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 29 TYR OH : rot 176:sc= 1.22 USER MOD Set 1.2: A 97 THR OG1 : rot 122:sc= 0.602 USER MOD Single : A 9 SER OG : rot 180:sc= -0.391 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= -0.134 K(o=-0.13,f=-2.3!) 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= -0.132 K(o=-0.13,f=-6.4!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.107 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 53 THR OG1 : rot -26:sc= 1.21 USER MOD Single : A 54 SER OG : rot 180:sc= -0.011 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.46 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.103 K(o=-0.1,f=-0.84) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 107:sc= 0.0382 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0663 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0876 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.764 USER MOD Single : A 80 ASN : amide:sc= -3.81! C(o=-3.8!,f=-4.9!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.0151 USER MOD Single : A 87 CYS SG : rot 73:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= 0.0394 K(o=0.65,f=-4.1!) USER MOD Single : A 90 GLN : amide:sc= -0.442 X(o=-0.44,f=0) 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 4.556 -5.851 -13.812 1.00 52.24 N ATOM 64 CA VAL A 7 3.382 -5.541 -14.618 1.00 34.21 C ATOM 65 C VAL A 7 2.444 -4.591 -13.881 1.00 15.24 C ATOM 66 O VAL A 7 2.264 -3.441 -14.285 1.00 71.02 O ATOM 67 CB VAL A 7 2.608 -6.817 -14.997 1.00 11.33 C ATOM 68 CG1 VAL A 7 1.401 -6.475 -15.856 1.00 4.15 C ATOM 69 CG2 VAL A 7 3.521 -7.800 -15.714 1.00 40.22 C ATOM 0 HA VAL A 7 3.741 -5.059 -15.527 1.00 34.21 H new ATOM 0 HB VAL A 7 2.250 -7.289 -14.082 1.00 11.33 H new ATOM 0 HG11 VAL A 7 0.867 -7.390 -16.114 1.00 4.15 H new ATOM 0 HG12 VAL A 7 0.737 -5.811 -15.303 1.00 4.15 H new ATOM 0 HG13 VAL A 7 1.732 -5.979 -16.768 1.00 4.15 H new ATOM 0 HG21 VAL A 7 2.958 -8.696 -15.975 1.00 40.22 H new ATOM 0 HG22 VAL A 7 3.910 -7.339 -16.622 1.00 40.22 H new ATOM 0 HG23 VAL A 7 4.350 -8.070 -15.060 1.00 40.22 H new ATOM 79 N LEU A 8 1.848 -5.079 -12.799 1.00 40.15 N ATOM 80 CA LEU A 8 0.928 -4.273 -12.003 1.00 23.25 C ATOM 81 C LEU A 8 1.633 -3.685 -10.785 1.00 33.05 C ATOM 82 O LEU A 8 2.294 -4.401 -10.033 1.00 74.12 O ATOM 83 CB LEU A 8 -0.266 -5.119 -11.558 1.00 52.31 C ATOM 84 CG LEU A 8 -1.209 -5.587 -12.666 1.00 20.32 C ATOM 85 CD1 LEU A 8 -2.366 -6.384 -12.084 1.00 75.24 C ATOM 86 CD2 LEU A 8 -1.727 -4.398 -13.463 1.00 22.40 C ATOM 0 H LEU A 8 1.985 -6.028 -12.452 1.00 40.15 H new ATOM 0 HA LEU A 8 0.572 -3.451 -12.624 1.00 23.25 H new ATOM 0 HB2 LEU A 8 0.112 -5.998 -11.035 1.00 52.31 H new ATOM 0 HB3 LEU A 8 -0.844 -4.543 -10.836 1.00 52.31 H new ATOM 0 HG LEU A 8 -0.651 -6.237 -13.340 1.00 20.32 H new ATOM 0 HD11 LEU A 8 -3.026 -6.708 -12.889 1.00 75.24 H new ATOM 0 HD12 LEU A 8 -1.979 -7.257 -11.559 1.00 75.24 H new ATOM 0 HD13 LEU A 8 -2.924 -5.759 -11.387 1.00 75.24 H new ATOM 0 HD21 LEU A 8 -2.397 -4.750 -14.248 1.00 22.40 H new ATOM 0 HD22 LEU A 8 -2.268 -3.723 -12.800 1.00 22.40 H new ATOM 0 HD23 LEU A 8 -0.888 -3.868 -13.913 1.00 22.40 H new ATOM 98 N SER A 9 1.483 -2.378 -10.595 1.00 63.11 N ATOM 99 CA SER A 9 2.106 -1.693 -9.469 1.00 60.02 C ATOM 100 C SER A 9 1.397 -2.038 -8.164 1.00 73.41 C ATOM 101 O SER A 9 0.504 -2.884 -8.134 1.00 73.13 O ATOM 102 CB SER A 9 2.084 -0.179 -9.690 1.00 70.12 C ATOM 103 OG SER A 9 0.856 0.382 -9.259 1.00 64.23 O ATOM 0 H SER A 9 0.935 -1.772 -11.206 1.00 63.11 H new ATOM 0 HA SER A 9 3.141 -2.028 -9.399 1.00 60.02 H new ATOM 0 HB2 SER A 9 2.909 0.283 -9.147 1.00 70.12 H new ATOM 0 HB3 SER A 9 2.236 0.040 -10.747 1.00 70.12 H new ATOM 0 HG SER A 9 0.868 1.350 -9.409 1.00 64.23 H new ATOM 109 N GLY A 10 1.802 -1.375 -7.084 1.00 65.13 N ATOM 110 CA GLY A 10 1.195 -1.625 -5.789 1.00 61.33 C ATOM 111 C GLY A 10 -0.306 -1.418 -5.803 1.00 14.11 C ATOM 112 O GLY A 10 -1.063 -2.279 -5.358 1.00 21.30 O ATOM 0 H GLY A 10 2.539 -0.670 -7.083 1.00 65.13 H new ATOM 0 HA2 GLY A 10 1.415 -2.647 -5.479 1.00 61.33 H new ATOM 0 HA3 GLY A 10 1.643 -0.964 -5.047 1.00 61.33 H new ATOM 116 N GLY A 11 -0.739 -0.269 -6.314 1.00 64.13 N ATOM 117 CA GLY A 11 -2.158 0.029 -6.372 1.00 74.31 C ATOM 118 C GLY A 11 -2.907 -0.898 -7.308 1.00 4.42 C ATOM 119 O GLY A 11 -3.996 -1.369 -6.983 1.00 4.12 O ATOM 0 H GLY A 11 -0.132 0.460 -6.689 1.00 64.13 H new ATOM 0 HA2 GLY A 11 -2.584 -0.048 -5.372 1.00 74.31 H new ATOM 0 HA3 GLY A 11 -2.297 1.060 -6.698 1.00 74.31 H new ATOM 123 N GLU A 12 -2.323 -1.159 -8.473 1.00 31.04 N ATOM 124 CA GLU A 12 -2.945 -2.035 -9.460 1.00 51.11 C ATOM 125 C GLU A 12 -3.040 -3.465 -8.935 1.00 52.13 C ATOM 126 O GLU A 12 -3.971 -4.200 -9.267 1.00 60.32 O ATOM 127 CB GLU A 12 -2.152 -2.010 -10.768 1.00 43.43 C ATOM 128 CG GLU A 12 -1.770 -0.613 -11.222 1.00 31.22 C ATOM 129 CD GLU A 12 -1.149 -0.599 -12.606 1.00 74.50 C ATOM 130 OE1 GLU A 12 0.039 -0.963 -12.726 1.00 61.03 O ATOM 131 OE2 GLU A 12 -1.851 -0.222 -13.568 1.00 44.24 O ATOM 0 H GLU A 12 -1.421 -0.777 -8.757 1.00 31.04 H new ATOM 0 HA GLU A 12 -3.954 -1.669 -9.649 1.00 51.11 H new ATOM 0 HB2 GLU A 12 -1.246 -2.603 -10.645 1.00 43.43 H new ATOM 0 HB3 GLU A 12 -2.742 -2.488 -11.550 1.00 43.43 H new ATOM 0 HG2 GLU A 12 -2.657 0.021 -11.219 1.00 31.22 H new ATOM 0 HG3 GLU A 12 -1.068 -0.182 -10.508 1.00 31.22 H new ATOM 138 N LEU A 13 -2.070 -3.853 -8.115 1.00 62.31 N ATOM 139 CA LEU A 13 -2.041 -5.195 -7.544 1.00 34.40 C ATOM 140 C LEU A 13 -3.238 -5.420 -6.624 1.00 65.44 C ATOM 141 O LEU A 13 -3.893 -6.461 -6.685 1.00 20.22 O ATOM 142 CB LEU A 13 -0.740 -5.414 -6.770 1.00 63.41 C ATOM 143 CG LEU A 13 -0.394 -6.866 -6.436 1.00 24.34 C ATOM 144 CD1 LEU A 13 -0.099 -7.650 -7.706 1.00 21.45 C ATOM 145 CD2 LEU A 13 0.790 -6.926 -5.483 1.00 61.11 C ATOM 0 H LEU A 13 -1.293 -3.257 -7.830 1.00 62.31 H new ATOM 0 HA LEU A 13 -2.094 -5.913 -8.362 1.00 34.40 H new ATOM 0 HB2 LEU A 13 0.080 -4.990 -7.350 1.00 63.41 H new ATOM 0 HB3 LEU A 13 -0.796 -4.851 -5.838 1.00 63.41 H new ATOM 0 HG LEU A 13 -1.254 -7.321 -5.944 1.00 24.34 H new ATOM 0 HD11 LEU A 13 0.145 -8.681 -7.449 1.00 21.45 H new ATOM 0 HD12 LEU A 13 -0.975 -7.636 -8.354 1.00 21.45 H new ATOM 0 HD13 LEU A 13 0.745 -7.196 -8.226 1.00 21.45 H new ATOM 0 HD21 LEU A 13 1.022 -7.967 -5.256 1.00 61.11 H new ATOM 0 HD22 LEU A 13 1.656 -6.454 -5.948 1.00 61.11 H new ATOM 0 HD23 LEU A 13 0.542 -6.400 -4.561 1.00 61.11 H new ATOM 157 N ASP A 14 -3.516 -4.438 -5.774 1.00 1.50 N ATOM 158 CA ASP A 14 -4.635 -4.529 -4.843 1.00 73.53 C ATOM 159 C ASP A 14 -5.950 -4.722 -5.591 1.00 34.04 C ATOM 160 O ASP A 14 -6.683 -5.679 -5.342 1.00 33.43 O ATOM 161 CB ASP A 14 -4.707 -3.270 -3.976 1.00 75.31 C ATOM 162 CG ASP A 14 -3.990 -3.437 -2.651 1.00 43.20 C ATOM 163 OD1 ASP A 14 -3.135 -4.343 -2.549 1.00 53.10 O ATOM 164 OD2 ASP A 14 -4.282 -2.662 -1.717 1.00 72.32 O ATOM 0 H ASP A 14 -2.983 -3.571 -5.710 1.00 1.50 H new ATOM 0 HA ASP A 14 -4.473 -5.395 -4.201 1.00 73.53 H new ATOM 0 HB2 ASP A 14 -4.269 -2.433 -4.520 1.00 75.31 H new ATOM 0 HB3 ASP A 14 -5.751 -3.019 -3.791 1.00 75.31 H new ATOM 169 N LYS A 15 -6.244 -3.806 -6.508 1.00 63.45 N ATOM 170 CA LYS A 15 -7.470 -3.875 -7.293 1.00 64.41 C ATOM 171 C LYS A 15 -7.501 -5.141 -8.143 1.00 1.33 C ATOM 172 O LYS A 15 -8.554 -5.756 -8.318 1.00 64.04 O ATOM 173 CB LYS A 15 -7.594 -2.642 -8.191 1.00 24.33 C ATOM 174 CG LYS A 15 -8.458 -1.542 -7.599 1.00 22.01 C ATOM 175 CD LYS A 15 -9.934 -1.787 -7.866 1.00 30.13 C ATOM 176 CE LYS A 15 -10.797 -1.313 -6.706 1.00 71.42 C ATOM 177 NZ LYS A 15 -11.759 -0.257 -7.127 1.00 50.51 N ATOM 0 H LYS A 15 -5.649 -3.007 -6.725 1.00 63.45 H new ATOM 0 HA LYS A 15 -8.313 -3.901 -6.603 1.00 64.41 H new ATOM 0 HB2 LYS A 15 -6.598 -2.244 -8.387 1.00 24.33 H new ATOM 0 HB3 LYS A 15 -8.012 -2.943 -9.152 1.00 24.33 H new ATOM 0 HG2 LYS A 15 -8.287 -1.482 -6.524 1.00 22.01 H new ATOM 0 HG3 LYS A 15 -8.165 -0.581 -8.022 1.00 22.01 H new ATOM 0 HD2 LYS A 15 -10.231 -1.268 -8.777 1.00 30.13 H new ATOM 0 HD3 LYS A 15 -10.103 -2.850 -8.035 1.00 30.13 H new ATOM 0 HE2 LYS A 15 -11.345 -2.159 -6.291 1.00 71.42 H new ATOM 0 HE3 LYS A 15 -10.158 -0.927 -5.912 1.00 71.42 H new ATOM 0 HZ1 LYS A 15 -12.329 0.040 -6.309 1.00 50.51 H new ATOM 0 HZ2 LYS A 15 -11.236 0.561 -7.499 1.00 50.51 H new ATOM 0 HZ3 LYS A 15 -12.386 -0.633 -7.867 1.00 50.51 H new ATOM 191 N TRP A 16 -6.343 -5.524 -8.667 1.00 25.24 N ATOM 192 CA TRP A 16 -6.238 -6.719 -9.498 1.00 13.14 C ATOM 193 C TRP A 16 -6.778 -7.941 -8.763 1.00 25.04 C ATOM 194 O TRP A 16 -7.434 -8.796 -9.361 1.00 62.45 O ATOM 195 CB TRP A 16 -4.785 -6.955 -9.907 1.00 62.44 C ATOM 196 CG TRP A 16 -4.571 -8.258 -10.618 1.00 41.33 C ATOM 197 CD1 TRP A 16 -4.053 -9.406 -10.087 1.00 14.11 C ATOM 198 CD2 TRP A 16 -4.867 -8.546 -11.988 1.00 74.03 C ATOM 199 NE1 TRP A 16 -4.011 -10.389 -11.045 1.00 2.32 N ATOM 200 CE2 TRP A 16 -4.505 -9.886 -12.220 1.00 44.54 C ATOM 201 CE3 TRP A 16 -5.405 -7.802 -13.042 1.00 55.24 C ATOM 202 CZ2 TRP A 16 -4.664 -10.496 -13.462 1.00 43.54 C ATOM 203 CZ3 TRP A 16 -5.562 -8.408 -14.273 1.00 22.44 C ATOM 204 CH2 TRP A 16 -5.192 -9.744 -14.475 1.00 51.11 C ATOM 0 H TRP A 16 -5.463 -5.025 -8.532 1.00 25.24 H new ATOM 0 HA TRP A 16 -6.838 -6.562 -10.394 1.00 13.14 H new ATOM 0 HB2 TRP A 16 -4.460 -6.139 -10.553 1.00 62.44 H new ATOM 0 HB3 TRP A 16 -4.156 -6.927 -9.017 1.00 62.44 H new ATOM 0 HD1 TRP A 16 -3.725 -9.523 -9.065 1.00 14.11 H new ATOM 0 HE1 TRP A 16 -3.668 -11.339 -10.905 1.00 2.32 H new ATOM 0 HE3 TRP A 16 -5.693 -6.771 -12.896 1.00 55.24 H new ATOM 0 HZ2 TRP A 16 -4.380 -11.526 -13.620 1.00 43.54 H new ATOM 0 HZ3 TRP A 16 -5.977 -7.842 -15.094 1.00 22.44 H new ATOM 0 HH2 TRP A 16 -5.326 -10.189 -15.450 1.00 51.11 H new ATOM 215 N GLU A 17 -6.499 -8.018 -7.466 1.00 24.15 N ATOM 216 CA GLU A 17 -6.957 -9.138 -6.652 1.00 21.32 C ATOM 217 C GLU A 17 -8.451 -9.028 -6.368 1.00 15.23 C ATOM 218 O GLU A 17 -9.093 -10.000 -5.965 1.00 42.02 O ATOM 219 CB GLU A 17 -6.179 -9.191 -5.336 1.00 42.21 C ATOM 220 CG GLU A 17 -4.776 -9.757 -5.480 1.00 42.20 C ATOM 221 CD GLU A 17 -4.205 -10.244 -4.162 1.00 3.13 C ATOM 222 OE1 GLU A 17 -4.509 -11.391 -3.772 1.00 33.24 O ATOM 223 OE2 GLU A 17 -3.454 -9.479 -3.521 1.00 24.23 O ATOM 0 H GLU A 17 -5.959 -7.319 -6.956 1.00 24.15 H new ATOM 0 HA GLU A 17 -6.778 -10.057 -7.209 1.00 21.32 H new ATOM 0 HB2 GLU A 17 -6.115 -8.185 -4.921 1.00 42.21 H new ATOM 0 HB3 GLU A 17 -6.734 -9.797 -4.620 1.00 42.21 H new ATOM 0 HG2 GLU A 17 -4.793 -10.583 -6.192 1.00 42.20 H new ATOM 0 HG3 GLU A 17 -4.120 -8.992 -5.895 1.00 42.20 H new ATOM 230 N LYS A 18 -9.002 -7.838 -6.580 1.00 11.21 N ATOM 231 CA LYS A 18 -10.422 -7.599 -6.348 1.00 73.11 C ATOM 232 C LYS A 18 -11.217 -7.746 -7.641 1.00 13.13 C ATOM 233 O LYS A 18 -12.223 -7.064 -7.843 1.00 61.41 O ATOM 234 CB LYS A 18 -10.636 -6.202 -5.761 1.00 74.14 C ATOM 235 CG LYS A 18 -10.116 -6.051 -4.342 1.00 42.25 C ATOM 236 CD LYS A 18 -11.156 -6.476 -3.319 1.00 53.43 C ATOM 237 CE LYS A 18 -11.626 -5.297 -2.480 1.00 20.02 C ATOM 238 NZ LYS A 18 -10.621 -4.914 -1.449 1.00 24.40 N ATOM 0 H LYS A 18 -8.487 -7.023 -6.912 1.00 11.21 H new ATOM 0 HA LYS A 18 -10.779 -8.344 -5.637 1.00 73.11 H new ATOM 0 HB2 LYS A 18 -10.142 -5.469 -6.400 1.00 74.14 H new ATOM 0 HB3 LYS A 18 -11.701 -5.971 -5.775 1.00 74.14 H new ATOM 0 HG2 LYS A 18 -9.215 -6.652 -4.218 1.00 42.25 H new ATOM 0 HG3 LYS A 18 -9.834 -5.013 -4.166 1.00 42.25 H new ATOM 0 HD2 LYS A 18 -12.009 -6.924 -3.830 1.00 53.43 H new ATOM 0 HD3 LYS A 18 -10.736 -7.243 -2.668 1.00 53.43 H new ATOM 0 HE2 LYS A 18 -11.823 -4.444 -3.130 1.00 20.02 H new ATOM 0 HE3 LYS A 18 -12.568 -5.550 -1.993 1.00 20.02 H new ATOM 0 HZ1 LYS A 18 -10.979 -4.107 -0.899 1.00 24.40 H new ATOM 0 HZ2 LYS A 18 -10.452 -5.719 -0.813 