -13.241 -17.986 -33.490 1.00 64.53 C ATOM 1083 O GLN A 69 -13.641 -19.125 -33.242 1.00 10.01 O ATOM 1084 CB GLN A 69 -14.872 -16.261 -34.276 1.00 2.12 C ATOM 1085 CG GLN A 69 -15.788 -17.315 -34.876 1.00 41.34 C ATOM 1086 CD GLN A 69 -15.239 -17.904 -36.160 1.00 33.22 C ATOM 1087 OE1 GLN A 69 -14.537 -17.229 -36.914 1.00 60.52 O ATOM 1088 NE2 GLN A 69 -15.556 -19.166 -36.417 1.00 45.54 N ATOM 0 H GLN A 69 -13.040 -14.936 -33.232 1.00 23.54 H new ATOM 0 HA GLN A 69 -14.736 -17.053 -32.282 1.00 21.43 H new ATOM 0 HB2 GLN A 69 -15.472 -15.407 -33.961 1.00 2.12 H new ATOM 0 HB3 GLN A 69 -14.190 -15.904 -35.047 1.00 2.12 H new ATOM 0 HG2 GLN A 69 -15.940 -18.114 -34.150 1.00 41.34 H new ATOM 0 HG3 GLN A 69 -16.765 -16.873 -35.072 1.00 41.34 H new ATOM 0 HE21 GLN A 69 -16.141 -19.688 -35.764 1.00 45.54 H new ATOM 0 HE22 GLN A 69 -15.215 -19.614 -37.267 1.00 45.54 H new ATOM 1097 N THR A 70 -12.094 -17.745 -34.117 1.00 51.33 N ATOM 1098 CA THR A 70 -11.221 -18.826 -34.560 1.00 11.34 C ATOM 1099 C THR A 70 -10.060 -19.025 -33.593 1.00 72.14 C ATOM 1100 O THR A 70 -9.003 -19.528 -33.973 1.00 33.32 O ATOM 1101 CB THR A 70 -10.661 -18.554 -35.969 1.00 5.41 C ATOM 1102 OG1 THR A 70 -9.766 -17.438 -35.933 1.00 34.13 O ATOM 1103 CG2 THR A 70 -11.786 -18.278 -36.954 1.00 22.04 C ATOM 0 H THR A 70 -11.747 -16.810 -34.330 1.00 51.33 H new ATOM 0 HA THR A 70 -11.827 -19.732 -34.587 1.00 11.34 H new ATOM 0 HB THR A 70 -10.121 -19.441 -36.299 1.00 5.41 H new ATOM 0 HG1 THR A 70 -9.413 -17.273 -36.832 1.00 34.13 H new ATOM 0 HG21 THR A 70 -11.366 -18.089 -37.942 1.00 22.04 H new ATOM 0 HG22 THR A 70 -12.449 -19.142 -37.001 1.00 22.04 H new ATOM 0 HG23 THR A 70 -12.350 -17.405 -36.626 1.00 22.04 H new ATOM 1111 N GLY A 71 -10.263 -18.629 -32.341 1.00 50.33 N ATOM 1112 CA GLY A 71 -9.224 -18.775 -31.339 1.00 53.21 C ATOM 1113 C GLY A 71 -9.582 -19.792 -30.274 1.00 1.25 C ATOM 1114 O GLY A 71 -10.627 -19.685 -29.630 1.00 74.15 O ATOM 0 H GLY A 71 -11.129 -18.209 -32.002 1.00 50.33 H new ATOM 0 HA2 GLY A 71 -8.295 -19.074 -31.825 1.00 53.21 H new ATOM 0 HA3 GLY A 71 -9.040 -17.810 -30.868 1.00 53.21 H new ATOM 1118 N SER A 72 -8.716 -20.782 -30.088 1.00 64.02 N ATOM 1119 CA SER A 72 -8.950 -21.827 -29.097 1.00 34.40 C ATOM 1120 C SER A 72 -8.981 -21.243 -27.689 1.00 31.01 C ATOM 1121 O SER A 72 -8.889 -20.029 -27.508 1.00 14.54 O ATOM 1122 CB SER A 72 -7.864 -22.901 -29.192 1.00 73.20 C ATOM 1123 OG SER A 72 -6.846 -22.684 -28.231 1.00 5.43 O ATOM 0 H SER A 72 -7.846 -20.883 -30.610 1.00 64.02 H new ATOM 0 HA SER A 72 -9.919 -22.280 -29.305 1.00 34.40 H new ATOM 0 HB2 SER A 72 -8.307 -23.885 -29.041 1.00 73.20 H new ATOM 0 HB3 SER A 72 -7.431 -22.897 -30.192 1.00 73.20 H new ATOM 0 HG SER A 72 -6.165 -23.385 -28.311 1.00 5.43 H new ATOM 1129 N GLU A 73 -9.111 -22.116 -26.695 1.00 4.40 N ATOM 1130 CA GLU A 73 -9.156 -21.686 -25.303 1.00 51.52 C ATOM 1131 C GLU A 73 -7.909 -20.886 -24.940 1.00 55.32 C ATOM 1132 O GLU A 73 -7.944 -20.027 -24.059 1.00 42.42 O ATOM 1133 CB GLU A 73 -9.285 -22.897 -24.376 1.00 2.13 C ATOM 1134 CG GLU A 73 -8.194 -23.935 -24.575 1.00 54.51 C ATOM 1135 CD GLU A 73 -8.314 -25.100 -23.610 1.00 32.43 C ATOM 1136 OE1 GLU A 73 -9.092 -24.988 -22.641 1.00 54.45 O ATOM 1137 OE2 GLU A 73 -7.630 -26.121 -23.826 1.00 60.53 O ATOM 0 H GLU A 73 -9.187 -23.124 -26.828 1.00 4.40 H new ATOM 0 HA GLU A 73 -10.028 -21.045 -25.176 1.00 51.52 H new ATOM 0 HB2 GLU A 73 -9.265 -22.555 -23.341 1.00 2.13 H new ATOM 0 HB3 GLU A 73 -10.255 -23.366 -24.538 1.00 2.13 H new ATOM 0 HG2 GLU A 73 -8.236 -24.309 -25.598 1.00 54.51 H new ATOM 0 HG3 GLU A 73 -7.220 -23.462 -24.448 1.00 54.51 H new ATOM 1144 N GLU A 74 -6.807 -21.174 -25.625 1.00 24.41 N ATOM 1145 CA GLU A 74 -5.548 -20.483 -25.375 1.00 14.42 C ATOM 1146 C GLU A 74 -5.660 -19.003 -25.732 1.00 60.11 C ATOM 1147 O GLU A 74 -4.984 -18.157 -25.144 1.00 42.12 O ATOM 1148 CB GLU A 74 -4.417 -21.128 -26.178 1.00 12.53 C ATOM 1149 CG GLU A 74 -3.291 -21.671 -25.314 1.00 74.13 C ATOM 1150 CD GLU A 74 -2.135 -22.210 -26.134 1.00 44.43 C ATOM 1151 OE1 GLU A 74 -1.680 -21.500 -27.055 1.00 72.35 O ATOM 1152 OE2 GLU A 74 -1.686 -23.342 -25.856 1.00 11.33 O ATOM 0 H GLU A 74 -6.761 -21.882 -26.358 1.00 24.41 H new ATOM 0 HA GLU A 74 -5.322 -20.567 -24.312 1.00 14.42 H