USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=19 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 69 GLN :FLIP amide:sc= -1.01 F(o=-2.5,f=-1.6) USER MOD Set 1.2: A 70 THR OG1 : rot -85:sc= -0.583 USER MOD Set 2.1: A 29 TYR OH : rot 146:sc= 0.254 USER MOD Set 2.2: A 97 THR OG1 : rot 115:sc= 0.772 USER MOD Single : A 9 SER OG : rot 180:sc= -0.284 USER MOD Single : A 15 LYS NZ :NH3+ 138:sc=-0.00903 (180deg=-1.3!) 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= 0.481 K(o=0.48,f=-4.4!) 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= -0.48 K(o=-0.48,f=-8!) USER MOD Single : A 38 SER OG : rot -70:sc= 0.00715 USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.497 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.392 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0.22) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.774 USER MOD Single : A 80 ASN : amide:sc= -3.73! C(o=-3.7!,f=-3.9!) USER MOD Single : A 81 THR OG1 : rot 77:sc= 0.895 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 HIS : +bothHN:sc= 0.408 K(o=0.41,f=-5.8!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,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+ -179:sc= 0.84 (180deg=0.84) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 9.730 5.320 -7.540 1.00 53.03 N ATOM 64 CA VAL A 7 9.068 5.998 -8.647 1.00 25.44 C ATOM 65 C VAL A 7 9.655 7.386 -8.873 1.00 41.31 C ATOM 66 O VAL A 7 10.162 7.690 -9.953 1.00 52.23 O ATOM 67 CB VAL A 7 7.553 6.125 -8.402 1.00 50.11 C ATOM 68 CG1 VAL A 7 6.898 6.931 -9.514 1.00 41.53 C ATOM 69 CG2 VAL A 7 6.914 4.750 -8.283 1.00 51.35 C ATOM 0 HA VAL A 7 9.234 5.389 -9.536 1.00 25.44 H new ATOM 0 HB VAL A 7 7.399 6.654 -7.462 1.00 50.11 H new ATOM 0 HG11 VAL A 7 5.828 7.010 -9.324 1.00 41.53 H new ATOM 0 HG12 VAL A 7 7.336 7.929 -9.546 1.00 41.53 H new ATOM 0 HG13 VAL A 7 7.061 6.432 -10.469 1.00 41.53 H new ATOM 0 HG21 VAL A 7 5.843 4.860 -8.110 1.00 51.35 H new ATOM 0 HG22 VAL A 7 7.077 4.192 -9.205 1.00 51.35 H new ATOM 0 HG23 VAL A 7 7.363 4.211 -7.449 1.00 51.35 H new ATOM 79 N LEU A 8 9.582 8.226 -7.846 1.00 54.41 N ATOM 80 CA LEU A 8 10.107 9.584 -7.931 1.00 40.23 C ATOM 81 C LEU A 8 11.391 9.724 -7.118 1.00 23.24 C ATOM 82 O LEU A 8 11.499 9.191 -6.015 1.00 34.11 O ATOM 83 CB LEU A 8 9.064 10.588 -7.433 1.00 31.43 C ATOM 84 CG LEU A 8 7.754 10.638 -8.220 1.00 24.11 C ATOM 85 CD1 LEU A 8 6.853 11.740 -7.685 1.00 3.24 C ATOM 86 CD2 LEU A 8 8.029 10.844 -9.702 1.00 2.24 C ATOM 0 H LEU A 8 9.165 7.991 -6.946 1.00 54.41 H new ATOM 0 HA