1.00 24.40 H new ATOM 0 HZ3 LYS A 18 -9.730 -4.648 -1.915 1.00 24.40 H new ATOM 252 N ILE A 19 -10.761 -8.638 -8.512 1.00 1.32 N ATOM 253 CA ILE A 19 -11.432 -8.876 -9.784 1.00 64.13 C ATOM 254 C ILE A 19 -11.761 -10.353 -9.965 1.00 4.32 C ATOM 255 O ILE A 19 -10.885 -11.213 -9.864 1.00 74.13 O ATOM 256 CB ILE A 19 -10.571 -8.405 -10.971 1.00 34.21 C ATOM 257 CG1 ILE A 19 -10.258 -6.913 -10.842 1.00 35.43 C ATOM 258 CG2 ILE A 19 -11.280 -8.691 -12.286 1.00 62.10 C ATOM 259 CD1 ILE A 19 -9.082 -6.466 -11.683 1.00 1.04 C ATOM 0 H ILE A 19 -9.929 -9.209 -8.361 1.00 1.32 H new ATOM 0 HA ILE A 19 -12.357 -8.300 -9.765 1.00 64.13 H new ATOM 0 HB ILE A 19 -9.631 -8.957 -10.960 1.00 34.21 H new ATOM 0 HG12 ILE A 19 -11.139 -6.339 -11.130 1.00 35.43 H new ATOM 0 HG13 ILE A 19 -10.055 -6.682 -9.796 1.00 35.43 H new ATOM 0 HG21 ILE A 19 -10.659 -8.352 -13.115 1.00 62.10 H new ATOM 0 HG22 ILE A 19 -11.456 -9.763 -12.379 1.00 62.10 H new ATOM 0 HG23 ILE A 19 -12.233 -8.163 -12.308 1.00 62.10 H new ATOM 0 HD11 ILE A 19 -8.919 -5.398 -11.541 1.00 1.04 H new ATOM 0 HD12 ILE A 19 -8.189 -7.013 -11.380 1.00 1.04 H new ATOM 0 HD13 ILE A 19 -9.290 -6.665 -12.734 1.00 1.04 H new ATOM 271 N ARG A 20 -13.031 -10.642 -10.234 1.00 44.01 N ATOM 272 CA ARG A 20 -13.476 -12.017 -10.429 1.00 25.25 C ATOM 273 C ARG A 20 -13.241 -12.464 -11.870 1.00 42.52 C ATOM 274 O ARG A 20 -13.582 -11.753 -12.816 1.00 40.25 O ATOM 275 CB ARG A 20 -14.959 -12.149 -10.079 1.00 41.34 C ATOM 276 CG ARG A 20 -15.217 -12.364 -8.596 1.00 22.22 C ATOM 277 CD ARG A 20 -16.170 -11.318 -8.039 1.00 21.42 C ATOM 278 NE ARG A 20 -17.566 -11.654 -8.304 1.00 54.30 N ATOM 279 CZ ARG A 20 -18.591 -11.090 -7.674 1.00 52.05 C ATOM 280 NH1 ARG A 20 -18.375 -10.166 -6.747 1.00 15.42 N ATOM 281 NH2 ARG A 20 -19.833 -11.449 -7.970 1.00 33.20 N ATOM 0 H ARG A 20 -13.769 -9.943 -10.322 1.00 44.01 H new ATOM 0 HA ARG A 20 -12.895 -12.659 -9.767 1.00 25.25 H new ATOM 0 HB2 ARG A 20 -15.482 -11.249 -10.404 1.00 41.34 H new ATOM 0 HB3 ARG A 20 -15.383 -12.983 -10.638 1.00 41.34 H new ATOM 0 HG2 ARG A 20 -15.634 -13.359 -8.439 1.00 22.22 H new ATOM 0 HG3 ARG A 20 -14.273 -12.325 -8.052 1.00 22.22 H new ATOM 0 HD2 ARG A 20 -16.017 -11.224 -6.964 1.00 21.42 H new ATOM 0 HD3 ARG A 20 -15.941 -10.348 -8.479 1.00 21.42 H new ATOM 0 HE ARG A 20 -17.765 -12.361 -9.012 1.00 54.30 H new ATOM 0 HH11 ARG A 20 -17.421 -9.888 -6.517 1.00 15.42 H new ATOM 0 HH12 ARG A 20 -19.163 -9.734 -6.264 1.00 15.42 H new ATOM 0 HH21 ARG A 20 -20.003 -12.159 -8.682 1.00 33.20 H new ATOM 0 HH22 ARG A 20 -20.619 -11.015 -7.485 1.00 33.20 H new ATOM 295 N LEU A 21 -12.657 -13.648 -12.028 1.00 34.21 N ATOM 296 CA LEU A 21 -12.376 -14.190 -13.352 1.00 3.52 C ATOM 297 C LEU A 21 -13.653 -14.290 -14.183 1.00 75.54 C ATOM 298 O LEU A 21 -13.611 -14.233 -15.412 1.00 64.33 O ATOM 299 CB LEU A 21 -11.726 -15.570 -13.232 1.00 62.11 C ATOM 300 CG LEU A 21 -10.413 -15.626 -12.450 1.00 43.34 C ATOM 301 CD1 LEU A 21 -10.263 -16.971 -11.755 1.00 73.33 C ATOM 302 CD2 LEU A 21 -9.231 -15.367 -13.374 1.00 53.42 C ATOM 0 H LEU A 21 -12.370 -14.250 -11.256 1.00 34.21 H new ATOM 0 HA LEU A 21 -11.688 -13.511 -13.856 1.00 3.52 H new ATOM 0 HB2 LEU A 21 -12.438 -16.245 -12.757 1.00 62.11 H new ATOM 0 HB3 LEU A 21 -11.545 -15.953 -14.236 1.00 62.11 H new ATOM 0 HG LEU A 21 -10.432 -14.846 -11.689 1.00 43.34 H new ATOM 0 HD11 LEU A 21 -9.323 -16.993 -11.204 1.00 73.33 H new ATOM 0 HD12 LEU A 21 -11.093 -17.118 -11.064 1.00 73.33 H new ATOM 0 HD13 LEU A 21 -10.265 -17.767 -12.499 1.00 73.33 H new ATOM 0 HD21 LEU A 21 -8.305 -15.411 -12.801 1.00 53.42 H new ATOM 0 HD22 LEU A 21 -9.209 -16.124 -14.158 1.00 53.42 H new ATOM 0 HD23 LEU A 21 -9.332 -14.380 -13.826 1.00 53.42 H new ATOM 314 N ARG A 22 -14.785 -14.433 -13.502 1.00 5.44 N ATOM 315 CA ARG A 22 -16.073 -14.538 -14.178 1.00 41.22 C ATOM 316 C ARG A 22 -17.122 -13.674 -13.484 1.00 12.30 C ATOM 317 O ARG A 22 -16.983 -13.300 -12.319 1.00 50.22 O ATOM 318 CB ARG A 22 -16.538 -15.995 -14.212 1.00 72.11 C ATOM 319 CG ARG A 22 -16.357 -16.661 -15.566 1.00 74.41 C ATOM 320 CD ARG A 22 -17.615 -17.397 -15.998 1.00 11.20 C ATOM 321 NE ARG A 22 -17.309 -18.661 -16.661 1.00 43.02 N ATOM 322 CZ ARG A 22 -18.234 -19.543 -17.026 1.00 14.22 C ATOM 323 NH1 ARG A 22 -19.517 -19.297 -16.794 1.00 63.02 N ATOM 324 NH2 ARG A 22 -17.877 -20.672 -17.624 1.00 10.44 N ATOM 0 H ARG A 22 -14.837 -14.479 -12.484 1.00 5.44 H new ATOM 0 HA ARG A 22 -15.950 -14.180 -15.200 1.00 41.22 H new ATOM 0 HB2 ARG A 22 -15.986 -16.561 -13.462 1.00 72.11 H new ATOM 0 HB3 ARG A 22 -17.591 -16.038 -13.933 1.00 72.11 H new ATOM 0 HG2 ARG A 22 -16.101 -15.908 -16.311 1.00 74.41 H new ATOM 0 HG3 ARG A 22 -15.523 -17.361 -15.520 1.00 74.41 H new ATOM 0 HD2 ARG A 22 -18.241 -17.587 -15.126 1.00 11.20 H new ATOM 0 HD3 ARG A 22 -18.192 -16.764 -16.673 1.00 11.20 H new ATOM 0 HE ARG A 22 -16.332 -18.879 -16.855 1.00 43.02 H new ATOM 0 HH11 ARG A 22 -19.795 -18.430 -16.335 1.00 63.02 H new ATOM 0 HH12 ARG A 22 -20.225 -19.975 -17.075 1.00 63.02 H new ATOM 0 HH21 ARG A 22 -16.892 -20.864 -17.804 1.00 10.44 H new ATOM 0 HH22 ARG A 22 -18.588 -21.348 -17.904 1.00 10.44 H new ATOM 338 N PRO A 23 -18.199 -13.349 -14.215 1.00 72.35 N ATOM 339 CA PRO A 23 -19.292 -12.525 -13.690 1.00 61.30 C ATOM 340 C PRO A 23 -20.111 -13.256 -12.631 1.00 32.42 C ATOM 341 O PRO A 23 -20.616 -12.642 -11.692 1.00 52.35 O ATOM 342 CB PRO A 23 -20.148 -12.242 -14.927 1.00 22.54 C ATOM 343 CG PRO A 23 -19.864 -13.376 -15.851 1.00 11.54 C ATOM 344 CD PRO A 23 -18.431 -13.759 -15.610 1.00 52.32 C ATOM 0 HA PRO A 23 -18.924 -11.626 -13.195 1.00 61.30 H new ATOM 0 HB2 PRO A 23 -21.207 -12.194 -14.673 1.00 22.54 H new ATOM 0 HB3 PRO A 23 -19.885 -11.286 -15.380 1.00 22.54 H new ATOM 0 HG2 PRO A 23 -20.531 -14.216 -15.654 1.00 11.54 H new ATOM 0 HG3 PRO A 23 -20.020 -13.082 -16.889 1.00 11.54 H new ATOM 0 HD2 PRO A 23 -18.273 -14.829 -15.746 1.00 52.32 H new ATOM 0 HD3 PRO A 23 -17.757 -13.247 -16.297 1.00 52.32 H new ATOM 352 N GLY A 24 -20.237 -14.569 -12.790 1.00 12.24 N ATOM 353 CA GLY A 24 -20.996 -15.361 -11.839 1.00 11.12 C ATOM 354 C GLY A 24 -20.111 -16.251 -10.989 1.00 12.43 C ATOM 355 O GLY A 24 -20.512 -17.348 -10.601 1.00 72.34 O ATOM 0 H GLY A 24 -19.828 -15.099 -13.559 1.00 12.24 H new ATOM 0 HA2 GLY A 24 -21.567 -14.696 -11.191 1.00 11.12 H new ATOM 0 HA3 GLY A 24 -21.716 -15.977 -12.377 1.00 11.12 H new ATOM 359 N GLY A 25 -18.903 -15.779 -10.701 1.00 75.44 N ATOM 360 CA GLY A 25 -17.976 -16.553 -9.895 1.00 51.10 C ATOM 361 C GLY A 25 -17.402 -15.753 -8.742 1.00 35.20 C ATOM 362 O GLY A 25 -17.673 -14.559 -8.609 1.00 74.24 O ATOM 0 H GLY A 25 -18.549 -14.874 -11.011 1.00 75.44 H new ATOM 0 HA2 GLY A 25 -18.487 -17.433 -9.504 1.00 51.10 H new ATOM 0 HA3 GLY A 25 -17.162 -16.911 -10.526 1.00 51.10 H new ATOM 366 N LYS A 26 -16.609 -16.411 -7.904 1.00 53.33 N ATOM 367 CA LYS A 26 -15.995 -15.756 -6.756 1.00 54.12 C ATOM 368 C LYS A 26 -14.475 -15.744 -6.883 1.00 1.23 C ATOM 369 O LYS A 26 -13.801 -14.876 -6.327 1.00 44.22 O ATOM 370 CB LYS A 26 -16.403 -16.461 -5.461 1.00 50.30 C ATOM 371 CG LYS A 26 -16.635 -15.513 -4.297 1.00 21.31 C ATOM 372 CD LYS A 26 -18.086 -15.528 -3.846 1.00 60.43 C ATOM 373 CE LYS A 26 -18.267 -14.792 -2.528 1.00 14.11 C ATOM 374 NZ LYS A 26 -19.631 -14.989 -1.965 1.00 13.53 N ATOM 0 H LYS A 26 -16.376 -17.400 -7.999 1.00 53.33 H new ATOM 0 HA LYS A 26 -16.347 -14.725 -6.728 1.00 54.12 H new ATOM 0 HB2 LYS A 26 -17.314 -17.032 -5.640 1.00 50.30 H new ATOM 0 HB3 LYS A 26 -15.627 -17.176 -5.187 1.00 50.30 H new ATOM 0 HG2 LYS A 26 -15.991 -15.794 -3.464 1.00 21.31 H new ATOM 0 HG3 LYS A 26 -16.354 -14.501 -4.589 1.00 21.31 H new ATOM 0 HD2 LYS A 26 -18.711 -15.066 -4.611 1.00 60.43 H new ATOM 0 HD3 LYS A 26 -18.424 -16.559 -3.738 1.00 60.43 H new ATOM 0 HE2 LYS A 26 -17.524 -15.143 -1.811 1.00 14.11 H new ATOM 0 HE3 LYS A 26 -18.087 -13.728 -2.679 1.00 14.11 H new ATOM 0 HZ1 LYS A 26 -19.714 -14.471 -1.067 1.00 13.53 H new ATOM 0 HZ2 LYS A 26 -20.339 -14.631 -2.637 1.00 13.53 H new ATOM 0 HZ3 LYS A 26 -19.794 -16.002 -1.797 1.00 13.53 H new ATOM 388 N LYS A 27 -13.941 -16.712 -7.622 1.00 54.44 N ATOM 389 CA LYS A 27 -12.500 -16.812 -7.825 1.00 1.53 C ATOM 390 C LYS A 27 -11.927 -15.487 -8.316 1.00 50.31 C ATOM 391 O LYS A 27 -12.180 -15.072 -9.446 1.00 22.31 O ATOM 392 CB LYS A 27 -12.184 -17.920 -8.831 1.00 44.40 C ATOM 393 CG LYS A 27 -10.756 -18.431 -8.744 1.00 45.34 C ATOM 394 CD LYS A 27 -10.532 -19.621 -9.664 1.00 72.24 C ATOM 395 CE LYS A 27 -9.110 -20.150 -9.553 1.00 41.13 C ATOM 396 NZ LYS A 27 -8.445 -20.235 -10.883 1.00 70.03 N ATOM 0 H LYS A 27 -14.484 -17.438 -8.090 1.00 54.44 H new ATOM 0 HA LYS A 27 -12.038 -17.055 -6.868 1.00 1.53 H new ATOM 0 HB2 LYS A 27 -12.869 -18.752 -8.670 1.00 44.40 H new ATOM 0 HB3 LYS A 27 -12.367 -17.547 -9.839 1.00 44.40 H new ATOM 0 HG2 LYS A 27 -10.065 -17.630 -9.009 1.00 45.34 H new ATOM 0 HG3 LYS A 27 -10.533 -18.718 -7.716 1.00 45.34 H new ATOM 0 HD2 LYS A 27 -11.237 -20.414 -9.414 1.00 72.24 H new ATOM 0 HD3 LYS A 27 -10.733 -19.329 -10.695 1.00 72.24 H new ATOM 0 HE2 LYS A 27 -8.530 -19.499 -8.898 1.00 41.13 H new ATOM 0 HE3 LYS A 27 -9.125 -21.137 -9.090 1.00 41.13 H new ATOM 0 HZ1 LYS A 27 -7.478 -20.600 -10.765 1.00 70.03 H new ATOM 0 HZ2 LYS A 27 -8.984 -20.876 -11.500 1.00 70.03 H new ATOM 0 HZ3 LYS A 27 -8.408 -19.289 -11.314 1.00 70.03 H new ATOM 410 N GLN A 28 -11.153 -14.828 -7.459 1.00 4.15 N ATOM 411 CA GLN A 28 -10.543 -13.551 -7.808 1.00 51.34 C ATOM 412 C GLN A 28 -9.296 -13.758 -8.661 1.00 53.11 C ATOM 413 O GLN A 28 -8.901 -14.890 -8.935 1.00 64.15 O ATOM 414 CB GLN A 28 -10.186 -12.771 -6.541 1.00 31.03 C ATOM 415 CG GLN A 28 -11.307 -11.871 -6.044 1.00 61.34 C ATOM 416 CD GLN A 28 -11.240 -11.629 -4.549 1.00 72.41 C ATOM 417 OE1 GLN A 28 -11.068 -10.495 -4.099 1.00 10.14 O ATOM 418 NE2 GLN A 28 -11.377 -12.695 -3.769 1.00 33.13 N ATOM 0 H GLN A 28 -10.934 -15.157 -6.519 1.00 4.15 H new ATOM 0 HA GLN A 28 -11.266 -12.977 -8.388 1.00 51.34 H new ATOM 0 HB2 GLN A 28 -9.921 -13.476 -5.753 1.00 31.03 H new ATOM 0 HB3 GLN A 28 -9.302 -12.163 -6.735 1.00 31.03 H new ATOM 0 HG2 GLN A 28 -11.259 -10.915 -6.566 1.00 61.34 H new ATOM 0 HG3 GLN A 28 -12.268 -12.322 -6.293 1.00 61.34 H new ATOM 0 HE21 GLN A 28 -11.518 -13.616 -4.184 1.00 33.13 H new ATOM 0 HE22 GLN A 28 -11.342 -12.593 -2.755 1.00 33.13 H new ATOM 427 N TYR A 29 -8.682 -12.656 -9.078 1.00 62.03 N ATOM 428 CA TYR A 29 -7.481 -12.716 -9.902 1.00 12.01 C ATOM 429 C TYR A 29 -6.225 -12.723 -9.036 1.00 52.11 C ATOM 430 O TYR A 29 -6.203 -12.146 -7.949 1.00 51.53 O ATOM 431 CB TYR A 29 -7.441 -11.531 -10.869 1.00 73.12 C ATOM 432 CG TYR A 29 -7.950 -11.861 -12.253 1.00 11.45 C ATOM 433 CD1 TYR A 29 -7.138 -12.505 -13.179 1.00 4.31 C ATOM 434 CD2 TYR A 29 -9.245 -11.529 -12.636 1.00 43.01 C ATOM 435 CE1 TYR A 29 -7.600 -12.808 -14.445 1.00 24.42 C ATOM 436 CE2 TYR A 29 -9.715 -11.830 -13.900 1.00 42.04 C ATOM 437 CZ TYR A 29 -8.889 -12.469 -14.801 1.00 64.34 C ATOM 438 OH TYR A 29 -9.353 -12.770 -16.061 1.00 73.15 O ATOM 0 H TYR A 29 -8.996 -11.711 -8.859 1.00 62.03 H new ATOM 0 HA TYR A 29 -7.510 -13.643 -10.475 1.00 12.01 H new ATOM 0 HB2 TYR A 29 -8.037 -10.716 -10.457 1.00 73.12 H new ATOM 0 HB3 TYR A 29 -6.416 -11.169 -10.945 1.00 73.12 H new ATOM 0 HD1 TYR A 29 -6.129 -12.773 -12.904 1.00 4.31 H new ATOM 0 HD2 TYR A 29 -9.894 -11.027 -11.934 1.00 43.01 H new ATOM 0 HE1 TYR A 29 -6.955 -13.308 -15.153 1.00 24.42 H new ATOM 0 HE2 TYR A 29 -10.724 -11.566 -14.181 1.00 42.04 H new ATOM 0 HH TYR A 29 -10.299 -12.523 -16.129 1.00 73.15 H new ATOM 448 N LYS A 30 -5.180 -13.379 -9.527 1.00 43.43 N ATOM 449 CA LYS A 30 -3.917 -13.463 -8.802 1.00 15.34 C ATOM 450 C LYS A 30 -2.734 -13.311 -9.751 1.00 61.24 