new ATOM 0 HB2 GLU A 74 -4.827 -21.940 -26.779 1.00 12.53 H new ATOM 0 HB3 GLU A 74 -4.009 -20.392 -26.871 1.00 12.53 H new ATOM 0 HG2 GLU A 74 -2.928 -20.880 -24.657 1.00 74.13 H new ATOM 0 HG3 GLU A 74 -3.679 -22.464 -24.674 1.00 74.13 H new ATOM 1159 N LEU A 75 -6.517 -18.697 -26.700 1.00 63.22 N ATOM 1160 CA LEU A 75 -6.718 -17.321 -27.137 1.00 14.24 C ATOM 1161 C LEU A 75 -7.709 -16.599 -26.228 1.00 62.24 C ATOM 1162 O LEU A 75 -7.441 -15.494 -25.755 1.00 1.12 O ATOM 1163 CB LEU A 75 -7.221 -17.291 -28.582 1.00 51.50 C ATOM 1164 CG LEU A 75 -6.886 -16.032 -29.383 1.00 64.02 C ATOM 1165 CD1 LEU A 75 -6.477 -16.397 -30.802 1.00 31.15 C ATOM 1166 CD2 LEU A 75 -8.071 -15.078 -29.396 1.00 70.34 C ATOM 0 H LEU A 75 -7.084 -19.384 -27.197 1.00 63.22 H new ATOM 0 HA LEU A 75 -5.759 -16.806 -27.081 1.00 14.24 H new ATOM 0 HB2 LEU A 75 -6.808 -18.152 -29.107 1.00 51.50 H new ATOM 0 HB3 LEU A 75 -8.304 -17.413 -28.571 1.00 51.50 H new ATOM 0 HG LEU A 75 -6.047 -15.530 -28.902 1.00 64.02 H new ATOM 0 HD11 LEU A 75 -6.242 -15.489 -31.358 1.00 31.15 H new ATOM 0 HD12 LEU A 75 -5.599 -17.042 -30.773 1.00 31.15 H new ATOM 0 HD13 LEU A 75 -7.297 -16.921 -31.293 1.00 31.15 H new ATOM 0 HD21 LEU A 75 -7.815 -14.188 -29.970 1.00 70.34 H new ATOM 0 HD22 LEU A 75 -8.929 -15.570 -29.853 1.00 70.34 H new ATOM 0 HD23 LEU A 75 -8.319 -14.792 -28.374 1.00 70.34 H new ATOM 1178 N ARG A 76 -8.851 -17.233 -25.986 1.00 40.40 N ATOM 1179 CA ARG A 76 -9.881 -16.653 -25.132 1.00 52.32 C ATOM 1180 C ARG A 76 -9.296 -16.225 -23.789 1.00 3.51 C ATOM 1181 O ARG A 76 -9.495 -15.095 -23.345 1.00 33.34 O ATOM 1182 CB ARG A 76 -11.015 -17.655 -24.911 1.00 70.13 C ATOM 1183 CG ARG A 76 -12.384 -17.121 -25.297 1.00 73.01 C ATOM 1184 CD ARG A 76 -13.137 -16.590 -24.087 1.00 24.54 C ATOM 1185 NE ARG A 76 -13.516 -17.659 -23.167 1.00 10.21 N ATOM 1186 CZ ARG A 76 -14.507 -18.512 -23.399 1.00 52.03 C ATOM 1187 NH1 ARG A 76 -15.215 -18.422 -24.516 1.00 42.00 N ATOM 1188 NH2 ARG A 76 -14.791 -19.458 -22.512 1.00 31.04 N ATOM 0 H ARG A 76 -9.087 -18.148 -26.369 1.00 40.40 H new ATOM 0 HA ARG A 76 -10.279 -15.771 -25.633 1.00 52.32 H new ATOM 0 HB2 ARG A 76 -10.810 -18.556 -25.489 1.00 70.13 H new ATOM 0 HB3 ARG A 76 -11.031 -17.947 -23.861 1.00 70.13 H new ATOM 0 HG2 ARG A 76 -12.271 -16.326 -26.034 1.00 73.01 H new ATOM 0 HG3 ARG A 76 -12.965 -17.913 -25.769 1.00 73.01 H new ATOM 0 HD2 ARG A 76 -12.515 -15.864 -23.563 1.00 24.54 H new ATOM 0 HD3 ARG A 76 -14.032 -16.063 -24.419 1.00 24.54 H new ATOM 0 HE ARG A 76 -12.990 -17.756 -22.298 1.00 10.21 H new ATOM 0 HH11 ARG A 76 -14.999 -17.696 -25.200 1.00 42.00 H new ATOM 0 HH12 ARG A 76 -15.976 -19.078 -24.692 1.00 42.00 H new ATOM 0 HH21 ARG A 76 -14.248 -19.530 -21.652 1.00 31.04 H new ATOM 0 HH22 ARG A 76 -15.552 -20.113 -22.691 1.00 31.04 H new ATOM 1202 N SER A 77 -8.574 -17.139 -23.146 1.00 15.04 N ATOM 1203 CA SER A 77 -7.964 -16.857 -21.852 1.00 41.31 C ATOM 1204 C SER A 77 -7.140 -15.574 -21.906 1.00 64.00 C ATOM 1205 O SER A 77 -7.242 -14.720 -21.023 1.00 63.50 O ATOM 1206 CB SER A 77 -7.079 -18.027 -21.417 1.00 73.20 C ATOM 1207 OG SER A 77 -7.820 -18.981 -20.676 1.00 25.32 O ATOM 0 H SER A 77 -8.398 -18.079 -23.500 1.00 15.04 H new ATOM 0 HA SER A 77 -8.763 -16.723 -21.123 1.00 41.31 H new ATOM 0 HB2 SER A 77 -6.643 -18.503 -22.295 1.00 73.20 H new ATOM 0 HB3 SER A 77 -6.252 -17.656 -20.812 1.00 73.20 H new ATOM 0 HG SER A 77 -7.232 -19.719 -20.412 1.00 25.32 H new ATOM 1213 N LEU A 78 -6.325 -15.446 -22.947 1.00 13.05 N ATOM 1214 CA LEU A 78 -5.483 -14.267 -23.118 1.00 62.11 C ATOM 1215 C LEU A 78 -6.325 -12.996 -23.146 1.00 33.42 C ATOM 1216 O LEU A 78 -6.120 -12.085 -22.344 1.00 35.21 O ATOM 1217 CB LEU A 78 -4.667 -14.382 -24.406 1.00 20.53 C ATOM 1218 CG LEU A 78 -3.193 -14.752 -24.238 1.00 0.11 C ATOM 1219 CD1 LEU A 78 -2.487 -13.739 -23.350 1.00 2.51 C ATOM 1220 CD2 LEU A 78 -3.058 -16.154 -23.663 1.00 41.43 C ATOM 0 H LEU A 78 -6.229 -16.144 -23.685 1.00 13.05 H new ATOM 0 HA LEU A 78 -4.802 -14.210 -22.269 1.00 62.11 H new ATOM 0 HB2 LEU A 78 -5.138 -15.129 -25.045 1.00 20.53 H new ATOM 0 HB3 LEU A 78 -4.724 -13.430 -24.934 1.00 20.53 H new ATOM 0 HG LEU A 78 -2.719 -14.736 -25.220 1.00 0.11 H new ATOM 0 HD11 LEU A 78 -1.439 -14.018 -23.241 1.00 2.51 H new ATOM 0 