LEU A 8 10.335 9.793 -8.976 1.00 40.23 H new ATOM 0 HB2 LEU A 8 8.832 10.356 -6.394 1.00 31.43 H new ATOM 0 HB3 LEU A 8 9.511 11.582 -7.445 1.00 31.43 H new ATOM 0 HG LEU A 8 7.241 9.684 -8.096 1.00 24.11 H new ATOM 0 HD11 LEU A 8 5.925 11.761 -8.257 1.00 3.24 H new ATOM 0 HD12 LEU A 8 6.628 11.549 -6.636 1.00 3.24 H new ATOM 0 HD13 LEU A 8 7.359 12.701 -7.779 1.00 3.24 H new ATOM 0 HD21 LEU A 8 7.085 10.877 -10.246 1.00 2.24 H new ATOM 0 HD22 LEU A 8 8.564 11.783 -9.846 1.00 2.24 H new ATOM 0 HD23 LEU A 8 8.636 10.020 -10.077 1.00 2.24 H new ATOM 98 N SER A 9 12.360 10.445 -7.673 1.00 10.30 N ATOM 99 CA SER A 9 13.637 10.654 -7.001 1.00 24.21 C ATOM 100 C SER A 9 13.563 11.847 -6.052 1.00 74.21 C ATOM 101 O SER A 9 12.535 12.514 -5.954 1.00 3.04 O ATOM 102 CB SER A 9 14.749 10.874 -8.029 1.00 42.20 C ATOM 103 OG SER A 9 14.870 12.245 -8.364 1.00 55.12 O ATOM 0 H SER A 9 12.285 10.894 -8.586 1.00 10.30 H new ATOM 0 HA SER A 9 13.863 9.761 -6.418 1.00 24.21 H new ATOM 0 HB2 SER A 9 15.695 10.509 -7.629 1.00 42.20 H new ATOM 0 HB3 SER A 9 14.538 10.294 -8.927 1.00 42.20 H new ATOM 0 HG SER A 9 15.588 12.359 -9.021 1.00 55.12 H new ATOM 109 N GLY A 10 14.665 12.108 -5.354 1.00 4.41 N ATOM 110 CA GLY A 10 14.705 13.220 -4.422 1.00 42.34 C ATOM 111 C GLY A 10 14.261 14.524 -5.054 1.00 3.41 C ATOM 112 O GLY A 10 13.486 15.276 -4.466 1.00 50.54 O ATOM 0 H GLY A 10 15.529 11.570 -5.417 1.00 4.41 H new ATOM 0 HA2 GLY A 10 14.065 12.997 -3.568 1.00 42.34 H new ATOM 0 HA3 GLY A 10 15.719 13.333 -4.039 1.00 42.34 H new ATOM 116 N GLY A 11 14.756 14.794 -6.259 1.00 23.11 N ATOM 117 CA GLY A 11 14.395 16.018 -6.952 1.00 44.00 C ATOM 118 C GLY A 11 12.966 15.999 -7.455 1.00 43.25 C ATOM 119 O GLY A 11 12.226 16.967 -7.278 1.00 13.22 O ATOM 0 H GLY A 11 15.400 14.188 -6.767 1.00 23.11 H new ATOM 0 HA2 GLY A 11 14.529 16.866 -6.280 1.00 44.00 H new ATOM 0 HA3 GLY A 11 15.071 16.168 -7.794 1.00 44.00 H new ATOM 123 N GLU A 12 12.575 14.896 -8.085 1.00 31.55 N ATOM 124 CA GLU A 12 11.225 14.758 -8.618 1.00 51.43 C ATOM 125 C GLU A 12 10.188 14.841 -7.501 1.00 75.02 C ATOM 126 O GLU A 12 9.087 15.356 -7.698 1.00 60.45 O ATOM 127 CB GLU A 12 11.081 13.431 -9.366 1.00 71.43 C ATOM 128 CG GLU A 12 12.208 13.159 -10.348 1.00 42.43 C ATOM 129 CD GLU A 12 11.990 11.892 -11.150 1.00 63.33 C ATOM 130 OE1 GLU A 12 12.032 10.797 -10.551 1.00 25.22 O ATOM 131 OE2 GLU A 12 11.777 11.994 -12.376 1.00 11.20 O ATOM 0 H GLU A 12 13.174 14.085 -8.239 1.00 31.55 H new ATOM 0 HA GLU A 12 11.051 15.579 -9.314 1.00 51.43 H