C ATOM 451 O LYS A 30 -2.879 -13.442 -10.967 1.00 5.22 O ATOM 452 CB LYS A 30 -3.820 -14.796 -8.056 1.00 32.32 C ATOM 453 CG LYS A 30 -4.372 -14.743 -6.642 1.00 2.22 C ATOM 454 CD LYS A 30 -4.532 -16.135 -6.054 1.00 23.31 C ATOM 455 CE LYS A 30 -5.051 -16.081 -4.626 1.00 53.43 C ATOM 456 NZ LYS A 30 -5.097 -17.432 -4.000 1.00 20.42 N ATOM 0 H LYS A 30 -5.182 -13.861 -10.426 1.00 43.43 H new ATOM 0 HA LYS A 30 -3.887 -12.647 -8.079 1.00 15.34 H new ATOM 0 HB2 LYS A 30 -4.359 -15.558 -8.619 1.00 32.32 H new ATOM 0 HB3 LYS A 30 -2.776 -15.106 -8.018 1.00 32.32 H new ATOM 0 HG2 LYS A 30 -3.705 -14.155 -6.012 1.00 2.22 H new ATOM 0 HG3 LYS A 30 -5.337 -14.235 -6.646 1.00 2.22 H new ATOM 0 HD2 LYS A 30 -5.219 -16.714 -6.670 1.00 23.31 H new ATOM 0 HD3 LYS A 30 -3.573 -16.652 -6.074 1.00 23.31 H new ATOM 0 HE2 LYS A 30 -4.412 -15.427 -4.032 1.00 53.43 H new ATOM 0 HE3 LYS A 30 -6.049 -15.643 -4.619 1.00 53.43 H new ATOM 0 HZ1 LYS A 30 -5.456 -17.352 -3.027 1.00 20.42 H new ATOM 0 HZ2 LYS A 30 -5.727 -18.049 -4.552 1.00 20.42 H new ATOM 0 HZ3 LYS A 30 -4.140 -17.840 -3.983 1.00 20.42 H new ATOM 470 N LEU A 31 -1.561 -13.035 -9.188 1.00 11.43 N ATOM 471 CA LEU A 31 -0.352 -12.868 -9.985 1.00 71.15 C ATOM 472 C LEU A 31 -0.147 -14.054 -10.922 1.00 41.32 C ATOM 473 O LEU A 31 0.397 -13.909 -12.017 1.00 74.42 O ATOM 474 CB LEU A 31 0.865 -12.708 -9.072 1.00 65.11 C ATOM 475 CG LEU A 31 1.045 -11.334 -8.427 1.00 71.34 C ATOM 476 CD1 LEU A 31 1.762 -11.460 -7.092 1.00 71.32 C ATOM 477 CD2 LEU A 31 1.810 -10.403 -9.358 1.00 15.44 C ATOM 0 H LEU A 31 -1.423 -12.923 -8.184 1.00 11.43 H new ATOM 0 HA LEU A 31 -0.467 -11.968 -10.590 1.00 71.15 H new ATOM 0 HB2 LEU A 31 0.800 -13.453 -8.279 1.00 65.11 H new ATOM 0 HB3 LEU A 31 1.760 -12.936 -9.651 1.00 65.11 H new ATOM 0 HG LEU A 31 0.058 -10.907 -8.248 1.00 71.34 H new ATOM 0 HD11 LEU A 31 1.881 -10.472 -6.648 1.00 71.32 H new ATOM 0 HD12 LEU A 31 1.177 -12.090 -6.423 1.00 71.32 H new ATOM 0 HD13 LEU A 31 2.743 -11.909 -7.247 1.00 71.32 H new ATOM 0 HD21 LEU A 31 1.929 -9.430 -8.882 1.00 15.44 H new ATOM 0 HD22 LEU A 31 2.792 -10.826 -9.569 1.00 15.44 H new ATOM 0 HD23 LEU A 31 1.257 -10.286 -10.290 1.00 15.44 H new ATOM 489 N LYS A 32 -0.588 -15.229 -10.485 1.00 53.14 N ATOM 490 CA LYS A 32 -0.458 -16.441 -11.284 1.00 21.00 C ATOM 491 C LYS A 32 -1.016 -16.231 -12.687 1.00 35.32 C ATOM 492 O LYS A 32 -0.467 -16.733 -13.668 1.00 73.15 O ATOM 493 CB LYS A 32 -1.182 -17.606 -10.604 1.00 35.43 C ATOM 494 CG LYS A 32 -0.644 -17.934 -9.223 1.00 72.01 C ATOM 495 CD LYS A 32 0.604 -18.796 -9.301 1.00 22.23 C ATOM 496 CE LYS A 32 0.266 -20.238 -9.648 1.00 35.25 C ATOM 497 NZ LYS A 32 0.578 -21.166 -8.526 1.00 52.53 N ATOM 0 H LYS A 32 -1.039 -15.367 -9.581 1.00 53.14 H new ATOM 0 HA LYS A 32 0.602 -16.679 -11.366 1.00 21.00 H new ATOM 0 HB2 LYS A 32 -2.242 -17.367 -10.524 1.00 35.43 H new ATOM 0 HB3 LYS A 32 -1.102 -18.491 -11.235 1.00 35.43 H new ATOM 0 HG2 LYS A 32 -0.416 -17.010 -8.691 1.00 72.01 H new ATOM 0 HG3 LYS A 32 -1.410 -18.453 -8.647 1.00 72.01 H new ATOM 0 HD2 LYS A 32 1.282 -18.389 -10.052 1.00 22.23 H new ATOM 0 HD3 LYS A 32 1.130 -18.764 -8.347 1.00 22.23 H new ATOM 0 HE2 LYS A 32 -0.792 -20.313 -9.898 1.00 35.25 H new ATOM 0 HE3 LYS A 32 0.825 -20.539 -10.534 1.00 35.25 H new ATOM 0 HZ1 LYS A 32 0.334 -22.139 -8.802 1.00 52.53 H new ATOM 0 HZ2 LYS A 32 1.593 -21.114 -8.304 1.00 52.53 H new ATOM 0 HZ3 LYS A 32 0.026 -20.895 -7.687 1.00 52.53 H new ATOM 511 N HIS A 33 -2.112 -15.482 -12.777 1.00 32.12 N ATOM 512 CA HIS A 33 -2.745 -15.202 -14.062 1.00 52.24 C ATOM 513 C HIS A 33 -1.955 -14.152 -14.838 1.00 62.34 C ATOM 514 O HIS A 33 -1.868 -14.297 -16.058 1.00 13.12 O ATOM 515 CB HIS A 33 -4.182 -14.726 -13.854 1.00 33.52 C ATOM 516 CG HIS A 33 -4.959 -15.565 -12.887 1.00 64.15 C ATOM 517 ND1 HIS A 33 -5.760 -15.032 -11.901 1.00 73.12 N ATOM 518 CD2 HIS A 33 -5.052 -16.910 -12.759 1.00 34.31 C ATOM 519 CE1 HIS A 33 -6.313 -16.012 -11.208 1.00 55.15 C ATOM 520 NE2 HIS A 33 -5.899 -17.162 -11.709 1.00 0.35 N ATOM 0 H HIS A 33 -2.580 -15.058 -11.976 1.00 32.12 H new ATOM 0 HA HIS A 33 -2.757 -16.125 -14.642 1.00 52.24 H new ATOM 0 HB2 HIS A 33 -4.166 -13.696 -13.497 1.00 33.52 H new ATOM 0 HB3 HIS A 33 -4.697 -14.723 -14.815 1.00 33.52 H new ATOM 0 HD2 HIS A 33 -4.552 -17.647 -13.370 1.00 34.31 H new ATOM 0 HE1 HIS A 33 -6.989 -15.893 -10.374 1.00 55.15 H new ATOM 0 HE2 HIS A 33 -6.165 -18.087 -11.371 1.00 0.35 H new ATOM 528 N ILE A 34 -1.397 -13.136 -14.188 1.00 2.41 N ATOM 529 CA ILE A 34 -0.633 -12.110 -14.887 1.00 1.20 C ATOM 530 C ILE A 34 0.609 -12.701 -15.543 1.00 25.40 C ATOM 531 O ILE A 34 0.997 -12.298 -16.640 1.00 22.25 O ATOM 532 CB ILE A 34 -0.206 -10.979 -13.933 1.00 31.24 C ATOM 533 CG1 ILE A 34 -1.426 -10.408 -13.205 1.00 65.21 C ATOM 534 CG2 ILE A 34 0.519 -9.883 -14.701 1.00 1.22 C ATOM 535 CD1 ILE A 34 -1.071 -9.452 -12.089 1.00 42.53 C ATOM 0 H ILE A 34 -1.460 -13.001 -13.179 1.00 2.41 H new ATOM 0 HA ILE A 34 -1.287 -11.699 -15.656 1.00 1.20 H new ATOM 0 HB ILE A 34 0.478 -11.390 -13.190 1.00 31.24 H new ATOM 0 HG12 ILE A 34 -2.061 -9.893 -13.926 1.00 65.21 H new ATOM 0 HG13 ILE A 34 -2.012 -11.231 -12.795 1.00 65.21 H new ATOM 0 HG21 ILE A 34 0.814 -9.091 -14.013 1.00 1.22 H new ATOM 0 HG22 ILE A 34 1.406 -10.299 -15.178 1.00 1.22 H new ATOM 0 HG23 ILE A 34 -0.144 -9.473 -15.463 1.00 1.22 H new ATOM 0 HD11 ILE A 34 -1.984 -9.087 -11.618 1.00 42.53 H new ATOM 0 HD12 ILE A 34 -0.462 -9.969 -11.347 1.00 42.53 H new ATOM 0 HD13 ILE A 34 -0.511 -8.610 -12.496 1.00 42.53 H new ATOM 547 N VAL A 35 1.230 -13.662 -14.867 1.00 75.02 N ATOM 548 CA VAL A 35 2.428 -14.312 -15.385 1.00 20.15 C ATOM 549 C VAL A 35 2.072 -15.372 -16.421 1.00 71.53 C ATOM 550 O VAL A 35 2.777 -15.543 -17.417 1.00 15.30 O ATOM 551 CB VAL A 35 3.244 -14.968 -14.255 1.00 30.25 C ATOM 552 CG1 VAL A 35 4.471 -15.666 -14.820 1.00 63.44 C ATOM 553 CG2 VAL A 35 3.641 -13.931 -13.215 1.00 63.45 C ATOM 0 H VAL A 35 0.923 -14.008 -13.958 1.00 75.02 H new ATOM 0 HA VAL A 35 3.032 -13.536 -15.855 1.00 20.15 H new ATOM 0 HB VAL A 35 2.621 -15.718 -13.767 1.00 30.25 H new ATOM 0 HG11 VAL A 35 5.036 -16.124 -14.008 1.00 63.44 H new ATOM 0 HG12 VAL A 35 4.159 -16.437 -15.524 1.00 63.44 H new ATOM 0 HG13 VAL A 35 5.099 -14.938 -15.333 1.00 63.44 H new ATOM 0 HG21 VAL A 35 4.217 -14.411 -12.424 1.00 63.45 H new ATOM 0 HG22 VAL A 35 4.247 -13.157 -13.686 1.00 63.45 H new ATOM 0 HG23 VAL A 35 2.744 -13.481 -12.789 1.00 63.45 H new ATOM 563 N TRP A 36 0.975 -16.081 -16.182 1.00 1.21 N ATOM 564 CA TRP A 36 0.525 -17.125 -17.096 1.00 21.10 C ATOM 565 C TRP A 36 0.377 -16.582 -18.512 1.00 60.00 C ATOM 566 O TRP A 36 0.640 -17.285 -19.488 1.00 50.41 O ATOM 567 CB TRP A 36 -0.805 -17.710 -16.619 1.00 43.14 C ATOM 568 CG TRP A 36 -1.405 -18.685 -17.585 1.00 4.43 C ATOM 569 CD1 TRP A 36 -1.343 -20.048 -17.521 1.00 43.04 C ATOM 570 CD2 TRP A 36 -2.157 -18.372 -18.763 1.00 2.45 C ATOM 571 NE1 TRP A 36 -2.011 -20.601 -18.587 1.00 73.21 N ATOM 572 CE2 TRP A 36 -2.520 -19.594 -19.363 1.00 41.32 C ATOM 573 CE3 TRP A 36 -2.562 -17.180 -19.368 1.00 74.54 C ATOM 574 CZ2 TRP A 36 -3.266 -19.653 -20.537 1.00 2.45 C ATOM 575 CZ3 TRP A 36 -3.301 -17.240 -20.533 1.00 41.20 C ATOM 576 CH2 TRP A 36 -3.648 -18.470 -21.107 1.00 21.21 C ATOM 0 H TRP A 36 0.380 -15.952 -15.363 1.00 1.21 H new ATOM 0 HA TRP A 36 1.278 -17.913 -17.107 1.00 21.10 H new ATOM 0 HB2 TRP A 36 -0.653 -18.206 -15.661 1.00 43.14 H new ATOM 0 HB3 TRP A 36 -1.511 -16.897 -16.448 1.00 43.14 H new ATOM 0 HD1 TRP A 36 -0.842 -20.609 -16.746 1.00 43.04 H new ATOM 0 HE1 TRP A 36 -2.111 -21.599 -18.770 1.00 73.21 H new ATOM 0 HE3 TRP A 36 -2.301 -16.227 -18.932 1.00 74.54 H new ATOM 0 HZ2 TRP A 36 -3.534 -20.600 -20.982 1.00 2.45 H new ATOM 0 HZ3 TRP A 36 -3.617 -16.324 -21.009 1.00 41.20 H new ATOM 0 HH2 TRP A 36 -4.229 -18.484 -22.018 1.00 21.21 H new ATOM 587 N ALA A 37 -0.046 -15.326 -18.619 1.00 40.53 N ATOM 588 CA ALA A 37 -0.227 -14.689 -19.916 1.00 23.43 C ATOM 589 C ALA A 37 1.115 -14.330 -20.544 1.00 3.10 C ATOM 590 O ALA A 37 1.290 -14.429 -21.759 1.00 0.23 O ATOM 591 CB ALA A 37 -1.096 -13.447 -19.779 1.00 52.33 C ATOM 0 H ALA A 37 -0.270 -14.730 -17.822 1.00 40.53 H new ATOM 0 HA ALA A 37 -0.728 -15.399 -20.574 1.00 23.43 H new ATOM 0 HB1 ALA A 37 -1.222 -12.982 -20.757 1.00 52.33 H new ATOM 0 HB2 ALA A 37 -2.072 -13.727 -19.382 1.00 52.33 H new ATOM 0 HB3 ALA A 37 -0.617 -12.741 -19.100 1.00 52.33 H new ATOM 597 N SER A 38 2.062 -13.913 -19.709 1.00 33.12 N ATOM 598 CA SER A 38 3.387 -13.535 -20.183 1.00 64.22 C ATOM 599 C SER A 38 4.092 -14.724 -20.830 1.00 21.13 C ATOM 600 O SER A 38 4.722 -14.590 -21.879 1.00 30.42 O ATOM 601 CB SER A 38 4.232 -12.997 -19.027 1.00 73.11 C ATOM 602 OG SER A 38 4.042 -11.602 -18.864 1.00 73.30 O ATOM 0 H SER A 38 1.935 -13.829 -18.700 1.00 33.12 H new ATOM 0 HA SER A 38 3.267 -12.752 -20.932 1.00 64.22 H new ATOM 0 HB2 SER A 38 3.965 -13.514 -18.105 1.00 73.11 H new ATOM 0 HB3 SER A 38 5.285 -13.204 -19.215 1.00 73.11 H new ATOM 0 HG SER A 38 4.591 -11.282 -18.118 1.00 73.30 H new ATOM 608 N ARG A 39 3.979 -15.887 -20.197 1.00 63.41 N ATOM 609 CA ARG A 39 4.606 -17.100 -20.710 1.00 41.11 C ATOM 610 C ARG A 39 3.962 -17.531 -22.024 1.00 15.23 C ATOM 611 O ARG A 39 4.591 -18.194 -22.847 1.00 60.31 O ATOM 612 CB ARG A 39 4.499 -18.227 -19.683 1.00 44.44 C ATOM 613 CG ARG A 39 5.561 -19.303 -19.845 1.00 32.51 C ATOM 614 CD ARG A 39 5.089 -20.640 -19.296 1.00 42.33 C ATOM 615 NE ARG A 39 4.944 -21.644 -20.347 1.00 71.20 N ATOM 616 CZ ARG A 39 4.629 -22.913 -20.114 1.00 55.15 C ATOM 617 NH1 ARG A 39 4.426 -23.331 -18.872 1.00 34.43 N ATOM 618 NH2 ARG A 39 4.516 -23.766 -21.123 1.00 14.33 N ATOM 0 H ARG A 39 3.460 -16.015 -19.329 1.00 63.41 H new ATOM 0 HA ARG A 39 5.658 -16.885 -20.895 1.00 41.11 H new ATOM 0 HB2 ARG A 39 4.574 -17.803 -18.682 1.00 44.44 H new ATOM 0 HB3 ARG A 39 3.514 -18.686 -19.762 1.00 44.44 H new ATOM 0 HG2 ARG A 39 5.813 -19.410 -20.900 1.00 32.51 H new ATOM 0 HG3 ARG A 39 6.471 -18.998 -19.329 1.00 32.51 H new ATOM 0 HD2 ARG A 39 5.799 -20.996 -18.550 1.00 42.33 H new ATOM 0 HD3 ARG A 39 4.134 -20.506 -18.788 1.00 42.33 H new ATOM 0 HE ARG A 39 5.093 -21.354 -21.314 1.00 71.20 H new ATOM 0 HH11 ARG A 39 4.512 -22.678 -18.094 1.00 34.43 H new ATOM 0 HH12 ARG A 39 4.184 -24.306 -18.695 1.00 34.43 H new ATOM 0 HH21 ARG A 39 4.671 -23.448 -22.080 1.00 14.33 H new ATOM 0 HH22 ARG A 39 4.274 -24.740 -20.942 1.00 14.33 H new ATOM 632 N GLU A 40 2.702 -17.150 -22.212 1.00 3.41 N ATOM 633 CA GLU A 40 1.973 -17.499 -23.426 1.00 13.24 C ATOM 634 C GLU A 40 2.219 -16.469 -24.524 1.00 14.53 C ATOM 635 O GLU A 40 2.193 -16.793 -25.712 1.00 63.05 O ATOM 636 CB GLU A 40 0.473 -17.602 -23.135 1.00 72.54 C ATOM 637 CG GLU A 40 -0.238 -18.653 -23.970 1.00 75.23 C ATOM 638 CD GLU A 40 0.257 -20.057 -23.687 1.00 62.35 C ATOM 639 OE1 GLU A 40 1.116 -20.215 -22.794 1.00 0.52 O ATOM 640 OE2 GLU A 40 -0.214 -20.998 -24.358 1.00 3.32 O ATOM 0 H GLU A 40 2.166 -16.601 -21.540 1.00 3.41 H new ATOM 0 HA GLU A 40 2.337 -18.467 -23.772 1.00 13.24 H new ATOM 0 HB2 GLU A 40 0.331 -17.832 -22.079 1.00 72.54 H new ATOM 0 HB3 GLU A 40 0.009 -16.632 -23.315 1.00 72.54 H new ATOM 0 HG2 GLU A 40 -1.309 -18.603 -23.774 1.00 75.23 H new ATOM 0 HG3 GLU A 40 -0.096 -18.428 -25.027 1.00 75.23 H new ATOM 647 N LEU A 41 2.456 -15.227 -24.119 1.00 71.32 N ATOM 648 CA LEU A 41 2.708 -14.147 -25.068 1.00 12.24 C ATOM 649 C LEU A 41 3.990 -14.400 -25.854 1.00 55.01 C ATOM 650 O LEU A 41 4.014 -14.271 -27.077 1.00 64.31 O ATOM 651 CB LEU A 41 2.801 -12.808 -24.334 1.00 15.55 C ATOM 652 CG LEU A 41 1.499 -12.013 -24.219 1.00 42.23 C ATOM 653 CD1 LEU A 41 1.719 -10.741 -23.415 1.00 42.04 C ATOM 654 CD2 LEU A 41 0.950 -11.686 -25.600 1.00 71.31 