HD12 LEU A 78 -2.554 -12.750 -23.802 1.00 2.51 H new ATOM 0 HD13 LEU A 78 -2.961 -13.722 -22.369 1.00 2.51 H new ATOM 0 HD21 LEU A 78 -2.002 -16.401 -23.550 1.00 41.43 H new ATOM 0 HD22 LEU A 78 -3.547 -16.197 -22.690 1.00 41.43 H new ATOM 0 HD23 LEU A 78 -3.528 -16.870 -24.337 1.00 41.43 H new ATOM 1232 N TYR A 79 -7.275 -12.942 -24.074 1.00 40.54 N ATOM 1233 CA TYR A 79 -8.149 -11.782 -24.207 1.00 74.04 C ATOM 1234 C TYR A 79 -8.790 -11.427 -22.870 1.00 13.45 C ATOM 1235 O TYR A 79 -9.087 -10.263 -22.601 1.00 42.52 O ATOM 1236 CB TYR A 79 -9.235 -12.053 -25.250 1.00 60.03 C ATOM 1237 CG TYR A 79 -9.814 -10.796 -25.861 1.00 45.45 C ATOM 1238 CD1 TYR A 79 -9.036 -9.966 -26.657 1.00 34.34 C ATOM 1239 CD2 TYR A 79 -11.139 -10.442 -25.640 1.00 14.24 C ATOM 1240 CE1 TYR A 79 -9.562 -8.817 -27.217 1.00 53.20 C ATOM 1241 CE2 TYR A 79 -11.673 -9.295 -26.197 1.00 42.32 C ATOM 1242 CZ TYR A 79 -10.880 -8.486 -26.984 1.00 34.11 C ATOM 1243 OH TYR A 79 -11.408 -7.343 -27.538 1.00 31.15 O ATOM 0 H TYR A 79 -7.459 -13.688 -24.745 1.00 40.54 H new ATOM 0 HA TYR A 79 -7.543 -10.937 -24.534 1.00 74.04 H new ATOM 0 HB2 TYR A 79 -8.819 -12.674 -26.043 1.00 60.03 H new ATOM 0 HB3 TYR A 79 -10.038 -12.625 -24.786 1.00 60.03 H new ATOM 0 HD1 TYR A 79 -8.003 -10.222 -26.842 1.00 34.34 H new ATOM 0 HD2 TYR A 79 -11.762 -11.073 -25.023 1.00 14.24 H new ATOM 0 HE1 TYR A 79 -8.944 -8.182 -27.834 1.00 53.20 H new ATOM 0 HE2 TYR A 79 -12.705 -9.034 -26.017 1.00 42.32 H new ATOM 0 HH TYR A 79 -12.349 -7.257 -27.277 1.00 31.15 H new ATOM 1253 N ASN A 80 -9.000 -12.438 -22.034 1.00 1.20 N ATOM 1254 CA ASN A 80 -9.605 -12.234 -20.723 1.00 0.15 C ATOM 1255 C ASN A 80 -8.652 -11.490 -19.793 1.00 1.40 C ATOM 1256 O ASN A 80 -8.976 -10.417 -19.282 1.00 33.12 O ATOM 1257 CB ASN A 80 -9.995 -13.577 -20.103 1.00 24.23 C ATOM 1258 CG ASN A 80 -11.490 -13.831 -20.164 1.00 73.21 C ATOM 1259 OD1 ASN A 80 -12.202 -13.215 -20.957 1.00 45.12 O ATOM 1260 ND2 ASN A 80 -11.970 -14.739 -19.324 1.00 41.35 N ATOM 0 H ASN A 80 -8.760 -13.407 -22.241 1.00 1.20 H new ATOM 0 HA ASN A 80 -10.502 -11.628 -20.855 1.00 0.15 H new ATOM 0 HB2 ASN A 80 -9.472 -14.379 -20.623 1.00 24.23 H new ATOM 0 HB3 ASN A 80 -9.667 -13.603 -19.064 1.00 24.23 H new ATOM 0 HD21 ASN A 80 -12.968 -14.951 -19.318 1.00 41.35 H new ATOM 0 HD22 ASN A 80 -11.341 -15.225 -18.684 1.00 41.35 H new ATOM 1267 N THR A 81 -7.473 -12.066 -19.577 1.00 24.11 N ATOM 1268 CA THR A 81 -6.473 -11.460 -18.709 1.00 31.34 C ATOM 1269 C THR A 81 -6.038 -10.098 -19.240 1.00 41.11 C ATOM 1270 O THR A 81 -6.051 -9.104 -18.513 1.00 60.12 O ATOM 1271 CB THR A 81 -5.233 -12.362 -18.564 1.00 0.23 C ATOM 1272 OG1 THR A 81 -5.630 -13.678 -18.166 1.00 41.15 O ATOM 1273 CG2 THR A 81 -4.263 -11.787 -17.543 1.00 71.15 C ATOM 0 H THR A 81 -7.188 -12.953 -19.993 1.00 24.11 H new ATOM 0 HA THR A 81 -6.937 -11.335 -17.731 1.00 31.34 H new ATOM 0 HB THR A 81 -4.731 -12.412 -19.530 1.00 0.23 H new ATOM 0 HG1 THR A 81 -4.837 -14.246 -18.077 1.00 41.15 H new ATOM 0 HG21 THR A 81 -3.395 -12.441 -17.457 1.00 71.15 H new ATOM 0 HG22 THR A 81 -3.941 -10.797 -17.865 1.00 71.15 H new ATOM 0 HG23 THR A 81 -4.757 -11.711 -16.574 1.00 71.15 H new ATOM 1281 N ILE A 82 -5.653 -10.060 -20.512 1.00 10.12 N ATOM 1282 CA ILE A 82 -5.215 -8.819 -21.139 1.00 64.54 C ATOM 1283 C ILE A 82 -6.283 -7.736 -21.020 1.00 61.35 C ATOM 1284 O ILE A 82 -5.977 -6.544 -21.049 1.00 4.21 O ATOM 1285 CB ILE A 82 -4.878 -9.030 -22.627 1.00 32.41 C ATOM 1286 CG1 ILE A 82 -3.784 -10.089 -22.780 1.00 63.12 C ATOM 1287 CG2 ILE A 82 -4.444 -7.717 -23.263 1.00 42.14 C ATOM 1288 CD1 ILE A 82 -3.698 -10.672 -24.173 1.00 41.55 C ATOM 0 H ILE A 82 -5.636 -10.873 -21.127 1.00 10.12 H new ATOM 0 HA ILE A 82 -4.316 -8.499 -20.612 1.00 64.54 H new ATOM 0 HB ILE A 82 -5.773 -9.382 -23.140 1.00 32.41 H new ATOM 0 HG12 ILE A 82 -2.822 -9.646 -22.520 1.00 63.12 H new ATOM 0 HG13 ILE A 82 -3.967 -10.894 -22.069 1.00 63.12 H new ATOM 0 HG21 ILE A 82 -4.209 -7.882 -24.315 1.00 42.14 H new ATOM 0 HG22 ILE A 82 -5.251 -6.989 -23.181 1.00 42.14 H new ATOM 0 HG23 ILE A 82 -3.560 -7.338 -22.749 1.00 42.14 H new ATOM 0 HD11 ILE A 82 -2.901 -11.415 -24.208 1.00 41.55 H new ATOM 0 HD12 ILE A 82 -4.646 -11.144 -24.429 1.00 41.55 H new ATOM 0 HD13 ILE A 82 -3.484 -9.877 -24.888 1.00 41.55 H new ATOM 1300 N ALA A 83 -7.535 -8.160 -20.885 1.00 15.20 N ATOM 1301 CA ALA A 83 -8.647 -7.227 -20.756 1.00 23.24 C ATOM 1302 C ALA A 83 -8.683 -6.602 -19.366 1.00 33.21 C ATOM 1303 O ALA A 83 -8.517 -5.392 -19.213 1.00 24.42 O ATOM 1304 CB ALA A 83 -9.964 -7.930 -21.056 1.00 53.45 C ATOM 0 H ALA A 83 -7.804 -9.143 -20.862 1.00 15.20 H new ATOM 0 HA ALA A 83 -8.502 -6.426 -21.481 1.00 23.24 H new ATOM 0 HB1 ALA A 83 -10.786 -7.221 -20.956 1.00 53.45 H new ATOM 0 HB2 ALA A 83 -9.944 -8.321 -22.073 1.00 53.45 H new ATOM 0 HB3 ALA A 83 -10.106 -8.752 -20.354 1.00 53.45 H new ATOM 1310 N VAL A 84 -8.900 -7.436 -18.354 1.00 11.44 N ATOM 1311 CA VAL A 84 -8.957 -6.964 -16.975 1.00 51.15 C ATOM 1312 C VAL A 84 -7.731 -6.127 -16.629 1.00 42.43 C ATOM 1313 O VAL A 84 -7.826 -5.137 -15.903 1.00 20.30 O ATOM 1314 CB VAL A 84 -9.059 -8.139 -15.984 1.00 45.24 C ATOM 1315 CG1 VAL A 84 -9.099 -7.629 -14.552 1.00 4.01 C ATOM 1316 CG2 VAL A 84 -10.283 -8.989 -16.290 1.00 71.54 C ATOM 0 H VAL A 84 -9.039 -8.441 -18.463 1.00 11.44 H new ATOM 0 HA VAL A 84 -9.851 -6.346 -16.889 1.00 51.15 H new ATOM 0 HB VAL A 84 -8.173 -8.764 -16.097 1.00 45.24 H new ATOM 0 HG11 VAL A 84 -9.171 -8.474 -13.867 1.00 4.01 H new ATOM 0 HG12 VAL A 84 -8.189 -7.067 -14.340 1.00 4.01 H new ATOM 0 HG13 VAL A 84 -9.965 -6.980 -14.421 1.00 4.01 H new ATOM 0 HG21 VAL A 84 -10.339 -9.814 -15.580 1.00 71.54 H new ATOM 0 HG22 VAL A 84 -11.181 -8.377 -16.207 1.00 71.54 H new ATOM 0 HG23 VAL A 84 -10.207 -9.386 -17.302 1.00 71.54 H new ATOM 1326 N LEU A 85 -6.578 -6.532 -17.152 1.00 24.12 N ATOM 1327 CA LEU A 85 -5.331 -5.819 -16.900 1.00 12.10 C ATOM 1328 C LEU A 85 -5.306 -4.486 -17.642 1.00 22.34 C ATOM 1329 O LEU A 85 -4.995 -3.446 -17.061 1.00 70.10 O ATOM 1330 CB LEU A 85 -4.136 -6.674 -17.324 1.00 21.33 C ATOM 1331 CG LEU A 85 -2.828 -6.419 -16.575 1.00 64.41 C ATOM 1332 CD1 LEU A 85 -2.323 -7.700 -15.931 1.00 42.21 C ATOM 1333 CD2 LEU A 85 -1.779 -5.843 -17.515 1.00 1.41 C ATOM 0 H LEU A 85 -6.481 -7.350 -17.753 1.00 24.12 H new ATOM 0 HA LEU A 85 -5.266 -5.620 -15.830 1.00 12.10 H new ATOM 0 HB2 LEU A 85 -4.404 -7.723 -17.200 1.00 21.33 H new ATOM 0 HB3 LEU A 85 -3.959 -6.514 -18.388 1.00 21.33 H new ATOM 0 HG LEU A 85 -3.019 -5.691 -15.786 1.00 64.41 H new ATOM 0 HD11 LEU A 85 -1.391 -7.499 -15.402 1.00 42.21 H new ATOM 0 HD12 LEU A 85 -3.067 -8.071 -15.226 1.00 42.21 H new ATOM 0 HD13 LEU A 85 -2.148 -8.450 -16.702 1.00 42.21 H new ATOM 0 HD21 LEU A 85 -0.854 -5.668 -16.965 1.00 1.41 H new ATOM 0 HD22 LEU A 85 -1.591 -6.547 -18.326 1.00 1.41 H new ATOM 0 HD23 LEU A 85 -2.139 -4.901 -17.929 1.00 1.41 H new ATOM 1345 N TYR A 86 -5.637 -4.525 -18.928 1.00 22.00 N ATOM 1346 CA TYR A 86 -5.652 -3.321 -19.750 1.00 4.44 C ATOM 1347 C TYR A 86 -6.484 -2.223 -19.092 1.00 74.21 C ATOM 1348 O TYR A 86 -6.027 -1.089 -18.944 1.00 42.41 O ATOM 1349 CB TYR A 86 -6.209 -3.634 -21.140 1.00 74.13 C ATOM 1350 CG TYR A 86 -6.453 -2.404 -21.985 1.00 71.13 C ATOM 1351 CD1 TYR A 86 -5.394 -1.630 -22.444 1.00 62.31 C ATOM 1352 CD2 TYR A 86 -7.742 -2.017 -22.326 1.00 5.15 C ATOM 1353 CE1 TYR A 86 -5.613 -0.506 -23.216 1.00 31.20 C ATOM 1354 CE2 TYR A 86 -7.971 -0.895 -23.099 1.00 0.14 C ATOM 1355 CZ TYR A 86 -6.904 -0.142 -23.541 1.00 70.04 C ATOM 1356 OH TYR A 86 -7.126 0.976 -24.311 1.00 54.21 O ATOM 0 H TYR A 86 -5.898 -5.377 -19.424 1.00 22.00 H new ATOM 0 HA TYR A 86 -4.626 -2.966 -19.848 1.00 4.44 H new ATOM 0 HB2 TYR A 86 -5.513 -4.291 -21.662 1.00 74.13 H new ATOM 0 HB3 TYR A 86 -7.145 -4.182 -21.032 1.00 74.13 H new ATOM 0 HD1 TYR A 86 -4.382 -1.912 -22.193 1.00 62.31 H new ATOM 0 HD2 TYR A 86 -8.581 -2.603 -21.981 1.00 5.15 H new ATOM 0 HE1 TYR A 86 -4.779 0.085 -23.564 1.00 31.20 H new ATOM 0 HE2 TYR A 86 -8.980 -0.609 -23.356 1.00 0.14 H new ATOM 0 HH TYR A 86 -7.569 1.663 -23.770 1.00 54.21 H new ATOM 1366 N CYS A 87 -7.704 -2.569 -18.701 1.00 22.53 N ATOM 1367 CA CYS A 87 -8.602 -1.614 -18.060 1.00 53.41 C ATOM 1368 C CYS A 87 -7.915 -0.931 -16.882 1.00 0.25 C ATOM 1369 O CYS A 87 -8.201 0.225 -16.568 1.00 2.23 O ATOM 1370 CB CYS A 87 -9.875 -2.316 -17.587 1.00 40.34 C ATOM 1371 SG CYS A 87 -11.062 -2.661 -18.906 1.00 60.42 S ATOM 0 H CYS A 87 -8.095 -3.504 -18.816 1.00 22.53 H new ATOM 0 HA CYS A 87 -8.868 -0.853 -18.794 