new ATOM 0 HB2 GLU A 12 11.038 12.618 -8.641 1.00 71.43 H new ATOM 0 HB3 GLU A 12 10.133 13.428 -9.904 1.00 71.43 H new ATOM 0 HG2 GLU A 12 12.303 14.004 -11.030 1.00 42.43 H new ATOM 0 HG3 GLU A 12 13.149 13.082 -9.803 1.00 42.43 H new ATOM 138 N LEU A 13 10.549 14.331 -6.329 1.00 72.45 N ATOM 139 CA LEU A 13 9.650 14.345 -5.179 1.00 32.13 C ATOM 140 C LEU A 13 9.189 15.766 -4.867 1.00 31.44 C ATOM 141 O LEU A 13 8.003 16.008 -4.645 1.00 50.22 O ATOM 142 CB LEU A 13 10.345 13.742 -3.957 1.00 54.13 C ATOM 143 CG LEU A 13 9.450 13.456 -2.750 1.00 31.31 C ATOM 144 CD1 LEU A 13 8.486 12.321 -3.059 1.00 42.33 C ATOM 145 CD2 LEU A 13 10.294 13.124 -1.528 1.00 25.33 C ATOM 0 H LEU A 13 11.457 13.903 -6.149 1.00 72.45 H new ATOM 0 HA LEU A 13 8.774 13.744 -5.425 1.00 32.13 H new ATOM 0 HB2 LEU A 13 10.823 12.810 -4.259 1.00 54.13 H new ATOM 0 HB3 LEU A 13 11.138 14.420 -3.643 1.00 54.13 H new ATOM 0 HG LEU A 13 8.868 14.351 -2.532 1.00 31.31 H new ATOM 0 HD11 LEU A 13 7.857 12.131 -2.189 1.00 42.33 H new ATOM 0 HD12 LEU A 13 7.859 12.597 -3.907 1.00 42.33 H new ATOM 0 HD13 LEU A 13 9.050 11.421 -3.302 1.00 42.33 H new ATOM 0 HD21 LEU A 13 9.641 12.923 -0.679 1.00 25.33 H new ATOM 0 HD22 LEU A 13 10.902 12.243 -1.734 1.00 25.33 H new ATOM 0 HD23 LEU A 13 10.944 13.967 -1.295 1.00 25.33 H new ATOM 157 N ASP A 14 10.134 16.699 -4.854 1.00 13.32 N ATOM 158 CA ASP A 14 9.825 18.096 -4.572 1.00 1.31 C ATOM 159 C ASP A 14 8.674 18.584 -5.447 1.00 63.12 C ATOM 160 O ASP A 14 7.688 19.129 -4.948 1.00 52.22 O ATOM 161 CB ASP A 14 11.060 18.970 -4.798 1.00 42.14 C ATOM 162 CG ASP A 14 11.827 19.228 -3.517 1.00 55.22 C ATOM 163 OD1 ASP A 14 11.272 19.890 -2.616 1.00 64.21 O ATOM 164 OD2 ASP A 14 12.985 18.770 -3.416 1.00 21.11 O ATOM 0 H ASP A 14 11.120 16.514 -5.035 1.00 13.32 H new ATOM 0 HA ASP A 14 9.522 18.172 -3.528 1.00 1.31 H new ATOM 0 HB2 ASP A 14 11.717 18.486 -5.521 1.00 42.14 H new ATOM 0 HB3 ASP A 14 10.754 19.921 -5.233 1.00 42.14 H new ATOM 169 N LYS A 15 8.805 18.387 -6.754 1.00 20.22 N ATOM 170 CA LYS A 15 7.777 18.806 -7.699 1.00 75.02 C ATOM 171 C LYS A 15 6.437 18.158 -7.368 1.00 42.20 C ATOM 172 O LYS A 15 5.417 18.839 -7.262 1.00 0.55 O ATOM 173 CB LYS A 15 8.191 18.445 -9.127 1.00 35.01 C ATOM 174 CG LYS A 15 8.401 19.653 -10.024 1.00 54.23 C ATOM 175 CD LYS A 15 9.754 20.300 -9.778 1.00 1.30 C ATOM 176 CE LYS A 15 10.859 19.596 -10.550 1.00 2.04 C ATOM 177 NZ LYS A 15 11.032 20.166 -11.915 1.00 54.33 N ATOM 0 H LYS A 15 9.614 17.939 -7.184 1.00 20.22 H new ATOM 0 HA LYS A 15 7.666 