C ATOM 0 H LEU A 41 2.479 -14.942 -23.140 1.00 71.32 H new ATOM 0 HA LEU A 41 1.875 -14.112 -25.770 1.00 12.24 H new ATOM 0 HB2 LEU A 41 3.180 -12.993 -23.329 1.00 15.55 H new ATOM 0 HB3 LEU A 41 3.538 -12.188 -24.844 1.00 15.55 H new ATOM 0 HG LEU A 41 0.766 -12.627 -23.695 1.00 42.23 H new ATOM 0 HD11 LEU A 41 0.782 -10.189 -23.344 1.00 42.04 H new ATOM 0 HD12 LEU A 41 2.065 -10.999 -22.414 1.00 42.04 H new ATOM 0 HD13 LEU A 41 2.468 -10.123 -23.910 1.00 42.04 H new ATOM 0 HD21 LEU A 41 0.024 -11.120 -25.499 1.00 71.31 H new ATOM 0 HD22 LEU A 41 1.680 -11.092 -26.150 1.00 71.31 H new ATOM 0 HD23 LEU A 41 0.753 -12.611 -26.142 1.00 71.31 H new ATOM 666 N GLU A 42 5.052 -14.762 -25.142 1.00 53.14 N ATOM 667 CA GLU A 42 6.337 -15.034 -25.773 1.00 61.43 C ATOM 668 C GLU A 42 6.198 -16.103 -26.853 1.00 41.11 C ATOM 669 O GLU A 42 6.986 -16.153 -27.798 1.00 14.14 O ATOM 670 CB GLU A 42 7.361 -15.482 -24.727 1.00 31.52 C ATOM 671 CG GLU A 42 8.383 -14.412 -24.380 1.00 42.42 C ATOM 672 CD GLU A 42 9.780 -14.764 -24.854 1.00 51.22 C ATOM 673 OE1 GLU A 42 10.515 -15.429 -24.094 1.00 31.22 O ATOM 674 OE2 GLU A 42 10.137 -14.376 -25.986 1.00 74.03 O ATOM 0 H GLU A 42 5.048 -14.874 -24.128 1.00 53.14 H new ATOM 0 HA GLU A 42 6.684 -14.112 -26.240 1.00 61.43 H new ATOM 0 HB2 GLU A 42 6.835 -15.779 -23.819 1.00 31.52 H new ATOM 0 HB3 GLU A 42 7.883 -16.365 -25.096 1.00 31.52 H new ATOM 0 HG2 GLU A 42 8.079 -13.466 -24.828 1.00 42.42 H new ATOM 0 HG3 GLU A 42 8.396 -14.264 -23.300 1.00 42.42 H new ATOM 681 N ARG A 43 5.190 -16.956 -26.705 1.00 0.11 N ATOM 682 CA ARG A 43 4.948 -18.026 -27.666 1.00 13.52 C ATOM 683 C ARG A 43 4.346 -17.473 -28.954 1.00 30.33 C ATOM 684 O ARG A 43 4.513 -18.051 -30.029 1.00 54.04 O ATOM 685 CB ARG A 43 4.013 -19.078 -27.065 1.00 23.54 C ATOM 686 CG ARG A 43 4.658 -20.444 -26.904 1.00 24.11 C ATOM 687 CD ARG A 43 4.928 -21.095 -28.252 1.00 75.32 C ATOM 688 NE ARG A 43 6.289 -21.616 -28.345 1.00 60.02 N ATOM 689 CZ ARG A 43 6.671 -22.518 -29.242 1.00 60.32 C ATOM 690 NH1 ARG A 43 5.800 -22.995 -30.120 1.00 2.40 N ATOM 691 NH2 ARG A 43 7.928 -22.944 -29.264 1.00 13.22 N ATOM 0 H ARG A 43 4.528 -16.927 -25.930 1.00 0.11 H new ATOM 0 HA ARG A 43 5.905 -18.492 -27.902 1.00 13.52 H new ATOM 0 HB2 ARG A 43 3.668 -18.731 -26.091 1.00 23.54 H new ATOM 0 HB3 ARG A 43 3.132 -19.174 -27.700 1.00 23.54 H new ATOM 0 HG2 ARG A 43 5.593 -20.343 -26.353 1.00 24.11 H new ATOM 0 HG3 ARG A 43 4.007 -21.087 -26.312 1.00 24.11 H new ATOM 0 HD2 ARG A 43 4.218 -21.906 -28.412 1.00 75.32 H new ATOM 0 HD3 ARG A 43 4.764 -20.366 -29.046 1.00 75.32 H new ATOM 0 HE ARG A 43 6.984 -21.268 -27.685 1.00 60.02 H new ATOM 0 HH11 ARG A 43 4.833 -22.669 -30.108 1.00 2.40 H new ATOM 0 HH12 ARG A 43 6.096 -23.688 -30.808 1.00 2.40 H new ATOM 0 HH21 ARG A 43 8.602 -22.579 -28.591 1.00 13.22 H new ATOM 0 HH22 ARG A 43 8.220 -23.637 -29.953 1.00 13.22 H new ATOM 705 N PHE A 44 3.645 -16.349 -28.840 1.00 70.21 N ATOM 706 CA PHE A 44 3.017 -15.718 -29.995 1.00 70.43 C ATOM 707 C PHE A 44 3.909 -14.620 -30.566 1.00 34.52 C ATOM 708 O PHE A 44 3.426 -13.675 -31.190 1.00 75.42 O ATOM 709 CB PHE A 44 1.656 -15.136 -29.609 1.00 50.22 C ATOM 710 CG PHE A 44 0.542 -16.142 -29.650 1.00 20.04 C ATOM 711 CD1 PHE A 44 0.602 -17.296 -28.884 1.00 21.33 C ATOM 712 CD2 PHE A 44 -0.567 -15.934 -30.454 1.00 32.35 C ATOM 713 CE1 PHE A 44 -0.422 -18.222 -28.921 1.00 25.30 C ATOM 714 CE2 PHE A 44 -1.595 -16.858 -30.495 1.00 13.23 C ATOM 715 CZ PHE A 44 -1.523 -18.003 -29.726 1.00 64.01 C ATOM 0 H PHE A 44 3.498 -15.857 -27.959 1.00 70.21 H new ATOM 0 HA PHE A 44 2.873 -16.481 -30.761 1.00 70.43 H new ATOM 0 HB2 PHE A 44 1.720 -14.717 -28.605 1.00 50.22 H new ATOM 0 HB3 PHE A 44 1.417 -14.313 -30.283 1.00 50.22 H new ATOM 0 HD1 PHE A 44 1.459 -17.473 -28.251 1.00 21.33 H new ATOM 0 HD2 PHE A 44 -0.629 -15.039 -31.056 1.00 32.35 H new ATOM 0 HE1 PHE A 44 -0.362 -19.118 -28.320 1.00 25.30 H new ATOM 0 HE2 PHE A 44 -2.453 -16.685 -31.128 1.00 13.23 H new ATOM 0 HZ PHE A 44 -2.325 -18.725 -29.754 1.00 64.01 H new ATOM 725 N ALA A 45 5.214 -14.749 -30.347 1.00 3.42 N ATOM 726 CA ALA A 45 6.173 -13.769 -30.840 1.00 50.43 C ATOM 727 C ALA A 45 5.950 -12.408 -30.190 1.00 51.25 C ATOM 728 O ALA A 45 6.352 -11.378 -30.730 1.00 24.23 O ATOM 729 CB ALA A 45 6.081 -13.655 -32.355 1.00 53.52 C ATOM 0 H ALA A 45 5.631 -15.524 -29.831 1.00 3.42 H new ATOM 0 HA ALA A 45 7.173 -14.110 -30.573 1.00 50.43 H new ATOM 0 HB1 ALA A 45 6.803 -12.919 -32.709 1.00 53.52 H new ATOM 0 HB2 ALA A 45 6.298 -14.623 -32.807 1.00 53.52 H new ATOM 0 HB3 ALA A 45 5.076 -13.341 -32.636 1.00 53.52 H new ATOM 735 N VAL A 46 5.307 -12.411 -29.027 1.00 14.33 N ATOM 736 CA VAL A 46 5.030 -11.176 -28.303 1.00 30.13 C ATOM 737 C VAL A 46 5.715 -11.172 -26.941 1.00 42.11 C ATOM 738 O VAL A 46 5.568 -12.109 -26.158 1.00 21.43 O ATOM 739 CB VAL A 46 3.517 -10.968 -28.104 1.00 63.12 C ATOM 740 CG1 VAL A 46 3.252 -9.697 -27.311 1.00 22.11 C ATOM 741 CG2 VAL A 46 2.805 -10.926 -29.448 1.00 14.43 C ATOM 0 H VAL A 46 4.968 -13.255 -28.566 1.00 14.33 H new ATOM 0 HA VAL A 46 5.425 -10.360 -28.908 1.00 30.13 H new ATOM 0 HB VAL A 46 3.123 -11.810 -27.535 1.00 63.12 H new ATOM 0 HG11 VAL A 46 2.178 -9.567 -27.181 1.00 22.11 H new ATOM 0 HG12 VAL A 46 3.730 -9.771 -26.334 1.00 22.11 H new ATOM 0 HG13 VAL A 46 3.658 -8.841 -27.849 1.00 22.11 H new ATOM 0 HG21 VAL A 46 1.737 -10.778 -29.289 1.00 14.43 H new ATOM 0 HG22 VAL A 46 3.200 -10.103 -30.044 1.00 14.43 H new ATOM 0 HG23 VAL A 46 2.967 -11.866 -29.975 1.00 14.43 H new ATOM 751 N ASN A 47 6.466 -10.110 -26.665 1.00 2.43 N ATOM 752 CA ASN A 47 7.175 -9.984 -25.398 1.00 53.14 C ATOM 753 C ASN A 47 6.199 -9.732 -24.251 1.00 62.41 C ATOM 754 O ASN A 47 5.205 -9.021 -24.395 1.00 14.43 O ATOM 755 CB ASN A 47 8.196 -8.847 -25.471 1.00 2.03 C ATOM 756 CG ASN A 47 9.550 -9.317 -25.967 1.00 5.34 C ATOM 757 OD1 ASN A 47 9.646 -10.298 -26.705 1.00 22.10 O ATOM 758 ND2 ASN A 47 10.604 -8.618 -25.562 1.00 43.51 N ATOM 0 H ASN A 47 6.599 -9.325 -27.302 1.00 2.43 H new ATOM 0 HA ASN A 47 7.698 -10.921 -25.209 1.00 53.14 H new ATOM 0 HB2 ASN A 47 7.820 -8.067 -26.133 1.00 2.03 H new ATOM 0 HB3 ASN A 47 8.309 -8.400 -24.483 1.00 2.03 H new ATOM 0 HD21 ASN A 47 11.541 -8.887 -25.863 1.00 43.51 H new ATOM 0 HD22 ASN A 47 10.477 -7.812 -24.950 1.00 43.51 H new ATOM 765 N PRO A 48 6.489 -10.328 -23.085 1.00 24.50 N ATOM 766 CA PRO A 48 5.652 -10.183 -21.892 1.00 2.53 C ATOM 767 C PRO A 48 5.721 -8.778 -21.303 1.00 11.51 C ATOM 768 O PRO A 48 4.963 -8.437 -20.395 1.00 4.43 O ATOM 769 CB PRO A 48 6.246 -11.202 -20.915 1.00 13.13 C ATOM 770 CG PRO A 48 7.661 -11.361 -21.349 1.00 70.04 C ATOM 771 CD PRO A 48 7.659 -11.190 -22.843 1.00 70.25 C ATOM 0 HA PRO A 48 4.597 -10.348 -22.112 1.00 2.53 H new ATOM 0 HB2 PRO A 48 6.185 -10.847 -19.886 1.00 13.13 H new ATOM 0 HB3 PRO A 48 5.710 -12.150 -20.957 1.00 13.13 H new ATOM 0 HG2 PRO A 48 8.301 -10.618 -20.872 1.00 70.04 H new ATOM 0 HG3 PRO A 48 8.047 -12.341 -21.069 1.00 70.04 H new ATOM 0 HD2 PRO A 48 8.580 -10.726 -23.196 1.00 70.25 H new ATOM 0 HD3 PRO A 48 7.567 -12.147 -23.357 1.00 70.25 H new ATOM 779 N GLY A 49 6.634 -7.965 -21.826 1.00 44.53 N ATOM 780 CA GLY A 49 6.784 -6.607 -21.339 1.00 63.31 C ATOM 781 C GLY A 49 5.802 -5.649 -21.984 1.00 75.32 C ATOM 782 O GLY A 49 5.937 -4.431 -21.856 1.00 34.03 O ATOM 0 H GLY A 49 7.272 -8.223 -22.578 1.00 44.53 H new ATOM 0 HA2 GLY A 49 6.643 -6.594 -20.258 1.00 63.31 H new ATOM 0 HA3 GLY A 49 7.801 -6.265 -21.532 1.00 63.31 H new ATOM 786 N LEU A 50 4.813 -6.197 -22.680 1.00 10.02 N ATOM 787 CA LEU A 50 3.805 -5.383 -23.350 1.00 51.34 C ATOM 788 C LEU A 50 2.557 -5.242 -22.485 1.00 0.42 C ATOM 789 O LEU A 50 1.813 -4.268 -22.602 1.00 75.53 O ATOM 790 CB LEU A 50 3.437 -6.000 -24.700 1.00 34.22 C ATOM 791 CG LEU A 50 4.568 -6.099 -25.723 1.00 62.43 C ATOM 792 CD1 LEU A 50 4.040 -6.607 -27.056 1.00 63.22 C ATOM 793 CD2 LEU A 50 5.249 -4.749 -25.898 1.00 41.33 C ATOM 0 H LEU A 50 4.687 -7.203 -22.795 1.00 10.02 H new ATOM 0 HA LEU A 50 4.225 -4.391 -23.514 1.00 51.34 H new ATOM 0 HB2 LEU A 50 3.044 -7.002 -24.524 1.00 34.22 H new ATOM 0 HB3 LEU A 50 2.629 -5.413 -25.137 1.00 34.22 H new ATOM 0 HG LEU A 50 5.305 -6.811 -25.352 1.00 62.43 H new ATOM 0 HD11 LEU A 50 4.860 -6.671 -27.772 1.00 63.22 H new ATOM 0 HD12 LEU A 50 3.599 -7.595 -26.920 1.00 63.22 H new ATOM 0 HD13 LEU A 50 3.282 -5.920 -27.433 1.00 63.22 H new ATOM 0 HD21 LEU A 50 6.052 -4.839 -26.630 1.00 41.33 H new ATOM 0 HD22 LEU A 50 4.521 -4.016 -26.246 1.00 41.33 H new ATOM 0 HD23 LEU A 50 5.663 -4.424 -24.944 1.00 41.33 H new ATOM 805 N LEU A 51 2.333 -6.221 -21.614 1.00 34.43 N ATOM 806 CA LEU A 51 1.174 -6.205 -20.727 1.00 63.12 C ATOM 807 C LEU A 51 1.335 -5.146 -19.641 1.00 45.01 C ATOM 808 O LEU A 51 0.350 -4.636 -19.109 1.00 4.33 O ATOM 809 CB LEU A 51 0.979 -7.581 -20.088 1.00 52.24 C ATOM 810 CG LEU A 51 0.768 -8.747 -21.055 1.00 64.41 C ATOM 811 CD1 LEU A 51 1.013 -10.074 -20.354 1.00 75.10 C ATOM 812 CD2 LEU A 51 -0.634 -8.704 -21.644 1.00 23.54 C ATOM 0 H LEU A 51 2.938 -7.035 -21.503 1.00 34.43 H new ATOM 0 HA LEU A 51 0.294 -5.959 -21.322 1.00 63.12 H new ATOM 0 HB2 LEU A 51 1.851 -7.800 -19.471 1.00 52.24 H new ATOM 0 HB3 LEU A 51 0.120 -7.530 -19.419 1.00 52.24 H new ATOM 0 HG LEU A 51 1.486 -8.652 -21.870 1.00 64.41 H new ATOM 0 HD11 LEU A 51 0.858 -10.892 -21.058 1.00 75.10 H new ATOM 0 HD12 LEU A 51 2.037 -10.105 -19.981 1.00 75.10 H new ATOM 0 HD13 LEU A 51 0.320 -10.178 -19.519 1.00 75.10 H new ATOM 0 HD21 LEU A 51 -0.766 -9.541 -22.330 1.00 23.54 H new ATOM 0 HD22 LEU A 51 -1.368 -8.773 -20.841 1.00 23.54 H new ATOM 0 HD23 LEU A 51 -0.773 -7.767 -22.184 1.00 23.54 H new ATOM 824 N GLU A 52 2.583 -4.820 -19.320 1.00 74.31 N ATOM 825 CA GLU A 52 2.871 -3.819 -18.298 1.00 31.32 C ATOM 826 C GLU A 52 2.622 -2.411 -18.830 1.00 20.32 C ATOM 827 O GLU A 52 2.692 -1.432 -18.087 1.00 71.31 O ATOM 828 CB GLU A 52 4.319 -3.947 -17.821 1.00 5.22 C ATOM 829 CG GLU A 52 5.343 -3.744 -18.924 1.00 73.22 C ATOM 830 CD GLU A 52 6.495 -2.855 -18.493 1.00 24.50 C ATOM 831 OE1 GLU A 52 6.232 -1.761 -17.954 1.00 32.24 O ATOM 832 OE2 GLU A 52 7.660 -3.256 -18.696 1.00 1.21 O ATOM 0 H GLU A 52 3.410 -5.233 -19.752 1.00 74.31 H new ATOM 0 HA GLU A 52 2.202 -3.994 -17.456 1.00 31.32 H new ATOM 0 HB2 GLU A 52 4.498 -3.217 -17.031 1.00 5.22 H new ATOM 0 HB3 GLU A 52 4.462 -4.934 -17.381 1.00 5.22 H new ATOM 0 HG2 GLU A 52 5.733 -4.713 -19.235 1.00 73.22 H new ATOM 0 HG3 GLU A 52 4.854 -3.303 -19.793 1.00 73.22 H new ATOM 839 N THR A 53 2.332 -2.316 -20.125 1.00 13.11 N ATOM 840 CA THR A 53 2.075 -1.029 -20.758 1.00 11.01 C ATOM 841 C THR A 53 0.685 -0.992 -21.382 1.00 30.44 C ATOM 842 O THR A 53 0.300 -1.901 -22.117 1.00 11.35 O ATOM 843 CB THR A 53 3.122 -0.718 -21.844 1.00 71.22 C ATOM 844 OG1 THR A 53 2.893 -1.538 -22.995 1.00 3.43 O ATOM 845 CG2 THR A 53 4.531 -0.952 -21.321 1.00 44.40 C ATOM 0 H THR A 53 2.270 -3.116 -20.755 1.00 13.11 H new ATOM 0 HA THR A 53 2.139 -0.273 -19.975 1.00 11.01 H new ATOM 0 HB THR A 53 3.024 0.332 -22.121 1.00 71.22 H new ATOM 0 HG1 THR A 53 2.436 -2.362 -22.724 1.00 3.43 H new ATOM 0 HG21 THR A 53 5.253 -0.726 -22.106 1.00 44.40 H new ATOM 0 HG22 THR A 53 4.713 -0.305 -20.463 1.00 44.40 H new ATOM 0 HG23 THR A 53 4.639 -1.994 -21.019 1.00 44.40 H new ATOM 853 N SER A 54 -0.064 0.067 -21.087 1.00 61.04 N ATOM 854 CA SER A 54 -1.413 0.222 -21.618 1.00 4.43 C ATOM 855 C SER A 54 -1.411 0.138 -23.141 1.00 23.20 C ATOM 856 O SER A 54 -2.409 -0.236 -23.755 1.00 11.31 O ATOM 857 CB SER A 54 -2.010 1.556 -21.170 1.00 2.41 C ATOM 858 OG SER A 54 -3.366 1.405 -20.784 1.00 3.45 O ATOM 0 H SER A 54 0.241 0.830 -20.483 1.00 61.04 H new ATOM 0 HA SER A 54 -2.026 -0.591 -21.228 1.00 4.43 H new ATOM 