1.00 53.41 H new ATOM 0 HB2 CYS A 87 -9.602 -3.254 -17.104 1.00 40.34 H new ATOM 0 HB3 CYS A 87 -10.358 -1.698 -16.831 1.00 40.34 H new ATOM 0 HG CYS A 87 -12.184 -3.061 -18.386 1.00 60.42 H new ATOM 1377 N VAL A 88 -7.008 -1.654 -16.232 1.00 2.24 N ATOM 1378 CA VAL A 88 -6.281 -1.118 -15.087 1.00 0.52 C ATOM 1379 C VAL A 88 -5.263 -0.070 -15.524 1.00 42.11 C ATOM 1380 O VAL A 88 -5.154 0.995 -14.916 1.00 33.52 O ATOM 1381 CB VAL A 88 -5.553 -2.233 -14.312 1.00 3.03 C ATOM 1382 CG1 VAL A 88 -4.945 -1.683 -13.031 1.00 63.22 C ATOM 1383 CG2 VAL A 88 -6.506 -3.380 -14.011 1.00 64.10 C ATOM 0 H VAL A 88 -6.759 -2.612 -16.479 1.00 2.24 H new ATOM 0 HA VAL A 88 -7.019 -0.653 -14.433 1.00 0.52 H new ATOM 0 HB VAL A 88 -4.744 -2.616 -14.934 1.00 3.03 H new ATOM 0 HG11 VAL A 88 -4.435 -2.485 -12.497 1.00 63.22 H new ATOM 0 HG12 VAL A 88 -4.230 -0.898 -13.276 1.00 63.22 H new ATOM 0 HG13 VAL A 88 -5.734 -1.272 -12.401 1.00 63.22 H new ATOM 0 HG21 VAL A 88 -5.976 -4.159 -13.463 1.00 64.10 H new ATOM 0 HG22 VAL A 88 -7.337 -3.014 -13.408 1.00 64.10 H new ATOM 0 HG23 VAL A 88 -6.889 -3.790 -14.946 1.00 64.10 H new ATOM 1393 N HIS A 89 -4.520 -0.380 -16.582 1.00 1.45 N ATOM 1394 CA HIS A 89 -3.511 0.536 -17.102 1.00 71.11 C ATOM 1395 C HIS A 89 -4.162 1.791 -17.678 1.00 54.34 C ATOM 1396 O HIS A 89 -3.457 2.794 -17.782 1.00 2.31 O ATOM 1397 CB HIS A 89 -2.671 -0.155 -18.178 1.00 62.11 C ATOM 1398 CG HIS A 89 -1.763 -1.217 -17.638 1.00 2.11 C ATOM 1399 ND1 HIS A 89 -1.288 -1.215 -16.343 1.00 21.25 N ATOM 1400 CD2 HIS A 89 -1.243 -2.320 -18.225 1.00 25.35 C ATOM 1401 CE1 HIS A 89 -0.515 -2.270 -16.159 1.00 50.43 C ATOM 1402 NE2 HIS A 89 -0.473 -2.958 -17.285 1.00 33.05 N ATOM 0 H HIS A 89 -4.598 -1.258 -17.096 1.00 1.45 H new ATOM 0 HA HIS A 89 -2.862 0.830 -16.277 1.00 71.11 H new ATOM 0 HB2 HIS A 89 -3.337 -0.599 -18.918 1.00 62.11 H new ATOM 0 HB3 HIS A 89 -2.073 0.594 -18.697 1.00 62.11 H new ATOM 0 HD2 HIS A 89 -1.404 -2.639 -19.244 1.00 25.35 H new ATOM 0 HE1 HIS A 89 -0.004 -2.526 -15.243 1.00 50.43 H new ATOM 0 HE2 HIS A 89 0.047 -3.823 -17.432 1.00 33.05 H new ATOM 1411 N GLN A 90 -5.440 1.761 -18.039 1.00 72.51 N ATOM 1412 CA GLN A 90 -6.103 2.936 -18.594 1.00 2.31 C ATOM 1413 C GLN A 90 -6.805 3.732 -17.499 1.00 13.11 C ATOM 1414 O GLN A 90 -6.376 4.831 -17.147 1.00 1.55 O ATOM 1415 CB GLN A 90 -7.113 2.519 -19.664 1.00 63.21 C ATOM 1416 CG GLN A 90 -7.988 3.662 -20.154 1.00 43.40 C ATOM 1417 CD GLN A 90 -8.434 3.483 -21.591 1.00 64.11 C ATOM 1418 OE1 GLN A 90 -8.408 2.374 -22.128 1.00 13.03 O ATOM 1419 NE2 GLN A 90 -8.847 4.574 -22.224 1.00 74.11 N ATOM 0 H GLN A 90 -6.037 0.938 -17.958 1.00 72.51 H new ATOM 0 HA GLN A 90 -5.343 3.571 -19.049 1.00 2.31 H new ATOM 0 HB2 GLN A 90 -6.576 2.094 -20.512 1.00 63.21 H new ATOM 0 HB3 GLN A 90 -7.750 1.731 -19.263 1.00 63.21 H new ATOM 0 HG2 GLN A 90 -8.866 3.743 -19.513 1.00 43.40 H new ATOM 0 HG3 GLN A 90 -7.439 4.599 -20.062 1.00 43.40 H new ATOM 0 HE21 GLN A 90 -8.852 5.473 -21.741 1.00 74.11 H new ATOM 0 HE22 GLN A 90 -9.159 4.514 -23.193 1.00 74.11 H new ATOM 1428 N ARG A 91 -7.885 3.172 -16.966 1.00 12.12 N ATOM 1429 CA ARG A 91 -8.647 3.831 -15.911 1.00 34.43 C ATOM 1430 C ARG A 91 -9.823 2.966 -15.469 1.00 14.12 C ATOM 1431 O ARG A 91 -10.169 2.930 -14.287 1.00 42.03 O ATOM 1432 CB ARG A 91 -9.154 5.191 -16.395 1.00 55.22 C ATOM 1433 CG ARG A 91 -8.585 6.365 -15.614 1.00 3.04 C ATOM 1434 CD ARG A 91 -8.993 7.695 -16.231 1.00 43.14 C ATOM 1435 NE ARG A 91 -10.434 7.919 -16.144 1.00 74.24 N ATOM 1436 CZ ARG A 91 -11.003 9.108 -16.306 1.00 42.12 C ATOM 1437 NH1 ARG A 91 -10.257 10.174 -16.562 1.00 43.20 N ATOM 1438 NH2 ARG A 91 -12.321 9.232 -16.213 1.00 43.13 N ATOM 0 H ARG A 91 -8.253 2.263 -17.247 1.00 12.12 H new ATOM 0 HA ARG A 91 -7.986 3.979 -15.057 1.00 34.43 H new ATOM 0 HB2 ARG A 91 -8.902 5.310 -17.449 1.00 55.22 H new ATOM 0 HB3 ARG A 91 -10.241 5.211 -16.324 1.00 55.22 H new ATOM 0 HG2 ARG A 91 -8.933 6.320 -14.582 1.00 3.04 H new ATOM 0 HG3 ARG A 91 -7.498 6.293 -15.588 1.00 3.04 H new ATOM 0 HD2 ARG A 91 -8.469 8.506 -15.725 1.00 43.14 H new ATOM 0 HD3 ARG A 91 -8.685 7.720 -17.276 1.00 43.14 H new ATOM 0 HE ARG A 91 -11.036 7.119 -15.948 1.00 74.24 H new ATOM 0 HH11 ARG A 91 -9.244 10.082 -16.635 1.00 43.20 H new ATOM 0 HH12 