0 HB2 SER A 54 -1.433 1.954 -20.335 1.00 2.41 H new ATOM 0 HB3 SER A 54 -1.938 2.281 -21.981 1.00 2.41 H new ATOM 0 HG SER A 54 -3.724 2.272 -20.500 1.00 3.45 H new ATOM 864 N GLU A 55 -0.279 0.490 -23.745 1.00 11.32 N ATOM 865 CA GLU A 55 -0.147 0.456 -25.197 1.00 74.23 C ATOM 866 C GLU A 55 0.003 -0.977 -25.696 1.00 0.52 C ATOM 867 O GLU A 55 -0.671 -1.391 -26.639 1.00 52.40 O ATOM 868 CB GLU A 55 1.057 1.290 -25.641 1.00 72.15 C ATOM 869 CG GLU A 55 0.690 2.690 -26.103 1.00 71.42 C ATOM 870 CD GLU A 55 1.869 3.643 -26.070 1.00 34.12 C ATOM 871 OE1 GLU A 55 2.736 3.486 -25.185 1.00 33.52 O ATOM 872 OE2 GLU A 55 1.925 4.547 -26.931 1.00 21.42 O ATOM 0 H GLU A 55 0.558 0.801 -23.252 1.00 11.32 H new ATOM 0 HA GLU A 55 -1.054 0.880 -25.629 1.00 74.23 H new ATOM 0 HB2 GLU A 55 1.763 1.363 -24.814 1.00 72.15 H new ATOM 0 HB3 GLU A 55 1.569 0.771 -26.452 1.00 72.15 H new ATOM 0 HG2 GLU A 55 0.295 2.642 -27.118 1.00 71.42 H new ATOM 0 HG3 GLU A 55 -0.106 3.081 -25.469 1.00 71.42 H new ATOM 879 N GLY A 56 0.893 -1.731 -25.057 1.00 24.01 N ATOM 880 CA GLY A 56 1.116 -3.110 -25.451 1.00 30.42 C ATOM 881 C GLY A 56 -0.150 -3.941 -25.392 1.00 5.24 C ATOM 882 O GLY A 56 -0.466 -4.671 -26.333 1.00 73.34 O ATOM 0 H GLY A 56 1.463 -1.411 -24.274 1.00 24.01 H new ATOM 0 HA2 GLY A 56 1.517 -3.135 -26.464 1.00 30.42 H new ATOM 0 HA3 GLY A 56 1.869 -3.554 -24.800 1.00 30.42 H new ATOM 886 N CYS A 57 -0.876 -3.834 -24.285 1.00 52.45 N ATOM 887 CA CYS A 57 -2.114 -4.585 -24.106 1.00 64.22 C ATOM 888 C CYS A 57 -3.056 -4.368 -25.285 1.00 64.20 C ATOM 889 O CYS A 57 -3.584 -5.324 -25.855 1.00 63.13 O ATOM 890 CB CYS A 57 -2.802 -4.170 -22.805 1.00 0.34 C ATOM 891 SG CYS A 57 -2.437 -5.248 -21.400 1.00 5.33 S ATOM 0 H CYS A 57 -0.629 -3.235 -23.498 1.00 52.45 H new ATOM 0 HA CYS A 57 -1.864 -5.645 -24.054 1.00 64.22 H new ATOM 0 HB2 CYS A 57 -2.501 -3.152 -22.556 1.00 0.34 H new ATOM 0 HB3 CYS A 57 -3.880 -4.153 -22.966 1.00 0.34 H new ATOM 0 HG CYS A 57 -3.062 -4.814 -20.346 1.00 5.33 H new ATOM 897 N ARG A 58 -3.264 -3.107 -25.646 1.00 72.54 N ATOM 898 CA ARG A 58 -4.145 -2.764 -26.756 1.00 43.21 C ATOM 899 C ARG A 58 -3.694 -3.454 -28.041 1.00 33.11 C ATOM 900 O ARG A 58 -4.510 -4.012 -28.775 1.00 55.44 O ATOM 901 CB ARG A 58 -4.176 -1.248 -26.962 1.00 0.12 C ATOM 902 CG ARG A 58 -5.580 -0.676 -27.059 1.00 73.22 C ATOM 903 CD ARG A 58 -5.555 0.835 -27.228 1.00 35.43 C ATOM 904 NE ARG A 58 -6.122 1.252 -28.509 1.00 62.33 N ATOM 905 CZ ARG A 58 -6.282 2.523 -28.863 1.00 3.55 C ATOM 906 NH1 ARG A 58 -5.920 3.494 -28.038 1.00 73.51 N ATOM 907 NH2 ARG A 58 -6.805 2.821 -30.045 1.00 32.12 N ATOM 0 H ARG A 58 -2.834 -2.305 -25.186 1.00 72.54 H new ATOM 0 HA ARG A 58 -5.149 -3.110 -26.511 1.00 43.21 H new ATOM 0 HB2 ARG A 58 -3.653 -0.767 -26.136 1.00 0.12 H new ATOM 0 HB3 ARG A 58 -3.629 -1.002 -27.872 1.00 0.12 H new ATOM 0 HG2 ARG A 58 -6.101 -1.129 -27.902 1.00 73.22 H new ATOM 0 HG3 ARG A 58 -6.142 -0.934 -26.161 1.00 73.22 H new ATOM 0 HD2 ARG A 58 -6.114 1.300 -26.416 1.00 35.43 H new ATOM 0 HD3 ARG A 58 -4.528 1.191 -27.153 1.00 35.43 H new ATOM 0 HE ARG A 58 -6.411 0.528 -29.167 1.00 62.33 H new ATOM 0 HH11 ARG A 58 -5.517 3.267 -27.129 1.00 73.51 H new ATOM 0 HH12 ARG A 58 -6.044 4.469 -28.312 1.00 73.51 H new ATOM 0 HH21 ARG A 58 -7.084 2.075 -30.682 1.00 32.12 H new ATOM 0 HH22 ARG A 58 -6.928 3.796 -30.317 1.00 32.12 H new ATOM 921 N GLN A 59 -2.393 -3.410 -28.304 1.00 25.30 N ATOM 922 CA GLN A 59 -1.835 -4.030 -29.500 1.00 62.21 C ATOM 923 C GLN A 59 -2.109 -5.530 -29.514 1.00 65.45 C ATOM 924 O GLN A 59 -2.451 -6.098 -30.552 1.00 11.42 O ATOM 925 CB GLN A 59 -0.329 -3.773 -29.579 1.00 42.42 C ATOM 926 CG GLN A 59 0.135 -3.282 -30.940 1.00 30.33 C ATOM 927 CD GLN A 59 1.332 -2.356 -30.850 1.00 64.25 C ATOM 928 OE1 GLN A 59 1.250 -1.179 -31.203 1.00 42.42 O ATOM 929 NE2 GLN A 59 2.455 -2.884 -30.375 1.00 11.43 N ATOM 0 H GLN A 59 -1.705 -2.952 -27.706 1.00 25.30 H new ATOM 0 HA GLN A 59 -2.318 -3.583 -30.369 1.00 62.21 H new ATOM 0 HB2 GLN A 59 -0.055 -3.036 -28.824 1.00 42.42 H new ATOM 0 HB3 GLN A 59 0.201 -4.693 -29.334 1.00 42.42 H new ATOM 0 HG2 GLN A 59 0.390 -4.139 -31.564 1.00 30.33 H new ATOM 0 HG3 GLN A 59 -0.686 -2.761 -31.433 1.00 30.33 H new ATOM 0 HE21 GLN A 59 2.479 -3.864 -30.094 1.00 11.43 H new ATOM 0 HE22 GLN A 59 3.293 -2.309 -30.291 1.00 11.43 H new ATOM 938 N ILE A 60 -1.954 -6.165 -28.358 1.00 62.14 N ATOM 939 CA ILE A 60 -2.185 -7.600 -28.238 1.00 13.10 C ATOM 940 C ILE A 60 -3.657 -7.938 -28.450 1.00 4.11 C ATOM 941 O ILE A 60 -3.989 -8.958 -29.056 1.00 44.31 O ATOM 942 CB ILE A 60 -1.742 -8.128 -26.861 1.00 41.14 C ATOM 943 CG1 ILE A 60 -0.258 -7.832 -26.631 1.00 55.33 C ATOM 944 CG2 ILE A 60 -2.012 -9.621 -26.754 1.00 3.21 C ATOM 945 CD1 ILE A 60 0.155 -7.911 -25.177 1.00 63.33 C ATOM 0 H ILE A 60 -1.670 -5.709 -27.491 1.00 62.14 H new ATOM 0 HA ILE A 60 -1.588 -8.082 -29.012 1.00 13.10 H new ATOM 0 HB ILE A 60 -2.319 -7.618 -26.090 1.00 41.14 H new ATOM 0 HG12 ILE A 60 0.339 -8.538 -27.209 1.00 55.33 H new ATOM 0 HG13 ILE A 60 -0.031 -6.836 -27.011 1.00 55.33 H new ATOM 0 HG21 ILE A 60 -1.693 -9.979 -25.775 1.00 3.21 H new ATOM 0 HG22 ILE A 60 -3.079 -9.808 -26.879 1.00 3.21 H new ATOM 0 HG23 ILE A 60 -1.458 -10.148 -27.531 1.00 3.21 H new ATOM 0 HD11 ILE A 60 1.219 -7.690 -25.088 1.00 63.33 H new ATOM 0 HD12 ILE A 60 -0.416 -7.186 -24.597 1.00 63.33 H new ATOM 0 HD13 ILE A 60 -0.040 -8.914 -24.797 1.00 63.33 H new ATOM 957 N LEU A 61 -4.535 -7.077 -27.949 1.00 51.23 N ATOM 958 CA LEU A 61 -5.973 -7.284 -28.085 1.00 61.24 C ATOM 959 C LEU A 61 -6.426 -7.026 -29.518 1.00 21.10 C ATOM 960 O LEU A 61 -7.431 -7.572 -29.970 1.00 13.34 O ATOM 961 CB LEU A 61 -6.733 -6.368 -27.125 1.00 71.14 C ATOM 962 CG LEU A 61 -6.408 -6.535 -25.639 1.00 24.52 C ATOM 963 CD1 LEU A 61 -6.693 -5.246 -24.882 1.00 5.34 C ATOM 964 CD2 LEU A 61 -7.201 -7.690 -25.047 1.00 61.14 C ATOM 0 H LEU A 61 -4.277 -6.229 -27.445 1.00 51.23 H new ATOM 0 HA LEU A 61 -6.191 -8.322 -27.835 1.00 61.24 H new ATOM 0 HB2 LEU A 61 -6.533 -5.334 -27.406 1.00 71.14 H new ATOM 0 HB3 LEU A 61 -7.801 -6.535 -27.264 1.00 71.14 H new ATOM 0 HG LEU A 61 -5.346 -6.762 -25.542 1.00 24.52 H new ATOM 0 HD11 LEU A 61 -6.456 -5.384 -23.827 1.00 5.34 H new ATOM 0 HD12 LEU A 61 -6.081 -4.442 -25.290 1.00 5.34 H new ATOM 0 HD13 LEU A 61 -7.747 -4.988 -24.986 1.00 5.34 H new ATOM 0 HD21 LEU A 61 -6.957 -7.794 -23.990 1.00 61.14 H new ATOM 0 HD22 LEU A 61 -8.267 -7.493 -25.156 1.00 61.14 H new ATOM 0 HD23 LEU A 61 -6.947 -8.612 -25.570 1.00 61.14 H new ATOM 976 N GLY A 62 -5.676 -6.190 -30.230 1.00 15.13 N ATOM 977 CA GLY A 62 -6.016 -5.875 -31.605 1.00 33.11 C ATOM 978 C GLY A 62 -5.830 -7.059 -32.533 1.00 1.45 C ATOM 979 O GLY A 62 -6.407 -7.099 -33.620 1.00 62.34 O ATOM 0 H GLY A 62 -4.839 -5.725 -29.879 1.00 15.13 H new ATOM 0 HA2 GLY A 62 -7.052 -5.539 -31.652 1.00 33.11 H new ATOM 0 HA3 GLY A 62 -5.396 -5.047 -31.949 1.00 33.11 H new ATOM 983 N GLN A 63 -5.024 -8.025 -32.105 1.00 73.13 N ATOM 984 CA GLN A 63 -4.763 -9.214 -32.907 1.00 54.31 C ATOM 985 C GLN A 63 -5.641 -10.377 -32.458 1.00 31.12 C ATOM 986 O GLN A 63 -5.988 -11.250 -33.254 1.00 30.05 O ATOM 987 CB GLN A 63 -3.288 -9.606 -32.811 1.00 74.04 C ATOM 988 CG GLN A 63 -2.461 -9.163 -34.007 1.00 31.12 C ATOM 989 CD GLN A 63 -2.280 -7.659 -34.068 1.00 15.35 C ATOM 990 OE1 GLN A 63 -2.017 -7.012 -33.054 1.00 14.51 O ATOM 991 NE2 GLN A 63 -2.424 -7.093 -35.261 1.00 42.13 N ATOM 0 H GLN A 63 -4.540 -8.007 -31.207 1.00 73.13 H new ATOM 0 HA GLN A 63 -5.003 -8.981 -33.945 1.00 54.31 H new ATOM 0 HB2 GLN A 63 -2.864 -9.172 -31.906 1.00 74.04 H new ATOM 0 HB3 GLN A 63 -3.214 -10.689 -32.710 1.00 74.04 H new ATOM 0 HG2 GLN A 63 -1.482 -9.641 -33.964 1.00 31.12 H new ATOM 0 HG3 GLN A 63 -2.943 -9.504 -34.923 1.00 31.12 H new ATOM 0 HE21 GLN A 63 -2.642 -7.668 -36.075 1.00 42.13 H new ATOM 0 HE22 GLN A 63 -2.317 -6.084 -35.363 1.00 42.13 H new ATOM 1000 N LEU A 64 -5.996 -10.384 -31.178 1.00 51.22 N ATOM 1001 CA LEU A 64 -6.834 -11.441 -30.622 1.00 62.31 C ATOM 1002 C LEU A 64 -8.313 -11.131 -30.833 1.00 41.15 C ATOM 1003 O LEU A 64 -9.144 -12.036 -30.891 1.00 65.10 O ATOM 1004 CB LEU A 64 -6.546 -11.616 -29.130 1.00 70.54 C ATOM 1005 CG LEU A 64 -5.104 -11.972 -28.762 1.00 20.55 C ATOM 1006 CD1 LEU A 64 -4.929 -12.001 -27.253 1.00 11.43 C ATOM 1007 CD2 LEU A 64 -4.712 -13.309 -29.374 1.00 43.23 C ATOM 0 H LEU A 64 -5.717 -9.670 -30.505 1.00 51.22 H new ATOM 0 HA LEU A 64 -6.598 -12.369 -31.143 1.00 62.31 H new ATOM 0 HB2 LEU A 64 -6.813 -10.692 -28.618 1.00 70.54 H new ATOM 0 HB3 LEU A 64 -7.202 -12.396 -28.743 1.00 70.54 H new ATOM 0 HG LEU A 64 -4.446 -11.203 -29.167 1.00 20.55 H new ATOM 0 HD11 LEU A 64 -3.897 -12.256 -27.011 1.00 11.43 H new ATOM 0 HD12 LEU A 64 -5.167 -11.021 -26.840 1.00 11.43 H new ATOM 0 HD13 LEU A 64 -5.597 -12.747 -26.823 1.00 11.43 H new ATOM 0 HD21 LEU A 64 -3.683 -13.546 -29.102 1.00 43.23 H new ATOM 0 HD22 LEU A 64 -5.375 -14.089 -29.000 1.00 43.23 H new ATOM 0 HD23 LEU A 64 -4.796 -13.251 -30.459 1.00 43.23 H new ATOM 1019 N GLN A 65 -8.632 -9.846 -30.947 1.00 72.53 N ATOM 1020 CA GLN A 65 -10.011 -9.417 -31.153 1.00 72.10 C ATOM 1021 C GLN A 65 -10.641 -10.157 -32.328 1.00 63.41 C ATOM 1022 O GLN A 65 -11.624 -10.884 -32.180 1.00 23.10 O ATOM 1023 CB GLN A 65 -10.067 -7.908 -31.395 1.00 53.25 C ATOM 1024 CG GLN A 65 -10.638 -7.125 -30.224 1.00 34.43 C ATOM 1025 CD GLN A 65 -10.705 -5.635 -30.495 1.00 31.55 C ATOM 1026 OE1 GLN A 65 -9.931 -4.855 -29.939 1.00 25.13 O ATOM 1027 NE2 GLN A 65 -11.633 -5.231 -31.354 1.00 32.24 N ATOM 0 H GLN A 65 -7.955 -9.084 -30.900 1.00 72.53 H new ATOM 0 HA GLN A 65 -10.578 -9.654 -30.252 1.00 72.10 H new ATOM 0 HB2 GLN A 65 -9.062 -7.545 -31.608 1.00 53.25 H new ATOM 0 HB3 GLN A 65 -10.671 -7.713 -32.281 1.00 53.25 H new ATOM 0 HG2 GLN A 65 -11.638 -7.495 -29.998 1.00 34.43 H new ATOM 0 HG3 GLN A 65 -10.025 -7.302 -29.340 1.00 34.43 H new ATOM 0 HE21 GLN A 65 -12.254 -5.912 -31.792 1.00 32.24 H new ATOM 0 HE22 GLN A 65 -11.725 -4.240 -31.576 1.00 32.24 H new ATOM 1036 N PRO A 66 -10.064 -9.968 -33.525 1.00 52.40 N ATOM 1037 CA PRO A 66 -10.554 -10.609 -34.749 1.00 74.34 C ATOM 1038 C PRO A 66 -10.303 -12.112 -34.756 1.00 43.44 C ATOM 1039 O PRO A 66 -10.905 -12.848 -35.538 1.00 63.04 O ATOM 1040 CB PRO A 66 -9.744 -9.926 -35.854 1.00 40.11 C ATOM 1041 CG PRO A 66 -8.497 -9.468 -35.181 1.00 31.31 C ATOM 1042 CD PRO A 66 -8.891 -9.115 -33.774 1.00 70.24 C ATOM 0 HA PRO A 66 -11.633 -10.501 -34.863 1.00 74.34 H new ATOM 0 HB2 PRO A 66 -9.524 -10.617 -36.668 1.00 40.11 H new ATOM 0 HB3 PRO A 66 -10.291 -9.088 -36.286 1.00 40.11 H new ATOM 0 HG2 PRO A 66 -7.739 -10.251 -35.189 1.00 31.31 H new ATOM 0 HG3 PRO A 66 -8.070 -8.606 -35.695 1.00 31.31 H new ATOM 0 HD2 PRO A 66 -8.087 -9.321 -33.068 1.00 70.24 H new ATOM 0 HD3 PRO A 66 -9.136 -8.057 -33.678 1.00 70.24 H new ATOM 1050 N SER A 67 -9.411 -12.564 -33.880 1.00 55.14 N ATOM 1051 CA SER A 67 -9.078 -13.980 -33.787 1.00 42.13 C ATOM 1052 C SER A 67 -9.774 -14.625 -32.592 1.00 64.13 C ATOM 1053 O SER A 67 -9.296 -15.617 -32.042 1.00 63.14 O ATOM 1054 CB SER A 67 -7.564 -14.163 -33.670 1.00 41.34 C ATOM 1055 OG SER A 67 -6.910 -13.789 -34.871 1.00 53.45 O ATOM 0 H SER A 67 -8.906 -11.969 -33.224 1.00 55.14 H new ATOM 0 HA SER A 67 -9.427 -14.470 -34.696 1.00 42.13 H new ATOM 0 HB2 SER A 67 -7.185 -13.562 -32.844 1.00 41.34 H new ATOM 0 HB3 SER A 67 -7.337 -15.204 -33.438 1.00 41.34 H new ATOM 0 HG SER A 67 -6.452 -12.933 -34.741 1.00 53.45 H new ATOM 1061 N LEU A 68 -10.905 -14.054 -32.196 1.00 15.34 N ATOM 1062 CA LEU A 68 -11.670 -14.572 -31.066 1.00 64.04 C ATOM 1063 C LEU A 68 -12.505 -15.780 -31.480 1.00 30.40 C ATOM 1064 O LEU A 68 -12.729 -16.692 -30.687 1.00 51.35 O ATOM 1065 CB LEU A 68 -12.578 -13.481 -30.496 1.00 21.35 C ATOM 1066 CG LEU A 68 -12.007 -12.674 -29.329 1.00 4.32 C ATOM 1067 CD1 LEU A 68 -12.901 -11.485 -29.014 1.00 5.14 C ATOM 1068 CD2 LEU A 68 -11.841 -13.558 -28.101 1.00 53.22 C ATOM 0 H LEU A 68 -11.314 -13.232 -32.640 1.00 15.34 H new ATOM 0 HA LEU A 68 -10.965 -14.888 -30.297 1.00 64.04 H new ATOM 0 HB2 LEU A 68 -12.831 -12.790 -31.300 1.00 21.35 H new ATOM 0 HB3 LEU A 68 -13.509 -13.945 -30.170 1.00 21.35 H new ATOM 0 HG LEU A 68 -11.026 -12.298 -29.618 1.00 4.32 H new ATOM 0 HD11 LEU A 68 -12.479 -10.923 -28.181 1.00 5.14 H new ATOM 0 HD12 LEU A 68 -12.970 -10.840 -29.890 1.00 5.14 H new ATOM 0 HD13 LEU A 68 -13.896 -11.839 -28.745 1.00 5.14 H new ATOM 0 HD21 LEU A 68 -11.434 -12.968 -27.280 1.00 53.22 H new ATOM 0 HD22 LEU A 68 -12.810 -13.963 -27.811 1.00 53.22 H new ATOM 0 HD23 LEU A 68 -11.160 -14.377 -28.332 1.00 53.22 H new ATOM 1080 N GLN A 69 -12.959 -15.777 -32.730 1.00 62.13 N ATOM 1081 CA GLN A 69 -13.767 -16.874 -33.250 1.00 54.34 C ATOM 1082 C GLN A 69 -12.907 -18.104 -33.519 1.00 12.11 C ATOM 1083 O GLN A 69 -13.175 -19.189 -33.002 1.00 14.43 O ATOM 1084 CB GLN A 69 -14.481 -16.445 -34.532 1.00 13.33 C ATOM 1085 CG GLN A 69 -15.852 -17.080 -34.706 1.00 4.02 C ATOM 1086 CD GLN A 69 -16.047 -17.675 -36.087 1.00 22.22 C ATOM 1087 OE1 GLN A 69 -16.080 -18.895 -36.252 1.00 55.54 O ATOM 1088 NE2 GLN A 69 -16.180 -16.815 -37.090 1.00 62.35 N ATOM 0 H GLN A 69 -12.781 -15.029 -33.400 1.00 62.13 H new ATOM 0 HA GLN A 69 -14.512 -17.133 -32.497 1.00 54.34 H new ATOM 0 HB2 GLN A 69 -14.589 -15.360 -34.532 1.00 13.33 H new ATOM 0 HB3 GLN A 69 -13.859 -16.703 -35.389 1.00 13.33 H new ATOM 0 HG2 GLN A 69 -15.985 -17.860 -33.956 1.00 4.02 H new ATOM 0 HG3 GLN A 69 -16.622 -16.330 -34.526 1.00 4.02 H new ATOM 0 HE21 GLN A 69 -16.147 -15.812 -36.909 1.00 62.35 H new ATOM 0 HE22 GLN A 69 -16.316 -17.158 -38.041 1.00 62.35 H new ATOM 1097 N THR A 70 -11.871 -17.929 -34.334 1.00 12.34 N ATOM 1098 CA THR A 70 -10.973 -19.024 -34.674 1.00 63.01 C ATOM 1099 C THR A 70 -10.085 -19.394 -33.492 1.00 41.12 C ATOM 1100 O THR A 70 -9.685 -20.548 -33.340 1.00 11.34 O ATOM 1101 CB THR A 70 -10.081 -18.667 -35.878 1.00 61.51 C ATOM 1102 OG1 THR A 70 -9.732 -17.278 -35.834 1.00 3.21 O ATOM 1103 CG2 THR A 70 -10.791 -18.974 -37.188 1.00 11.25 C ATOM 0 H THR A 70 -11.634 -17.038 -34.771 1.00 12.34 H new ATOM 0 HA THR A 70 -11.600 -19.876 -34.936 1.00 63.01 H new ATOM 0 HB THR A 70 -9.176 -19.272 -35.823 1.00 61.51 H new ATOM 0 HG1 THR A 70 -9.163 -17.059 -36.602 1.00 3.21 H new ATOM 0 HG21 THR A 70 -10.141 -18.714 -38.024 1.00 11.25 H new ATOM 0 HG22 THR A 70 -11.030 -20.036 -37.232 1.00 11.25 H new ATOM 0 HG23 THR A 70 -11.711 -18.392 -37.248 1.00 11.25 H new ATOM 1111 N GLY A 71 -9.779 -18.408 -32.655 1.00 53.22 N ATOM 1112 CA GLY A 71 -8.941 -18.650 -31.495 1.00 43.20 C ATOM 1113 C GLY A 71 -9.469 -19.772 -30.622 1.00 10.44 C ATOM 1114 O GLY A 71 -10.680 -19.951 -30.496 1.00 51.01 O ATOM 0 H GLY A 71 -10.097 -17.444 -32.760 1.00 53.22 H new ATOM 0 HA2 GLY A 71 -7.931 -18.895 -31.825 1.00 43.20 H new ATOM 0 HA3 GLY A 71 -8.871 -17.737 -30.904 1.00 43.20 H new ATOM 1118 N SER A 72 -8.558 -20.530 -30.020 1.00 11.21 N ATOM 1119 CA SER A 72 -8.940 -21.643 -29.159 1.00 62.01 C ATOM 1120 C SER A 72 -8.988 -21.208 -27.697 1.00 23.34 C ATOM 1121 O SER A 72 -8.863 -20.025 -27.388 1.00 74.31 O ATOM 1122 CB SER A 72 -7.956 -22.804 -29.325 1.00 31.55 C ATOM 1123 OG SER A 72 -6.807 -22.619 -28.516 1.00 35.21 O ATOM 0 H SER A 72 -7.551 -20.394 -30.113 1.00 11.21 H new ATOM 0 HA SER A 72 -9.936 -21.974 -29.454 1.00 62.01 H new ATOM 0 HB2 SER A 72 -8.446 -23.741 -29.058 1.00 31.55 H new ATOM 0 HB3 SER A 72 -7.659 -22.886 -30.371 1.00 31.55 H new ATOM 0 HG SER A 72 -6.195 -23.375 -28.639 1.00 35.21 H new ATOM 1129 N GLU A 73 -9.171 -22.175 -26.804 1.00 3.02 N ATOM 1130 CA GLU A 73 -9.237 -21.892 -25.376 1.00 1.10 C ATOM 1131 C GLU A 73 -8.031 -21.074 -24.927 1.00 33.21 C ATOM 1132 O GLU A 73 -8.118 -20.287 -23.985 1.00 33.42 O ATOM 1133 CB GLU A 73 -9.308 -23.196 -24.577 1.00 32.44 C ATOM 1134 CG GLU A 73 -9.542 -22.987 -23.090 1.00 3.33 C ATOM 1135 CD GLU A 73 -8.383 -23.474 -22.243 1.00 43.11 C ATOM 1136 OE1 GLU A 73 -7.371 -22.749 -22.149 1.00 73.11 O ATOM 1137 OE2 GLU A 73 -8.489 -24.582 -21.675 1.00 71.54 O ATOM 0 H GLU A 73 -9.276 -23.161 -27.044 1.00 3.02 H new ATOM 0 HA GLU A 73 -10.139 -21.310 -25.189 1.00 1.10 H new ATOM 0 HB2 GLU A 73 -10.110 -23.815 -24.979 1.00 32.44 H new ATOM 0 HB3 GLU A 73 -8.379 -23.748 -24.716 1.00 32.44 H new ATOM 0 HG2 GLU A 73 -9.707 -21.927 -22.898 1.00 3.33 H new ATOM 0 HG3 GLU A 73 -10.450 -23.511 -22.792 1.00 3.33 H new ATOM 1144 N GLU A 74 -6.906 -21.265 -25.608 1.00 1.10 N ATOM 1145 CA GLU A 74 -5.681 -20.545 -25.279 1.00 45.45 C ATOM 1146 C GLU A 74 -5.820 -19.060 -25.600 1.00 42.25 C ATOM 1147 O GLU A 74 -5.358 -18.204 -24.844 1.00 41.22 O ATOM 1148 CB GLU A 74 -4.495 -21.135 -26.045 1.00 41.12 C ATOM 1149 CG GLU A 74 -3.729 -22.191 -25.263 1.00 31.54 C ATOM 1150 CD GLU A 74 -4.088 -23.602 -25.684 1.00 71.01 C ATOM 1151 OE1 GLU A 74 -5.283 -23.957 -25.607 1.00 24.32 O ATOM 1152 OE2 GLU A 74 -3.174 -24.352 -26.088 1.00 14.45 O ATOM 0 H GLU A 74 -6.817 -21.912 -26.391 1.00 1.10 H new ATOM 0 HA GLU A 74 -5.503 -20.653 -24.209 1.00 45.45 H new ATOM 0 HB2 GLU A 74 -4.856 -21.574 -26.975 1.00 41.12 H new ATOM 0 HB3 GLU A 74 -3.812 -20.330 -26.317 1.00 41.12 H new ATOM 0 HG2 GLU A 74 -2.659 -22.036 -25.401 1.00 31.54 H new ATOM 0 HG3 GLU A 74 -3.934 -22.070 -24.199 1.00 31.54 H new ATOM 1159 N LEU A 75 -6.460 -18.761 -26.725 1.00 64.04 N ATOM 1160 CA LEU A 75 -6.659 -17.380 -27.148 1.00 14.20 C ATOM 1161 C LEU A 75 -7.632 -16.661 -26.218 1.00 53.24 C ATOM 1162 O LEU A 75 -7.352 -15.561 -25.741 1.00 23.02 O ATOM 1163 CB LEU A 75 -7.183 -17.336 -28.584 1.00 52.21 C ATOM 1164 CG LEU A 75 -6.824 -16.088 -29.392 1.00 64.02 C ATOM 1165 CD1 LEU A 75 -6.418 -16.468 -30.808 1.00 74.21 C ATOM 1166 CD2 LEU A 75 -7.991 -15.112 -29.413 1.00 60.44 C ATOM 0 H LEU A 75 -6.850 -19.457 -27.361 1.00 64.04 H new ATOM 0 HA LEU A 75 -5.697 -16.870 -27.103 1.00 14.20 H new ATOM 0 HB2 LEU A 75 -6.804 -18.209 -29.115 1.00 52.21 H new ATOM 0 HB3 LEU A 75 -8.269 -17.426 -28.556 1.00 52.21 H new ATOM 0 HG LEU A 75 -5.977 -15.599 -28.912 1.00 64.02 H new ATOM 0 HD11 LEU A 75 -6.166 -15.568 -31.368 1.00 74.21 H new ATOM 0 HD12 LEU A 75 -5.551 -17.128 -30.773 1.00 74.21 H new ATOM 0 HD13 LEU A 75 -7.245 -16.981 -31.298 1.00 74.21 H new ATOM 0 HD21 LEU A 75 -7.717 -14.230 -29.992 1.00 60.44 H new ATOM 0 HD22 LEU A 75 -8.858 -15.591 -29.869 1.00 60.44 H new ATOM 0 HD23 LEU A 75 -8.235 -14.815 -28.393 1.00 60.44 H new ATOM 1178 N ARG A 76 -8.773 -17.292 -25.962 1.00 11.05 N ATOM 1179 CA ARG A 76 -9.787 -16.713 -25.088 1.00 44.13 C ATOM 1180 C ARG A 76 -9.185 -16.324 -23.741 1.00 10.14 C ATOM 1181 O ARG A 76 -9.405 -15.218 -23.248 1.00 32.23 O ATOM 1182 CB ARG A 76 -10.935 -17.702 -24.879 1.00 0.25 C ATOM 1183 CG ARG A 76 -12.312 -17.066 -24.980 1.00 52.40 C ATOM 1184 CD ARG A 76 -12.686 -16.340 -23.696 1.00 5.02 C ATOM 1185 NE ARG A 76 -12.819 -17.258 -22.568 1.00 15.50 N ATOM 1186 CZ ARG A 76 -13.817 -18.127 -22.440 1.00 71.30 C ATOM 1187 NH1 ARG A 76 -14.762 -18.196 -23.367 1.00 31.32 N ATOM 1188 NH2 ARG A 76 -13.869 -18.928 -21.384 1.00 10.01 N ATOM 0 H ARG A 76 -9.019 -18.204 -26.347 1.00 11.05 H new ATOM 0 HA ARG A 76 -10.174 -15.814 -25.567 1.00 44.13 H new ATOM 0 HB2 ARG A 76 -10.857 -18.498 -25.619 1.00 0.25 H new ATOM 0 HB3 ARG A 76 -10.829 -18.166 -23.899 1.00 0.25 H new ATOM 0 HG2 ARG A 76 -12.330 -16.365 -25.814 1.00 52.40 H new ATOM 0 HG3 ARG A 76 -13.054 -17.835 -25.194 1.00 52.40 H new ATOM 0 HD2 ARG A 76 -11.926 -15.592 -23.468 1.00 5.02 H new ATOM 0 HD3 ARG A 76 -13.625 -15.806 -23.842 1.00 5.02 H new ATOM 0 HE ARG A 76 -12.107 -17.231 -21.838 1.00 15.50 H new ATOM 0 HH11 ARG A 76 -14.724 -17.582 -24.180 1.00 31.32 H new ATOM 0 HH12 ARG A 76 -15.527 -18.863 -23.267 1.00 31.32 H new ATOM 0 HH21 ARG A 76 -13.143 -18.878 -20.669 1.00 10.01 H new ATOM 0 HH22 ARG A 76 -14.635 -19.594 -21.287 1.00 10.01 H new ATOM 1202 N SER A 77 -8.426 -17.241 -23.151 1.00 62.42 N ATOM 1203 CA SER A 77 -7.796 -16.996 -21.859 1.00 60.42 C ATOM 1204 C SER A 77 -6.993 -15.699 -21.884 1.00 60.11 C ATOM 1205 O SER A 77 -7.125 -14.856 -20.995 1.00 63.43 O ATOM 1206 CB SER A 77 -6.884 -18.166 -21.481 1.00 21.30 C ATOM 1207 OG SER A 77 -7.628 -19.227 -20.908 1.00 4.15 O ATOM 0 H SER A 77 -8.232 -18.161 -23.547 1.00 62.42 H new ATOM 0 HA SER A 77 -8.583 -16.902 -21.111 1.00 60.42 H new ATOM 0 HB2 SER A 77 -6.359 -18.523 -22.367 1.00 21.30 H new ATOM 0 HB3 SER A 77 -6.125 -17.827 -20.776 1.00 21.30 H new ATOM 0 HG SER A 77 -7.023 -19.963 -20.677 1.00 4.15 H new ATOM 1213 N LEU A 78 -6.160 -15.545 -22.908 1.00 51.12 N ATOM 1214 CA LEU A 78 -5.335 -14.350 -23.051 1.00 53.44 C ATOM 1215 C LEU A 78 -6.198 -13.093 -23.089 1.00 23.33 C ATOM 1216 O LEU A 78 -6.027 -12.185 -22.276 1.00 13.30 O ATOM 1217 CB LEU A 78 -4.488 -14.441 -24.321 1.00 22.11 C ATOM 1218 CG LEU A 78 -3.012 -14.788 -24.121 1.00 53.32 C ATOM 1219 CD1 LEU A 78 -2.343 -13.770 -23.210 1.00 21.31 C ATOM 1220 CD2 LEU A 78 -2.868 -16.192 -23.552 1.00 60.43 C ATOM 0 H LEU A 78 -6.038 -16.233 -23.651 1.00 51.12 H new ATOM 0 HA LEU A 78 -4.675 -14.288 -22.186 1.00 53.44 H new ATOM 0 HB2 LEU A 78 -4.931 -15.191 -24.976 1.00 22.11 H new ATOM 0 HB3 LEU A 78 -4.548 -13.486 -24.843 1.00 22.11 H new ATOM 0 HG LEU A 78 -2.516 -14.757 -25.091 1.00 53.32 H new ATOM 0 HD11 LEU A 78 -1.293 -14.033 -23.079 1.00 21.31 H new ATOM 0 HD12 LEU A 78 -2.416 -12.779 -23.657 1.00 21.31 H new ATOM 0 HD13 LEU A 78 -2.840 -13.768 -22.240 1.00 21.31 H new ATOM 0 HD21 LEU A 78 -1.811 -16.423 -23.416 1.00 60.43 H new ATOM 0 HD22 LEU A 78 -3.379 -16.249 -22.591 1.00 60.43 H new ATOM 0 HD23 LEU A 78 -3.311 -16.911 -24.241 1.00 60.43 H new ATOM 1232 N TYR A 79 -7.127 -13.049 -24.038 1.00 42.10 N ATOM 1233 CA TYR A 79 -8.017 -11.904 -24.183 1.00 52.02 C ATOM 1234 C TYR A 79 -8.696 -11.570 -22.858 1.00 41.20 C ATOM 1235 O TYR A 79 -9.020 -10.415 -22.587 1.00 20.53 O ATOM 1236 CB TYR A 79 -9.073 -12.183 -25.254 1.00 63.31 C ATOM 1237 CG TYR A 79 -9.690 -10.933 -25.838 1.00 52.22 C ATOM 1238 CD1 TYR A 79 -8.941 -10.068 -26.626 1.00 70.25 C ATOM 1239 CD2 TYR A 79 -11.021 -10.615 -25.600 1.00 63.01 C ATOM 1240 CE1 TYR A 79 -9.500 -8.924 -27.161 1.00 62.20 C ATOM 1241 CE2 TYR A 79 -11.589 -9.474 -26.133 1.00 52.33 C ATOM 1242 CZ TYR A 79 -10.825 -8.631 -26.912 1.00 64.54 C ATOM 1243 OH TYR A 79 -11.386 -7.493 -27.443 1.00 60.13 O ATOM 0 H TYR A 79 -7.283 -13.793 -24.718 1.00 42.10 H new ATOM 0 HA TYR A 79 -7.417 -11.047 -24.489 1.00 52.02 H new ATOM 0 HB2 TYR A 79 -8.619 -12.763 -26.057 1.00 63.31 H new ATOM 0 HB3 TYR A 79 -9.862 -12.799 -24.822 1.00 63.31 H new ATOM 0 HD1 TYR A 79 -7.904 -10.294 -26.824 1.00 70.25 H new ATOM 0 HD2 TYR A 79 -11.622 -11.271 -24.988 1.00 63.01 H new ATOM 0 HE1 TYR A 79 -8.903 -8.262 -27.771 1.00 62.20 H new ATOM 0 HE2 TYR A 79 -12.626 -9.243 -25.940 1.00 52.33 H new ATOM 0 HH TYR A 79 -12.326 -7.435 -27.173 1.00 60.13 H new ATOM 1253 N ASN A 80 -8.908 -12.592 -22.036 1.00 43.00 N ATOM 1254 CA ASN A 80 -9.549 -12.410 -20.738 1.00 44.32 C ATOM 1255 C ASN A 80 -8.644 -11.629 -19.790 1.00 45.33 C ATOM 1256 O ASN A 80 -9.034 -10.591 -19.256 1.00 75.03 O ATOM 1257 CB ASN A 80 -9.900 -13.767 -20.124 1.00 31.11 C ATOM 1258 CG ASN A 80 -11.393 -14.033 -20.128 1.00 4.12 C ATOM 1259 OD1 ASN A 80 -12.129 -13.496 -20.956 1.00 30.12 O ATOM 1260 ND2 ASN A 80 -11.847 -14.868 -19.200 1.00 4.01 N ATOM 0 H ASN A 80 -8.645 -13.555 -22.245 1.00 43.00 H new ATOM 0 HA ASN A 80 -10.466 -11.840 -20.890 1.00 44.32 H new ATOM 0 HB2 ASN A 80 -9.391 -14.556 -20.678 1.00 31.11 