ARG A 91 -10.696 11.086 -16.686 1.00 43.20 H new ATOM 0 HH21 ARG A 91 -12.898 8.414 -16.017 1.00 43.13 H new ATOM 0 HH22 ARG A 91 -12.757 10.146 -16.338 1.00 43.13 H new ATOM 1452 N ILE A 92 -10.434 2.272 -16.424 1.00 54.51 N ATOM 1453 CA ILE A 92 -11.570 1.407 -16.131 1.00 54.12 C ATOM 1454 C ILE A 92 -11.250 0.444 -14.993 1.00 74.44 C ATOM 1455 O ILE A 92 -10.239 -0.259 -15.027 1.00 61.31 O ATOM 1456 CB ILE A 92 -11.994 0.597 -17.371 1.00 1.50 C ATOM 1457 CG1 ILE A 92 -12.351 1.537 -18.524 1.00 54.22 C ATOM 1458 CG2 ILE A 92 -13.170 -0.307 -17.034 1.00 24.10 C ATOM 1459 CD1 ILE A 92 -11.573 1.260 -19.791 1.00 24.34 C ATOM 0 H ILE A 92 -10.161 2.292 -17.407 1.00 54.51 H new ATOM 0 HA ILE A 92 -12.393 2.057 -15.832 1.00 54.12 H new ATOM 0 HB ILE A 92 -11.157 -0.028 -17.683 1.00 1.50 H new ATOM 0 HG12 ILE A 92 -13.417 1.451 -18.735 1.00 54.22 H new ATOM 0 HG13 ILE A 92 -12.169 2.566 -18.213 1.00 54.22 H new ATOM 0 HG21 ILE A 92 -13.459 -0.873 -17.919 1.00 24.10 H new ATOM 0 HG22 ILE A 92 -12.883 -0.996 -16.240 1.00 24.10 H new ATOM 0 HG23 ILE A 92 -14.012 0.300 -16.701 1.00 24.10 H new ATOM 0 HD11 ILE A 92 -11.877 1.964 -20.566 1.00 24.34 H new ATOM 0 HD12 ILE A 92 -10.507 1.374 -19.596 1.00 24.34 H new ATOM 0 HD13 ILE A 92 -11.774 0.242 -20.126 1.00 24.34 H new ATOM 1471 N ASP A 93 -12.116 0.416 -13.987 1.00 5.03 N ATOM 1472 CA ASP A 93 -11.927 -0.463 -12.840 1.00 1.41 C ATOM 1473 C ASP A 93 -13.059 -1.481 -12.742 1.00 25.22 C ATOM 1474 O ASP A 93 -13.722 -1.593 -11.711 1.00 14.42 O ATOM 1475 CB ASP A 93 -11.850 0.356 -11.550 1.00 50.14 C ATOM 1476 CG ASP A 93 -11.110 1.665 -11.740 1.00 12.43 C ATOM 1477 OD1 ASP A 93 -9.874 1.628 -11.920 1.00 3.43 O ATOM 1478 OD2 ASP A 93 -11.766 2.728 -11.708 1.00 51.34 O ATOM 0 H ASP A 93 -12.956 0.992 -13.943 1.00 5.03 H new ATOM 0 HA ASP A 93 -10.989 -1.001 -12.977 1.00 1.41 H new ATOM 0 HB2 ASP A 93 -12.859 0.561 -11.192 1.00 50.14 H new ATOM 0 HB3 ASP A 93 -11.351 -0.232 -10.779 1.00 50.14 H new ATOM 1483 N VAL A 94 -13.277 -2.221 -13.824 1.00 24.41 N ATOM 1484 CA VAL A 94 -14.330 -3.230 -13.863 1.00 15.44 C ATOM 1485 C VAL A 94 -14.229 -4.174 -12.670 1.00 54.24 C ATOM 1486 O VAL A 94 -13.200 -4.233 -11.995 1.00 62.30 O ATOM 1487 CB VAL A 94 -14.271 -4.054 -15.162 1.00 31.34 C ATOM 1488 CG1 VAL A 94 -14.514 -3.163 -16.371 1.00 5.15 C ATOM 1489 CG2 VAL A 94 -12.935 -4.770 -15.278 1.00 70.13 C ATOM 0 H VAL A 94 -12.738 -2.141 -14.686 1.00 24.41 H new ATOM 0 HA VAL A 94 -15.280 -2.698 -13.823 1.00 15.44 H new ATOM 0 HB VAL A 94 -15.059 -4.806 -15.131 1.00 31.34 H new ATOM 0 HG11 VAL A 94 -14.469 -3.763 -17.280 1.00 5.15 H new ATOM 0 HG12 VAL A 94 -15.498 -2.700 -16.290 1.00 5.15 H new ATOM 0 HG13 VAL A 94 -13.750 -2.386 -16.410 1.00 5.15 H new ATOM 0 HG21 VAL A 94 -12.911 -5.348 -16.202 1.00 70.13 H new ATOM 0 HG22 VAL A 94 -12.129 -4.037 -15.287 1.00 70.13 H new ATOM 0 HG23 VAL A 94 -12.806 -5.440 -14.428 1.00 70.13 H new ATOM 1499 N LYS A 95 -15.304 -4.912 -12.414 1.00 11.32 N ATOM 1500 CA LYS A 95 -15.337 -5.856 -11.303 1.00 22.31 C ATOM 1501 C LYS A 95 -14.972 -7.261 -11.771 1.00 22.43 C ATOM 1502 O LYS A 95 -14.298 -8.007 -11.061 1.00 4.12 O ATOM 1503 CB LYS A 95 -16.725 -5.867 -10.658 1.00 52.52 C ATOM 1504 CG LYS A 95 -17.264 -4.480 -10.352 1.00 30.03 C ATOM 1505 CD LYS A 95 -18.420 -4.536 -9.367 1.00 54.44 C ATOM 1506 CE LYS A 95 -18.646 -3.189 -8.697 1.00 41.22 C ATOM 1507 NZ LYS A 95 -18.881 -3.331 -7.233 1.00 2.31 N ATOM 0 H LYS A 95 -16.164 -4.875 -12.961 1.00 11.32 H new ATOM 0 HA LYS A 95 -14.602 -5.536 -10.565 1.00 22.31 H new ATOM 0 HB2 LYS A 95 -17.421 -6.380 -11.322 1.00 52.52 H new ATOM 0 HB3 LYS A 95 -16.683 -6.443 -9.734 1.00 52.52 H new ATOM 0 HG2 LYS A 95 -16.466 -3.861 -9.943 1.00 30.03 H new ATOM 0 HG3 LYS A 95 -17.594 -4.005 -11.276 1.00 30.03 H new ATOM 0 HD2 LYS A 95 -19.328 -4.842 -9.887 1.00 54.44 H new ATOM 0 HD3 LYS A 95 -18.217 -5.292 -8.608 1.00 54.44 H new ATOM 0 HE2 LYS A 95 -17.780 -2.549 -8.866 1.00 41.22 H new ATOM 0 HE3 LYS A 95 -19.502 -2.694 -9.156 1.00 41.22 H new ATOM 0 HZ1 LYS A 95 -19.031 -2.392 -6.813 1.00 2.31 H new ATOM 0 HZ2 LYS A 95 -19.723 -3.920 -7.072 1.00 2.31 H new ATOM 0 HZ3 LYS A 95 -18.054 -3.780 -6.791 1.00 2.31 H new ATOM 1521 N ASP A 96 -15.420 -7.614 -12.972 1.00 54.23 N ATOM 1522 CA ASP