H new ATOM 0 HB3 ASN A 80 -9.529 -13.806 -19.100 1.00 31.11 H new ATOM 0 HD21 ASN A 80 -12.842 -15.087 -19.154 1.00 4.01 H new ATOM 0 HD22 ASN A 80 -11.200 -15.290 -18.534 1.00 4.01 H new ATOM 1267 N THR A 81 -7.432 -12.136 -19.584 1.00 24.54 N ATOM 1268 CA THR A 81 -6.471 -11.487 -18.701 1.00 1.22 C ATOM 1269 C THR A 81 -6.050 -10.129 -19.249 1.00 25.51 C ATOM 1270 O THR A 81 -6.092 -9.123 -18.541 1.00 13.22 O ATOM 1271 CB THR A 81 -5.217 -12.358 -18.500 1.00 51.30 C ATOM 1272 OG1 THR A 81 -5.592 -13.656 -18.024 1.00 12.14 O ATOM 1273 CG2 THR A 81 -4.261 -11.708 -17.512 1.00 43.35 C ATOM 0 H THR A 81 -7.093 -12.995 -20.017 1.00 24.54 H new ATOM 0 HA THR A 81 -6.967 -11.349 -17.740 1.00 1.22 H new ATOM 0 HB THR A 81 -4.712 -12.456 -19.461 1.00 51.30 H new ATOM 0 HG1 THR A 81 -4.789 -14.204 -17.901 1.00 12.14 H new ATOM 0 HG21 THR A 81 -3.383 -12.341 -17.386 1.00 43.35 H new ATOM 0 HG22 THR A 81 -3.954 -10.733 -17.890 1.00 43.35 H new ATOM 0 HG23 THR A 81 -4.760 -11.584 -16.551 1.00 43.35 H new ATOM 1281 N ILE A 82 -5.644 -10.107 -20.515 1.00 74.10 N ATOM 1282 CA ILE A 82 -5.217 -8.871 -21.158 1.00 52.40 C ATOM 1283 C ILE A 82 -6.283 -7.788 -21.030 1.00 71.41 C ATOM 1284 O ILE A 82 -5.974 -6.597 -21.025 1.00 72.32 O ATOM 1285 CB ILE A 82 -4.903 -9.092 -22.649 1.00 32.31 C ATOM 1286 CG1 ILE A 82 -3.811 -10.151 -22.811 1.00 44.14 C ATOM 1287 CG2 ILE A 82 -4.479 -7.784 -23.301 1.00 54.22 C ATOM 1288 CD1 ILE A 82 -3.744 -10.742 -24.202 1.00 61.25 C ATOM 0 H ILE A 82 -5.602 -10.931 -21.115 1.00 74.10 H new ATOM 0 HA ILE A 82 -4.310 -8.547 -20.648 1.00 52.40 H new ATOM 0 HB ILE A 82 -5.806 -9.448 -23.146 1.00 32.31 H new ATOM 0 HG12 ILE A 82 -2.846 -9.707 -22.567 1.00 44.14 H new ATOM 0 HG13 ILE A 82 -3.984 -10.952 -22.092 1.00 44.14 H new ATOM 0 HG21 ILE A 82 -4.260 -7.957 -24.355 1.00 54.22 H new ATOM 0 HG22 ILE A 82 -5.285 -7.055 -23.212 1.00 54.22 H new ATOM 0 HG23 ILE A 82 -3.588 -7.402 -22.804 1.00 54.22 H new ATOM 0 HD11 ILE A 82 -2.948 -11.485 -24.244 1.00 61.25 H new ATOM 0 HD12 ILE A 82 -4.696 -11.216 -24.442 1.00 61.25 H new ATOM 0 HD13 ILE A 82 -3.540 -9.951 -24.924 1.00 61.25 H new ATOM 1300 N ALA A 83 -7.539 -8.210 -20.925 1.00 62.34 N ATOM 1301 CA ALA A 83 -8.650 -7.276 -20.794 1.00 51.44 C ATOM 1302 C ALA A 83 -8.693 -6.669 -19.395 1.00 34.22 C ATOM 1303 O ALA A 83 -8.518 -5.461 -19.227 1.00 22.21 O ATOM 1304 CB ALA A 83 -9.965 -7.974 -21.107 1.00 30.05 C ATOM 0 H ALA A 83 -7.812 -9.193 -20.928 1.00 62.34 H new ATOM 0 HA ALA A 83 -8.500 -6.468 -21.510 1.00 51.44 H new ATOM 0 HB1 ALA A 83 -10.787 -7.265 -21.005 1.00 30.05 H new ATOM 0 HB2 ALA A 83 -9.940 -8.357 -22.127 1.00 30.05 H new ATOM 0 HB3 ALA A 83 -10.112 -8.801 -20.413 1.00 30.05 H new ATOM 1310 N VAL A 84 -8.928 -7.511 -18.395 1.00 43.12 N ATOM 1311 CA VAL A 84 -8.993 -7.057 -17.011 1.00 71.02 C ATOM 1312 C VAL A 84 -7.762 -6.236 -16.644 1.00 73.12 C ATOM 1313 O VAL A 84 -7.854 -5.256 -15.901 1.00 65.12 O ATOM 1314 CB VAL A 84 -9.115 -8.243 -16.035 1.00 31.33 C ATOM 1315 CG1 VAL A 84 -9.291 -7.745 -14.609 1.00 73.54 C ATOM 1316 CG2 VAL A 84 -10.270 -9.147 -16.440 1.00 42.22 C ATOM 0 H VAL A 84 -9.077 -8.513 -18.517 1.00 43.12 H new ATOM 0 HA VAL A 84 -9.882 -6.433 -16.925 1.00 71.02 H new ATOM 0 HB VAL A 84 -8.194 -8.825 -16.079 1.00 31.33 H new ATOM 0 HG11 VAL A 84 -9.375 -8.597 -13.934 1.00 73.54 H new ATOM 0 HG12 VAL A 84 -8.429 -7.141 -14.325 1.00 73.54 H new ATOM 0 HG13 VAL A 84 -10.195 -7.140 -14.544 1.00 73.54 H new ATOM 0 HG21 VAL A 84 -10.343 -9.980 -15.741 1.00 42.22 H new ATOM 0 HG22 VAL A 84 -11.200 -8.578 -16.425 1.00 42.22 H new ATOM 0 HG23 VAL A 84 -10.096 -9.531 -17.445 1.00 42.22 H new ATOM 1326 N LEU A 85 -6.610 -6.640 -17.168 1.00 20.33 N ATOM 1327 CA LEU A 85 -5.359 -5.941 -16.896 1.00 22.30 C ATOM 1328 C LEU A 85 -5.334 -4.580 -17.585 1.00 52.01 C ATOM 1329 O LEU A 85 -4.887 -3.589 -17.007 1.00 64.54 O ATOM 1330 CB LEU A 85 -4.170 -6.783 -17.363 1.00 30.31 C ATOM 1331 CG LEU A 85 -2.849 -6.542 -16.632 1.00 41.13 C ATOM 1332 CD1 LEU A 85 -2.362 -7.822 -15.972 1.00 41.10 C ATOM 1333 CD2 LEU A 85 -1.799 -6.002 -17.593 1.00 51.02 C ATOM 0 H LEU A 85 -6.516 -7.448 -17.784 1.00 20.33 H new ATOM 0 HA LEU A 85 -5.286 -5.784 -15.820 1.00 22.30 H new ATOM 0 HB2 LEU A 85 -4.433 -7.836 -17.259 1.00 30.31 H new ATOM 0 HB3 LEU A 85 -4.014 -6.597 -18.426 1.00 30.31 H new ATOM 0 HG LEU A 85 -3.017 -5.798 -15.853 1.00 41.13 H new ATOM 0 HD11 LEU A 85 -1.421 -7.630 -15.457 1.00 41.10 H new ATOM 0 HD12 LEU A 85 -3.106 -8.166 -15.253 1.00 41.10 H new ATOM 0 HD13 LEU A 85 -2.210 -8.588 -16.732 1.00 41.10 H new ATOM 0 HD21 LEU A 85 -0.865 -5.836 -17.056 1.00 51.02 H new ATOM 0 HD22 LEU A 85 -1.634 -6.723 -18.394 1.00 51.02 H new ATOM 0 HD23 LEU A 85 -2.145 -5.060 -18.018 1.00 51.02 H new ATOM 1345 N TYR A 86 -5.820 -4.539 -18.820 1.00 1.53 N ATOM 1346 CA TYR A 86 -5.854 -3.300 -19.587 1.00 33.25 C ATOM 1347 C TYR A 86 -6.697 -2.243 -18.879 1.00 43.11 C ATOM 1348 O TYR A 86 -6.277 -1.095 -18.732 1.00 22.20 O ATOM 1349 CB TYR A 86 -6.413 -3.558 -20.989 1.00 42.35 C ATOM 1350 CG TYR A 86 -6.583 -2.302 -21.812 1.00 11.34 C ATOM 1351 CD1 TYR A 86 -5.506 -1.733 -22.480 1.00 14.43 C ATOM 1352 CD2 TYR A 86 -7.824 -1.685 -21.924 1.00 23.43 C ATOM 1353 CE1 TYR A 86 -5.659 -0.585 -23.234 1.00 73.02 C ATOM 1354 CE2 TYR A 86 -7.986 -0.538 -22.677 1.00 3.23 C ATOM 1355 CZ TYR A 86 -6.900 0.008 -23.329 1.00 31.11 C ATOM 1356 OH TYR A 86 -7.056 1.151 -24.080 1.00 40.35 O ATOM 0 H TYR A 86 -6.196 -5.350 -19.312 1.00 1.53 H new ATOM 0 HA TYR A 86 -4.833 -2.928 -19.672 1.00 33.25 H new ATOM 0 HB2 TYR A 86 -5.747 -4.241 -21.517 1.00 42.35 H new ATOM 0 HB3 TYR A 86 -7.378 -4.058 -20.900 1.00 42.35 H new ATOM 0 HD1 TYR A 86 -4.533 -2.196 -22.409 1.00 14.43 H new ATOM 0 HD2 TYR A 86 -8.676 -2.110 -21.414 1.00 23.43 H new ATOM 0 HE1 TYR A 86 -4.811 -0.155 -23.746 1.00 73.02 H new ATOM 0 HE2 TYR A 86 -8.957 -0.072 -22.755 1.00 3.23 H new ATOM 0 HH TYR A 86 -7.991 1.441 -24.044 1.00 40.35 H new ATOM 1366 N CYS A 87 -7.886 -2.640 -18.441 1.00 24.43 N ATOM 1367 CA CYS A 87 -8.789 -1.729 -17.749 1.00 74.22 C ATOM 1368 C CYS A 87 -8.079 -1.036 -16.590 1.00 64.11 C ATOM 1369 O CYS A 87 -8.377 0.112 -16.261 1.00 3.42 O ATOM 1370 CB CYS A 87 -10.014 -2.484 -17.233 1.00 2.31 C ATOM 1371 SG CYS A 87 -11.135 -3.050 -18.535 1.00 74.04 S ATOM 0 H CYS A 87 -8.247 -3.587 -18.553 1.00 24.43 H new ATOM 0 HA CYS A 87 -9.113 -0.969 -18.460 1.00 74.22 H new ATOM 0 HB2 CYS A 87 -9.680 -3.346 -16.656 1.00 2.31 H new ATOM 0 HB3 CYS A 87 -10.565 -1.837 -16.550 1.00 2.31 H new ATOM 0 HG CYS A 87 -10.591 -4.043 -19.174 1.00 74.04 H new ATOM 1377 N VAL A 88 -7.138 -1.743 -15.972 1.00 64.32 N ATOM 1378 CA VAL A 88 -6.385 -1.198 -14.849 1.00 24.34 C ATOM 1379 C VAL A 88 -5.437 -0.096 -15.307 1.00 60.04 C ATOM 1380 O VAL A 88 -5.332 0.953 -14.670 1.00 13.22 O ATOM 1381 CB VAL A 88 -5.573 -2.294 -14.132 1.00 31.44 C ATOM 1382 CG1 VAL A 88 -4.775 -1.701 -12.982 1.00 73.11 C ATOM 1383 CG2 VAL A 88 -6.492 -3.401 -13.640 1.00 11.42 C ATOM 0 H VAL A 88 -6.879 -2.695 -16.231 1.00 64.32 H new ATOM 0 HA VAL A 88 -7.113 -0.782 -14.152 1.00 24.34 H new ATOM 0 HB VAL A 88 -4.870 -2.727 -14.844 1.00 31.44 H new ATOM 0 HG11 VAL A 88 -4.208 -2.490 -12.488 1.00 73.11 H new ATOM 0 HG12 VAL A 88 -4.088 -0.947 -13.366 1.00 73.11 H new ATOM 0 HG13 VAL A 88 -5.456 -1.240 -12.266 1.00 73.11 H new ATOM 0 HG21 VAL A 88 -5.902 -4.167 -13.136 1.00 11.42 H new ATOM 0 HG22 VAL A 88 -7.220 -2.986 -12.943 1.00 11.42 H new ATOM 0 HG23 VAL A 88 -7.014 -3.845 -14.488 1.00 11.42 H new ATOM 1393 N HIS A 89 -4.746 -0.339 -16.416 1.00 25.32 N ATOM 1394 CA HIS A 89 -3.806 0.633 -16.963 1.00 55.15 C ATOM 1395 C HIS A 89 -4.544 1.848 -17.518 1.00 21.14 C ATOM 1396 O HIS A 89 -3.981 2.939 -17.433 1.00 52.15 O ATOM 1397 CB HIS A 89 -2.955 -0.007 -18.060 1.00 51.54 C ATOM 1398 CG HIS A 89 -2.043 -1.084 -17.558 1.00 42.10 C ATOM 1399 ND1 HIS A 89 -1.590 -1.141 -16.258 1.00 52.32 N ATOM 1400 CD2 HIS A 89 -1.501 -2.150 -18.191 1.00 62.31 C ATOM 1401 CE1 HIS A 89 -0.807 -2.195 -16.112 1.00 1.53 C ATOM 1402 NE2 HIS A 89 -0.737 -2.825 -17.272 1.00 52.43 N ATOM 0 H HIS A 89 -4.820 -1.202 -16.954 1.00 25.32 H new ATOM 0 HA HIS A 89 -3.153 0.963 -16.155 1.00 55.15 H new ATOM 0 HB2 HIS A 89 -3.613 -0.425 -18.822 1.00 51.54 H new ATOM 0 HB3 HIS A 89 -2.359 0.767 -18.544 1.00 51.54 H new ATOM 0 HD2 HIS A 89 -1.643 -2.420 -19.227 1.00 62.31 H new ATOM 0 HE1 HIS A 89 -0.309 -2.491 -15.201 1.00 1.53 H new ATOM 0 HE2 HIS A 89 -0.202 -3.674 -17.454 1.00 52.43 H new ATOM 1411 N GLN A 90 -5.745 1.694 -18.067 1.00 50.33 N ATOM 1412 CA GLN A 90 -6.486 2.825 -18.611 1.00 4.10 C ATOM 1413 C GLN A 90 -7.146 3.631 -17.497 1.00 63.31 C ATOM 1414 O GLN A 90 -6.697 4.727 -17.162 1.00 14.12 O ATOM 1415 CB GLN A 90 -7.546 2.337 -19.600 1.00 32.50 C ATOM 1416 CG GLN A 90 -7.226 2.672 -21.048 1.00 5.34 C ATOM 1417 CD GLN A 90 -7.757 4.029 -21.466 1.00 42.31 C ATOM 1418 OE1 GLN A 90 -8.629 4.128 -22.329 1.00 32.13 O ATOM 1419 NE2 GLN A 90 -7.232 5.083 -20.854 1.00 71.40 N ATOM 0 H GLN A 90 -6.225 0.797 -18.147 1.00 50.33 H new ATOM 0 HA GLN A 90 -5.781 3.472 -19.133 1.00 4.10 H new ATOM 0 HB2 GLN A 90 -7.654 1.257 -19.501 1.00 32.50 H new ATOM 0 HB3 GLN A 90 -8.507 2.779 -19.337 1.00 32.50 H new ATOM 0 HG2 GLN A 90 -6.146 2.649 -21.192 1.00 5.34 H new ATOM 0 HG3 GLN A 90 -7.650 1.905 -21.696 1.00 5.34 H new ATOM 0 HE21 GLN A 90 -6.511 4.954 -20.144 1.00 71.40 H new ATOM 0 HE22 GLN A 90 -7.550 6.022 -21.093 1.00 71.40 H new ATOM 1428 N ARG A 91 -8.213 3.080 -16.927 1.00 22.54 N ATOM 1429 CA ARG A 91 -8.935 3.750 -15.852 1.00 22.01 C ATOM 1430 C ARG A 91 -10.104 2.896 -15.368 1.00 24.23 C ATOM 1431 O ARG A 91 -10.430 2.888 -14.182 1.00 10.40 O ATOM 1432 CB ARG A 91 -9.446 5.112 -16.322 1.00 20.21 C ATOM 1433 CG ARG A 91 -8.932 6.276 -15.490 1.00 13.41 C ATOM 1434 CD ARG A 91 -9.181 7.608 -16.181 1.00 42.15 C ATOM 1435 NE ARG A 91 -8.054 8.008 -17.019 1.00 0.22 N ATOM 1436 CZ ARG A 91 -7.987 9.174 -17.652 1.00 63.35 C ATOM 1437 NH1 ARG A 91 -8.975 10.050 -17.541 1.00 52.43 N ATOM 1438 NH2 ARG A 91 -6.928 9.465 -18.397 1.00 2.22 N ATOM 0 H ARG A 91 -8.596 2.172 -17.191 1.00 22.54 H new ATOM 0 HA ARG A 91 -8.245 3.896 -15.021 1.00 22.01 H new ATOM 0 HB2 ARG A 91 -9.153 5.262 -17.361 1.00 20.21 H new ATOM 0 HB3 ARG A 91 -10.536 5.111 -16.295 1.00 20.21 H new ATOM 0 HG2 ARG A 91 -9.422 6.273 -14.516 1.00 13.41 H new ATOM 0 HG3 ARG A 91 -7.864 6.152 -15.310 1.00 13.41 H new ATOM 0 HD2 ARG A 91 -10.080 7.537 -16.793 1.00 42.15 H new ATOM 0 HD3 ARG A 91 -9.366 8.377 -15.431 1.00 42.15 H new ATOM 0 HE ARG A 91 -7.276 7.357 -17.124 1.00 0.22 H new ATOM 0 HH11 ARG A 91 -9.790 9.830 -16.968 1.00 52.43 H new ATOM 0 HH12 ARG A 91 -8.921 10.944 -18.028 1.00 52.43 H new ATOM 0 HH21 ARG A 91 -6.165 8.793 -18.484 1.00 2.22 H new ATOM 0 HH22 ARG A 91 -6.877 10.360 -18.883 1.00 2.22 H new ATOM 1452 N ILE A 92 -10.729 2.179 -16.296 1.00 3.12 N ATOM 1453 CA ILE A 92 -11.860 1.322 -15.964 1.00 2.33 C ATOM 1454 C ILE A 92 -11.522 0.387 -14.809 1.00 73.14 C ATOM 1455 O ILE A 92 -10.516 -0.322 -14.844 1.00 21.25 O ATOM 1456 CB ILE A 92 -12.305 0.481 -17.176 1.00 74.52 C ATOM 1457 CG1 ILE A 92 -12.667 1.392 -18.351 1.00 71.23 C ATOM 1458 CG2 ILE A 92 -13.484 -0.405 -16.803 1.00 21.21 C ATOM 1459 CD1 ILE A 92 -11.947 1.038 -19.634 1.00 35.32 C ATOM 0 H ILE A 92 -10.471 2.175 -17.283 1.00 3.12 H new ATOM 0 HA ILE A 92 -12.677 1.980 -15.668 1.00 2.33 H new ATOM 0 HB ILE A 92 -11.476 -0.159 -17.479 1.00 74.52 H new ATOM 0 HG12 ILE A 92 -13.742 1.342 -18.522 1.00 71.23 H new ATOM 0 HG13 ILE A 92 -12.434 2.423 -18.086 1.00 71.23 H new ATOM 0 HG21 ILE A 92 -13.786 -0.993 -17.670 1.00 21.21 H new ATOM 0 HG22 ILE A 92 -13.194 -1.075 -15.994 1.00 21.21 H new ATOM 0 HG23 ILE A 92 -14.318 0.217 -16.478 