A 96 -15.138 -8.928 -13.537 1.00 41.44 C ATOM 1523 C ASP A 96 -14.568 -8.804 -14.946 1.00 30.23 C ATOM 1524 O ASP A 96 -14.395 -7.699 -15.462 1.00 74.13 O ATOM 1525 CB ASP A 96 -16.408 -9.781 -13.559 1.00 32.43 C ATOM 1526 CG ASP A 96 -17.649 -8.962 -13.858 1.00 72.20 C ATOM 1527 OD1 ASP A 96 -17.787 -8.491 -15.006 1.00 62.41 O ATOM 1528 OD2 ASP A 96 -18.481 -8.792 -12.944 1.00 42.44 O ATOM 0 H ASP A 96 -15.980 -7.008 -13.572 1.00 54.23 H new ATOM 0 HA ASP A 96 -14.394 -9.415 -12.906 1.00 41.44 H new ATOM 0 HB2 ASP A 96 -16.303 -10.564 -14.310 1.00 32.43 H new ATOM 0 HB3 ASP A 96 -16.526 -10.277 -12.595 1.00 32.43 H new ATOM 1533 N THR A 97 -14.278 -9.944 -15.564 1.00 32.41 N ATOM 1534 CA THR A 97 -13.725 -9.962 -16.914 1.00 43.30 C ATOM 1535 C THR A 97 -14.818 -9.759 -17.958 1.00 15.44 C ATOM 1536 O THR A 97 -14.556 -9.273 -19.058 1.00 30.11 O ATOM 1537 CB THR A 97 -12.995 -11.287 -17.203 1.00 64.23 C ATOM 1538 OG1 THR A 97 -11.940 -11.483 -16.255 1.00 34.33 O ATOM 1539 CG2 THR A 97 -12.425 -11.293 -18.614 1.00 71.14 C ATOM 0 H THR A 97 -14.416 -10.867 -15.152 1.00 32.41 H new ATOM 0 HA THR A 97 -13.011 -9.141 -16.975 1.00 43.30 H new ATOM 0 HB THR A 97 -13.715 -12.100 -17.115 1.00 64.23 H new ATOM 0 HG1 THR A 97 -11.761 -12.442 -16.159 1.00 34.33 H new ATOM 0 HG21 THR A 97 -11.914 -12.238 -18.796 1.00 71.14 H new ATOM 0 HG22 THR A 97 -13.235 -11.174 -19.334 1.00 71.14 H new ATOM 0 HG23 THR A 97 -11.718 -10.471 -18.724 1.00 71.14 H new ATOM 1547 N LYS A 98 -16.043 -10.132 -17.605 1.00 31.21 N ATOM 1548 CA LYS A 98 -17.177 -9.988 -18.511 1.00 13.31 C ATOM 1549 C LYS A 98 -17.466 -8.517 -18.792 1.00 11.42 C ATOM 1550 O LYS A 98 -17.733 -8.135 -19.931 1.00 32.11 O ATOM 1551 CB LYS A 98 -18.419 -10.658 -17.917 1.00 54.12 C ATOM 1552 CG LYS A 98 -19.550 -10.834 -18.915 1.00 21.21 C ATOM 1553 CD LYS A 98 -20.691 -9.868 -18.640 1.00 13.12 C ATOM 1554 CE LYS A 98 -21.856 -10.562 -17.951 1.00 54.02 C ATOM 1555 NZ LYS A 98 -22.843 -9.586 -17.414 1.00 44.44 N ATOM 0 H LYS A 98 -16.276 -10.536 -16.698 1.00 31.21 H new ATOM 0 HA LYS A 98 -16.922 -10.476 -19.452 1.00 13.31 H new ATOM 0 HB2 LYS A 98 -18.140 -11.634 -17.520 1.00 54.12 H new ATOM 0 HB3 LYS A 98 -18.776 -10.063 -17.077 1.00 54.12 H new ATOM 0 HG2 LYS A 98 -19.173 -10.675 -19.925 1.00 21.21 H new ATOM 0 HG3 LYS A 98 -19.920 -11.858 -18.870 1.00 21.21 H new ATOM 0 HD2 LYS A 98 -20.333 -9.049 -18.016 1.00 13.12 H new ATOM 0 HD3 LYS A 98 -21.031 -9.429 -19.578 1.00 13.12 H new ATOM 0 HE2 LYS A 98 -22.351 -11.228 -18.657 1.00 54.02 H new ATOM 0 HE3 LYS A 98 -21.480 -11.183 -17.138 1.00 54.02 H new ATOM 0 HZ1 LYS A 98 -23.622 -10.098 -16.952 1.00 44.44 H new ATOM 0 HZ2 LYS A 98 -22.377 -8.966 -16.721 1.00 44.44 H new ATOM 0 HZ3 LYS A 98 -23.221 -9.011 -18.193 1.00 44.44 H new ATOM 1569 N GLU A 99 -17.409 -7.697 -17.747 1.00 35.34 N ATOM 1570 CA GLU A 99 -17.664 -6.268 -17.884 1.00 52.22 C ATOM 1571 C GLU A 99 -16.562 -5.593 -18.695 1.00 52.40 C ATOM 1572 O GLU A 99 -16.835 -4.797 -19.592 1.00 3.12 O ATOM 1573 CB GLU A 99 -17.771 -5.612 -16.505 1.00 24.31 C ATOM 1574 CG GLU A 99 -18.151 -4.142 -16.558 1.00 72.02 C ATOM 1575 CD GLU A 99 -19.129 -3.752 -15.467 1.00 74.15 C ATOM 1576 OE1 GLU A 99 -18.673 -3.366 -14.370 1.00 73.31 O ATOM 1577 OE2 GLU A 99 -20.351 -3.833 -15.710 1.00 65.20 O ATOM 0 H GLU A 99 -17.189 -7.998 -16.797 1.00 35.34 H new ATOM 0 HA GLU A 99 -18.609 -6.143 -18.413 1.00 52.22 H new ATOM 0 HB2 GLU A 99 -18.512 -6.149 -15.913 1.00 24.31 H new ATOM 0 HB3 GLU A 99 -16.816 -5.713 -15.989 1.00 24.31 H new ATOM 0 HG2 GLU A 99 -17.251 -3.534 -16.468 1.00 72.02 H new ATOM 0 HG3 GLU A 99 -18.590 -3.919 -17.531 1.00 72.02 H new ATOM 1584 N ALA A 100 -15.314 -5.918 -18.371 1.00 21.01 N ATOM 1585 CA ALA A 100 -14.170 -5.345 -19.070 1.00 60.01 C ATOM 1586 C ALA A 100 -14.187 -5.719 -20.549 1.00 13.10 C ATOM 1587 O ALA A 100 -13.628 -5.008 -21.385 1.00 52.24 O ATOM 1588 CB ALA A 100 -12.872 -5.804 -18.422 1.00 61.34 C ATOM 0 H ALA A 100 -15.070 -6.575 -17.629 1.00 21.01 H new ATOM 0 HA ALA A 100 -14.236 -4.260 -18.996 1.00 60.01 H new ATOM 0 HB1 ALA A 100 -12.026 -5.369 -18.954 1.00 61.34 H new ATOM 0 HB2 ALA A 100 -12.851 -5.481 -17.381 1.00 61.34 H new ATOM 0 HB3 ALA A 100 -12.808 -6.891 -18.466 1.00 61.34 H new ATOM 1594 N LEU A 101 -14.831 -6.837 -20.864 1.00 22.34 N ATOM 1595 CA LEU A 101 -14.920 -7.305 -22.244 1.00 53.41 C ATOM 1596 C LEU A 101 -15.936 -6.485 -23.032 1.00 5.04 C ATOM 1597 O LEU A 101 -15.904 -6.455 -24.262 1.00 63.31 O ATOM 1598 CB LEU A 101 -15.306 -8.785 -22.276 1.00 52.35 C ATOM 1599 CG LEU A 101 -14.602 -9.638 -23.332 1.00 53.40 C ATOM 1600 CD1 LEU A 101 -14.964 -9.164 -24.731 1.00 3.35 C ATOM 1601 CD2 LEU A 101 -13.094 -9.602 -23.129 1.00 62.10 C ATOM 0 H LEU A 101 -15.299 -7.436 -20.184 1.00 22.34 H new ATOM 0 HA LEU A 101 -13.942 -7.181 -22.709 1.00 53.41 H new ATOM 0 HB2 LEU A 101 -15.102 -9.215 -21.295 1.00 52.35 H new ATOM 0 HB3 LEU A 101 -16.382 -8.856 -22.438 1.00 52.35 H new ATOM 0 HG LEU A 101 -14.939 -10.669 -23.221 1.00 53.40 H new ATOM 0 HD11 LEU A 101 -14.453 -9.783 -25.468 1.00 3.35 H new ATOM 0 HD12 LEU A 101 -16.042 -9.243 -24.874 1.00 3.35 H new ATOM 0 HD13 LEU A 101 -14.657 -8.125 -24.854 1.00 3.35 H new ATOM 0 HD21 LEU A 101 -12.610 -10.215 -23.890 1.00 62.10 H new ATOM 0 HD22 LEU A 101 -12.740 -8.574 -23.211 1.00 62.10 H new ATOM 0 HD23 LEU A 101 -12.851 -9.991 -22.140 1.00 62.10 H new ATOM 1613 N ASP A 102 -16.836 -5.820 -22.316 1.00 42.42 N ATOM 1614 CA ASP A 102 -17.861 -4.998 -22.948 1.00 51.31 C ATOM 1615 C ASP A 102 -17.374 -3.562 -23.122 1.00 72.33 C ATOM 1616 O ASP A 102 -17.609 -2.936 -24.156 1.00 44.24 O ATOM 1617 CB ASP A 102 -19.145 -5.016 -22.117 1.00 72.52 C ATOM 1618 CG ASP A 102 -20.386 -4.819 -22.966 1.00 23.40 C ATOM 1619 OD1 ASP A 102 -20.439 -3.823 -23.717 1.00 12.04 O ATOM 1620 OD2 ASP A 102 -21.303 -5.662 -22.880 1.00 25.01 O ATOM 0 H ASP A 102 -16.876 -5.834 -21.297 1.00 42.42 H new ATOM 0 HA ASP A 102 -18.070 -5.415 -23.933 1.00 51.31 H new ATOM 0 HB2 ASP A 102 -19.218 -5.965 -21.587 1.00 72.52 H new ATOM 0 HB3 ASP A 102 -19.097 -4.232 -21.362 1.00 72.52 H new ATOM 1625 N LYS A 103 -16.694 -3.046 -22.104 1.00 1.44 N ATOM 1626 CA LYS A 103 -16.174 -1.685 -22.142 1.00 73.41 C ATOM 1627 C LYS A 103 -14.994 -1.580 -23.104 1.00 45.22 C ATOM 1628 O LYS A 103 -14.723 -0.513 -23.655 1.00 41.34 O ATOM 1629 CB LYS A 103 -15.744 -1.240 -20.742 1.00 44.31 C ATOM 1630 CG LYS A 103 -16.816 -0.468 -19.994 1.00 14.21 C ATOM 1631 CD LYS A 103 -16.357 0.942 -19.663 1.00 0.42 C ATOM 1632 CE LYS A 103 -17.315 1.628 -18.699 1.00 22.03 C ATOM 1633 NZ LYS A 103 -16.661 2.753 -17.974 1.00 23.31 N ATOM 0 H LYS A 103 -16.490 -3.551 -21.241 1.00 1.44 H new ATOM 0 HA LYS A 103 -16.970 -1.030 -22.496 1.00 73.41 H new ATOM 0 HB2 LYS A 103 -15.468 -2.119 -20.159 1.00 44.31 H new ATOM 0 HB3 LYS A 103 -14.852 -0.619 -20.825 1.00 44.31 H new ATOM 0 HG2 LYS A 103 -17.723 -0.425 -20.597 1.00 14.21 H new ATOM 0 HG3 LYS A 103 -17.070 -0.995 -19.074 1.00 14.21 H new ATOM 0 HD2 LYS A 103 -15.360 0.908 -19.224 1.00 0.42 H new ATOM 0 HD3 LYS A 103 -16.282 1.526 -20.580 1.00 0.42 H new ATOM 0 HE2 LYS A 103 -18.178 2.003 -19.250 1.00 22.03 H new ATOM 0 HE3 LYS A 103 -17.689 0.900 -17.979 1.00 22.03 H new ATOM 0 HZ1 LYS A 103 -17.346 3.194 -17.328 1.00 23.31 H new ATOM 0 HZ2 LYS A 103 -15.853 2.391 -17.428 1.00 23.31 H new ATOM 0 HZ3 LYS A 103 -16.327 3.460 -18.659 1.00 23.31 H new ATOM 1647 N ILE A 104 -14.299 -2.696 -23.304 1.00 14.53 N ATOM 1648 CA ILE A 104 -13.151 -2.729 -24.201 1.00 3.01 C ATOM 1649 C ILE A 104 -13.567 -2.427 -25.636 1.00 74.31 C ATOM 1650 O ILE A 104 -12.777 -1.910 -26.426 1.00 11.43 O ATOM 1651 CB ILE A 104 -12.444 -4.097 -24.159 1.00 34.33 C ATOM 1652 CG1 ILE A 104 -11.100 -4.023 -24.888 1.00 14.21 C ATOM 1653 CG2 ILE A 104 -13.328 -5.169 -24.778 1.00 3.25 C ATOM 1654 CD1 ILE A 104 -9.906 -4.111 -23.963 1.00 45.35 C ATOM 0 H ILE A 104 -14.511 -3.588 -22.857 1.00 14.53 H new ATOM 0 HA ILE A 104 -12.458 -1.961 -23.857 1.00 3.01 H new ATOM 0 HB ILE A 104 -12.259 -4.362 -23.118 1.00 34.33 H new ATOM 0 HG12 ILE A 104 -11.046 -4.832 -25.616 1.00 14.21 H new ATOM 0 HG13 ILE A 104 -11.049 -3.088 -25.446 1.00 14.21 H new ATOM 0 HG21 ILE A 104 -12.815 -6.130 -24.741 1.00 3.25 H new ATOM 0 HG22 ILE A 104 -14.263 -5.235 -24.222 1.00 3.25 H new ATOM 0 HG23 ILE A 104 -13.541 -4.911 -25.815 1.00 3.25 H new ATOM 0 HD11 ILE A 104 -8.988 -4.052 -24.547 1.00 45.35 H new ATOM 0 HD12 ILE A 104 -9.936 -3.287 -23.250 1.00 45.35 H new ATOM 0 HD13 ILE A 104 -9.933 -5.058 -23.424 1.00 45.35 H new