1.00 21.21 H new ATOM 0 HD11 ILE A 92 -12.252 1.725 -20.424 1.00 35.32 H new ATOM 0 HD12 ILE A 92 -10.871 1.116 -19.481 1.00 35.32 H new ATOM 0 HD13 ILE A 92 -12.199 0.018 -19.923 1.00 35.32 H new ATOM 1471 N ASP A 93 -12.368 0.390 -13.786 1.00 54.43 N ATOM 1472 CA ASP A 93 -12.161 -0.460 -12.618 1.00 24.34 C ATOM 1473 C ASP A 93 -13.235 -1.541 -12.536 1.00 51.32 C ATOM 1474 O ASP A 93 -13.920 -1.672 -11.521 1.00 2.05 O ATOM 1475 CB ASP A 93 -12.165 0.380 -11.340 1.00 32.24 C ATOM 1476 CG ASP A 93 -10.856 1.113 -11.124 1.00 25.25 C ATOM 1477 OD1 ASP A 93 -9.847 0.717 -11.743 1.00 22.22 O ATOM 1478 OD2 ASP A 93 -10.841 2.082 -10.336 1.00 24.35 O ATOM 0 H ASP A 93 -13.205 0.972 -13.741 1.00 54.43 H new ATOM 0 HA ASP A 93 -11.190 -0.945 -12.720 1.00 24.34 H new ATOM 0 HB2 ASP A 93 -12.979 1.103 -11.387 1.00 32.24 H new ATOM 0 HB3 ASP A 93 -12.361 -0.266 -10.485 1.00 32.24 H new ATOM 1483 N VAL A 94 -13.376 -2.312 -13.609 1.00 53.32 N ATOM 1484 CA VAL A 94 -14.366 -3.381 -13.658 1.00 11.12 C ATOM 1485 C VAL A 94 -14.246 -4.296 -12.444 1.00 4.15 C ATOM 1486 O VAL A 94 -13.248 -4.264 -11.724 1.00 3.30 O ATOM 1487 CB VAL A 94 -14.220 -4.223 -14.940 1.00 53.14 C ATOM 1488 CG1 VAL A 94 -14.496 -3.373 -16.170 1.00 5.24 C ATOM 1489 CG2 VAL A 94 -12.835 -4.846 -15.012 1.00 60.11 C ATOM 0 H VAL A 94 -12.817 -2.216 -14.457 1.00 53.32 H new ATOM 0 HA VAL A 94 -15.347 -2.906 -13.655 1.00 11.12 H new ATOM 0 HB VAL A 94 -14.954 -5.028 -14.912 1.00 53.14 H new ATOM 0 HG11 VAL A 94 -14.388 -3.984 -17.066 1.00 5.24 H new ATOM 0 HG12 VAL A 94 -15.511 -2.979 -16.119 1.00 5.24 H new ATOM 0 HG13 VAL A 94 -13.787 -2.546 -16.207 1.00 5.24 H new ATOM 0 HG21 VAL A 94 -12.749 -5.437 -15.924 1.00 60.11 H new ATOM 0 HG22 VAL A 94 -12.082 -4.058 -15.018 1.00 60.11 H new ATOM 0 HG23 VAL A 94 -12.680 -5.490 -14.146 1.00 60.11 H new ATOM 1499 N LYS A 95 -15.271 -5.114 -12.224 1.00 71.54 N ATOM 1500 CA LYS A 95 -15.281 -6.041 -11.099 1.00 63.30 C ATOM 1501 C LYS A 95 -14.933 -7.454 -11.556 1.00 52.41 C ATOM 1502 O LYS A 95 -14.427 -8.262 -10.777 1.00 52.42 O ATOM 1503 CB LYS A 95 -16.653 -6.037 -10.420 1.00 32.43 C ATOM 1504 CG LYS A 95 -16.584 -6.165 -8.909 1.00 3.24 C ATOM 1505 CD LYS A 95 -17.694 -5.379 -8.231 1.00 60.55 C ATOM 1506 CE LYS A 95 -19.031 -6.094 -8.342 1.00 51.53 C ATOM 1507 NZ LYS A 95 -19.477 -6.642 -7.031 1.00 52.05 N ATOM 0 H LYS A 95 -16.105 -5.153 -12.810 1.00 71.54 H new ATOM 0 HA LYS A 95 -14.527 -5.713 -10.383 1.00 63.30 H new ATOM 0 HB2 LYS A 95 -17.172 -5.113 -10.675 1.00 32.43 H new ATOM 0 HB3 LYS A 95 -17.249 -6.858 -10.819 1.00 32.43 H new ATOM 0 HG2 LYS A 95 -16.657 -7.216 -8.628 1.00 3.24 H new ATOM 0 HG3 LYS A 95 -15.616 -5.808 -8.557 1.00 3.24 H new ATOM 0 HD2 LYS A 95 -17.446 -5.230 -7.180 1.00 60.55 H new ATOM 0 HD3 LYS A 95 -17.770 -4.390 -8.684 1.00 60.55 H new ATOM 0 HE2 LYS A 95 -19.783 -5.402 -8.721 1.00 51.53 H new ATOM 0 HE3 LYS A 95 -18.950 -6.905 -9.066 1.00 51.53 H new ATOM 0 HZ1 LYS A 95 -20.392 -7.122 -7.149 1.00 52.05 H new ATOM 0 HZ2 LYS A 95 -18.772 -7.322 -6.681 1.00 52.05 H new ATOM 0 HZ3 LYS A 95 -19.579 -5.866 -6.347 1.00 52.05 H new ATOM 1521 N ASP A 96 -15.206 -7.746 -12.823 1.00 62.23 N ATOM 1522 CA ASP A 96 -14.919 -9.061 -13.383 1.00 4.13 C ATOM 1523 C ASP A 96 -14.376 -8.940 -14.804 1.00 35.05 C ATOM 1524 O ASP A 96 -14.187 -7.835 -15.316 1.00 41.04 O ATOM 1525 CB ASP A 96 -16.179 -9.927 -13.378 1.00 24.23 C ATOM 1526 CG ASP A 96 -17.417 -9.151 -13.786 1.00 51.42 C ATOM 1527 OD1 ASP A 96 -17.458 -8.660 -14.933 1.00 34.35 O ATOM 1528 OD2 ASP A 96 -18.344 -9.036 -12.956 1.00 63.00 O ATOM 0 H ASP A 96 -15.626 -7.090 -13.481 1.00 62.23 H new ATOM 0 HA ASP A 96 -14.159 -9.535 -12.762 1.00 4.13 H new ATOM 0 HB2 ASP A 96 -16.041 -10.768 -14.057 1.00 24.23 H new ATOM 0 HB3 ASP A 96 -16.327 -10.343 -12.381 1.00 24.23 H new ATOM 1533 N THR A 97 -14.126 -10.081 -15.437 1.00 21.33 N ATOM 1534 CA THR A 97 -13.603 -10.104 -16.797 1.00 34.31 C ATOM 1535 C THR A 97 -14.709 -9.851 -17.816 1.00 41.02 C ATOM 1536 O THR A 97 -14.457 -9.345 -18.910 1.00 55.24 O ATOM 1537 CB THR A 97 -12.924 -11.448 -17.116 1.00 30.42 C ATOM 1538 OG1 THR A 97 -11.900 -11.721 -16.153 1.00 72.42 O ATOM 1539 CG2 THR A 97 -12.322 -11.432 -18.513 1.00 71.44 C ATOM 0 H THR A 97 -14.278 -11.003 -15.029 1.00 21.33 H new ATOM 0 HA THR A 97 -12.862 -9.307 -16.864 1.00 34.31 H new ATOM 0 HB THR A 97 -13.681 -12.231 -17.072 1.00 30.42 H new ATOM 0 HG1 THR A 97 -12.088 -12.574 -15.708 1.00 72.42 H new ATOM 0 HG21 THR A 97 -11.848 -12.392 -18.716 1.00 71.44 H new ATOM 0 HG22 THR A 97 -13.109 -11.254 -19.246 1.00 71.44 H new ATOM 0 HG23 THR A 97 -11.578 -10.639 -18.579 1.00 71.44 H new ATOM 1547 N LYS A 98 -15.936 -10.207 -17.451 1.00 53.42 N ATOM 1548 CA LYS A 98 -17.082 -10.018 -18.331 1.00 13.23 C ATOM 1549 C LYS A 98 -17.279 -8.541 -18.658 1.00 21.40 C ATOM 1550 O LYS A 98 -17.331 -8.157 -19.827 1.00 15.34 O ATOM 1551 CB LYS A 98 -18.349 -10.580 -17.681 1.00 3.01 C ATOM 1552 CG LYS A 98 -19.344 -11.146 -18.679 1.00 2.11 C ATOM 1553 CD LYS A 98 -20.742 -10.596 -18.446 1.00 62.25 C ATOM 1554 CE LYS A 98 -21.632 -10.805 -19.662 1.00 52.25 C ATOM 1555 NZ LYS A 98 -22.726 -11.776 -19.387 1.00 3.33 N ATOM 0 H LYS A 98 -16.162 -10.629 -16.550 1.00 53.42 H new ATOM 0 HA LYS A 98 -16.888 -10.555 -19.259 1.00 13.23 H new ATOM 0 HB2 LYS A 98 -18.069 -11.363 -16.976 1.00 3.01 H new ATOM 0 HB3 LYS A 98 -18.833 -9.791 -17.106 1.00 3.01 H new ATOM 0 HG2 LYS A 98 -19.022 -10.905 -19.692 1.00 2.11 H new ATOM 0 HG3 LYS A 98 -19.362 -12.233 -18.600 1.00 2.11 H new ATOM 0 HD2 LYS A 98 -21.187 -11.085 -17.579 1.00 62.25 H new ATOM 0 HD3 LYS A 98 -20.682 -9.532 -18.216 1.00 62.25 H new ATOM 0 HE2 LYS A 98 -22.061 -9.850 -19.966 1.00 52.25 H new ATOM 0 HE3 LYS A 98 -21.029 -11.164 -20.496 1.00 52.25 H new ATOM 0 HZ1 LYS A 98 -23.310 -11.891 -20.240 1.00 3.33 H new ATOM 0 HZ2 LYS A 98 -22.316 -12.694 -19.121 1.00 3.33 H new ATOM 0 HZ3 LYS A 98 -23.317 -11.422 -18.608 1.00 3.33 H new ATOM 1569 N GLU A 99 -17.386 -7.718 -17.620 1.00 64.20 N ATOM 1570 CA GLU A 99 -17.575 -6.283 -17.799 1.00 2.11 C ATOM 1571 C GLU A 99 -16.419 -5.676 -18.588 1.00 23.34 C ATOM 1572 O GLU A 99 -16.627 -4.849 -19.476 1.00 73.13 O ATOM 1573 CB GLU A 99 -17.700 -5.590 -16.442 1.00 53.24 C ATOM 1574 CG GLU A 99 -19.073 -4.988 -16.189 1.00 44.45 C ATOM 1575 CD GLU A 99 -19.015 -3.500 -15.907 1.00 74.50 C ATOM 1576 OE1 GLU A 99 -19.089 -2.710 -16.872 1.00 44.32 O ATOM 1577 OE2 GLU A 99 -18.896 -3.124 -14.722 1.00 11.34 O ATOM 0 H GLU A 99 -17.345 -8.020 -16.647 1.00 64.20 H new ATOM 0 HA GLU A 99 -18.496 -6.131 -18.363 1.00 2.11 H new ATOM 0 HB2 GLU A 99 -17.478 -6.310 -15.654 1.00 53.24 H new ATOM 0 HB3 GLU A 99 -16.949 -4.802 -16.375 1.00 53.24 H new ATOM 0 HG2 GLU A 99 -19.708 -5.165 -17.057 1.00 44.45 H new ATOM 0 HG3 GLU A 99 -19.538 -5.496 -15.344 1.00 44.45 H new ATOM 1584 N ALA A 100 -15.202 -6.092 -18.258 1.00 64.25 N ATOM 1585 CA ALA A 100 -14.013 -5.591 -18.936 1.00 42.21 C ATOM 1586 C ALA A 100 -14.127 -5.767 -20.447 1.00 43.31 C ATOM 1587 O ALA A 100 -13.755 -4.880 -21.215 1.00 33.41 O ATOM 1588 CB ALA A 100 -12.770 -6.297 -18.414 1.00 11.30 C ATOM 0 H ALA A 100 -15.013 -6.775 -17.525 1.00 64.25 H new ATOM 0 HA ALA A 100 -13.928 -4.525 -18.725 1.00 42.21 H new ATOM 0 HB1 ALA A 100 -11.890 -5.913 -18.929 1.00 11.30 H new ATOM 0 HB2 ALA A 100 -12.671 -6.116 -17.344 1.00 11.30 H new ATOM 0 HB3 ALA A 100 -12.857 -7.368 -18.595 1.00 11.30 H new ATOM 1594 N LEU A 101 -14.644 -6.916 -20.866 1.00 25.20 N ATOM 1595 CA LEU A 101 -14.807 -7.209 -22.287 1.00 50.53 C ATOM 1596 C LEU A 101 -15.834 -6.277 -22.920 1.00 75.51 C ATOM 1597 O LEU A 101 -15.591 -5.697 -23.978 1.00 12.03 O ATOM 1598 CB LEU A 101 -15.234 -8.665 -22.482 1.00 51.00 C ATOM 1599 CG LEU A 101 -14.228 -9.725 -22.033 1.00 44.30 C ATOM 1600 CD1 LEU A 101 -14.937 -11.033 -21.717 1.00 62.12 C ATOM 1601 CD2 LEU A 101 -13.164 -9.937 -23.100 1.00 62.11 C ATOM 0 H LEU A 101 -14.958 -7.660 -20.243 1.00 25.20 H new ATOM 0 HA LEU A 101 -13.847 -7.050 -22.778 1.00 50.53 H new ATOM 0 HB2 LEU A 101 -16.166 -8.825 -21.940 1.00 51.00 H new ATOM 0 HB3 LEU A 101 -15.449 -8.821 -23.539 1.00 51.00 H new ATOM 0 HG LEU A 101 -13.738 -9.372 -21.125 1.00 44.30 H new ATOM 0 HD11 LEU A 101 -14.205 -11.776 -21.399 1.00 62.12 H new ATOM 0 HD12 LEU A 101 -15.660 -10.871 -20.918 1.00 62.12 H new ATOM 0 HD13 LEU A 101 -15.454 -11.391 -22.607 1.00 62.12 H new ATOM 0 HD21 LEU A 101 -12.457 -10.695 -22.763 1.00 62.11 H new ATOM 0 HD22 LEU A 101 -13.637 -10.268 -24.025 1.00 62.11 H new ATOM 0 HD23 LEU A 101 -12.635 -9.001 -23.278 1.00 62.11 H new ATOM 1613 N ASP A 102 -16.980 -6.136 -22.264 1.00 32.44 N ATOM 1614 CA ASP A 102 -18.044 -5.270 -22.761 1.00 50.11 C ATOM 1615 C ASP A 102 -17.558 -3.829 -22.887 1.00 12.52 C ATOM 1616 O ASP A 102 -18.027 -3.076 -23.741 1.00 41.41 O ATOM 1617 CB ASP A 102 -19.258 -5.334 -21.833 1.00 14.02 C ATOM 1618 CG ASP A 102 -20.304 -6.319 -22.314 1.00 12.14 C ATOM 1619 OD1 ASP A 102 -20.610 -6.314 -23.526 1.00 13.50 O ATOM 1620 OD2 ASP A 102 -20.818 -7.094 -21.481 1.00 34.05 O ATOM 0 H ASP A 102 -17.197 -6.610 -21.387 1.00 32.44 H new ATOM 0 HA ASP A 102 -18.334 -5.623 -23.750 1.00 50.11 H new ATOM 0 HB2 ASP A 102 -18.932 -5.615 -20.832 1.00 14.02 H new ATOM 0 HB3 ASP A 102 -19.705 -4.343 -21.756 1.00 14.02 H new ATOM 1625 N LYS A 103 -16.618 -3.451 -22.029 1.00 71.43 N ATOM 1626 CA LYS A 103 -16.067 -2.100 -22.042 1.00 42.12 C ATOM 1627 C LYS A 103 -15.185 -1.884 -23.268 1.00 1.53 C ATOM 1628 O LYS A 103 -15.491 -1.055 -24.126 1.00 55.44 O ATOM 1629 CB LYS A 103 -15.259 -1.844 -20.768 1.00 60.40 C ATOM 1630 CG LYS A 103 -15.706 -0.612 -20.001 1.00 20.14 C ATOM 1631 CD LYS A 103 -16.776 -0.951 -18.976 1.00 63.31 C ATOM 1632 CE LYS A 103 -17.214 0.281 -18.201 1.00 13.52 C ATOM 1633 NZ LYS A 103 -18.606 0.687 -18.544 1.00 23.03 N ATOM 0 H LYS A 103 -16.221 -4.061 -21.315 1.00 71.43 H new ATOM 0 HA LYS A 103 -16.898 -1.396 -22.085 1.00 42.12 H new ATOM 0 HB2 LYS A 103 -15.337 -2.715 -20.117 1.00 60.40 H new ATOM 0 HB3 LYS A 103 -14.207 -1.736 -21.031 1.00 60.40 H new ATOM 0 HG2 LYS A 103 -14.849 -0.164 -19.499 1.00 20.14 H new ATOM 0 HG3 LYS A 103 -16.091 0.132 -20.698 1.00 20.14 H new ATOM 0 HD2 LYS A 103 -17.637 -1.391 -19.479 1.00 63.31 H new ATOM 0 HD3 LYS A 103 -16.394 -1.701 -18.284 1.00 63.31 H new ATOM 0 HE2 LYS A 103 -17.147 0.080 -17.132 1.00 13.52 H new ATOM 0 HE3 LYS A 103 -16.533 1.105 -18.413 1.00 13.52 H new ATOM 0 HZ1 LYS A 103 -18.867 1.531 -17.995 1.00 23.03 H new ATOM 0 HZ2 LYS A 103 -18.664 0.904 -19.560 1.00 23.03 H new ATOM 0 HZ3 LYS A 103 -19.260 -0.089 -18.318 1.00 23.03 H new ATOM 1647 N ILE A 104 -14.093 -2.637 -23.346 1.00 1.03 N ATOM 1648 CA ILE A 104 -13.170 -2.529 -24.469 1.00 62.12 C ATOM 1649 C ILE A 104 -13.895 -2.710 -25.797 1.00 14.52 C ATOM 1650 O ILE A 104 -13.612 -2.013 -26.770 1.00 2.35 O ATOM 1651 CB ILE A 104 -12.038 -3.569 -24.369 1.00 13.31 C ATOM 1652 CG1 ILE A 104 -11.283 -3.408 -23.048 1.00 31.23 C ATOM 1653 CG2 ILE A 104 -11.087 -3.431 -25.549 1.00 1.33 C ATOM 1654 CD1 ILE A 104 -10.269 -4.501 -22.795 1.00 52.10 C ATOM 0 H ILE A 104 -13.826 -3.328 -22.645 1.00 1.03 H new ATOM 0 HA ILE A 104 -12.739 -1.529 -24.427 1.00 62.12 H new ATOM 0 HB ILE A 104 -12.477 -4.566 -24.395 1.00 13.31 H new ATOM 0 HG12 ILE A 104 -10.775 -2.444 -23.045 1.00 31.23 H new ATOM 0 HG13 ILE A 104 -12.001 -3.393 -22.228 1.00 31.23 H new ATOM 0 HG21 ILE A 104 -10.292 -4.172 -25.465 1.00 1.33 H new ATOM 0 HG22 ILE A 104 -11.634 -3.590 -26.478 1.00 1.33 H new ATOM 0 HG23 ILE A 104 -10.652 -2.432 -25.551 1.00 1.33 H new ATOM 0 HD11 ILE A 104 -9.772 -4.323 -21.841 1.00 52.10 H new ATOM 0 HD12 ILE A 104 -10.774 -5.466 -22.766 1.00 52.10 H new ATOM 0 HD13 ILE A 104 -9.529 -4.503 -23.595 1.00 52.10 H new