19.888 -7.621 1.00 75.02 H new ATOM 0 HB2 LYS A 15 9.112 17.864 -9.093 1.00 35.01 H new ATOM 0 HB3 LYS A 15 7.426 17.805 -9.567 1.00 35.01 H new ATOM 0 HG2 LYS A 15 8.326 19.350 -11.068 1.00 54.23 H new ATOM 0 HG3 LYS A 15 7.610 20.382 -9.846 1.00 54.23 H new ATOM 0 HD2 LYS A 15 9.715 21.349 -10.072 1.00 1.30 H new ATOM 0 HD3 LYS A 15 9.981 20.276 -8.712 1.00 1.30 H new ATOM 0 HE2 LYS A 15 11.796 19.680 -10.000 1.00 2.04 H new ATOM 0 HE3 LYS A 15 10.628 18.533 -10.627 1.00 2.04 H new ATOM 0 HZ1 LYS A 15 12.046 20.253 -12.129 1.00 54.33 H new ATOM 0 HZ2 LYS A 15 10.583 19.539 -12.613 1.00 54.33 H new ATOM 0 HZ3 LYS A 15 10.588 21.105 -11.958 1.00 54.33 H new ATOM 191 N TRP A 16 6.447 16.840 -7.203 1.00 44.15 N ATOM 192 CA TRP A 16 5.231 16.102 -6.882 1.00 0.10 C ATOM 193 C TRP A 16 4.492 16.749 -5.715 1.00 21.04 C ATOM 194 O TRP A 16 3.332 17.140 -5.845 1.00 73.24 O ATOM 195 CB TRP A 16 5.567 14.648 -6.545 1.00 64.22 C ATOM 196 CG TRP A 16 4.359 13.817 -6.231 1.00 31.33 C ATOM 197 CD1 TRP A 16 3.996 13.328 -5.008 1.00 31.23 C ATOM 198 CD2 TRP A 16 3.359 13.375 -7.156 1.00 51.24 C ATOM 199 NE1 TRP A 16 2.830 12.609 -5.117 1.00 4.44 N ATOM 200 CE2 TRP A 16 2.418 12.624 -6.424 1.00 51.23 C ATOM 201 CE3 TRP A 16 3.165 13.543 -8.529 1.00 72.13 C ATOM 202 CZ2 TRP A 16 1.303 12.043 -7.022 1.00 35.10 C ATOM 203 CZ3 TRP A 16 2.059 12.965 -9.121 1.00 54.02 C ATOM 204 CH2 TRP A 16 1.139 12.223 -8.368 1.00 30.03 C ATOM 0 H TRP A 16 7.283 16.261 -7.286 1.00 44.15 H new ATOM 0 HA TRP A 16 4.581 16.125 -7.756 1.00 0.10 H new ATOM 0 HB2 TRP A 16 6.098 14.201 -7.385 1.00 64.22 H new ATOM 0 HB3 TRP A 16 6.245 14.628 -5.692 1.00 64.22 H new ATOM 0 HD1 TRP A 16 4.545 13.484 -4.091 1.00 31.23 H new ATOM 0 HE1 TRP A 16 2.349 12.140 -4.349 1.00 4.44 H new ATOM 0 HE3 TRP A 16 3.867 14.115 -9.117 1.00 72.13 H new ATOM 0 HZ2 TRP A 16 0.593 11.471 -6.444 1.00 35.10 H new ATOM 0 HZ3 TRP A 16 1.900 13.087 -10.182 1.00 54.02 H new ATOM 0 HH2 TRP A 16 0.283 11.785 -8.860 1.00 30.03 H new ATOM 215 N GLU A 17 5.171 16.860 -4.578 1.00 12.14 N ATOM 216 CA GLU A 17 4.577 17.461 -3.390 1.00 72.33 C ATOM 217 C GLU A 17 4.132 18.893 -3.669 1.00 25.22 C ATOM 218 O GLU A 17 3.275 19.436 -2.971 1.00 0.31 O ATOM 219 CB GLU A 17 5.574 17.442 -2.230 1.00 53.24 C ATOM 220 CG GLU A 17 5.749 16.071 -1.599 1.00 52.23 C ATOM 221 CD GLU A 17 6.327 16.143 -0.199 1.00 64.42 C ATOM 222 OE1 GLU A 17 5.574 16.487 0.736 1.00 45.21 O ATOM 223 OE2 GLU A 17 7.531 15.854 -0.038 1.00 51.24 O ATOM 0 H GLU A 17 6.132 16.542 -4.454 1.00 12.14 H new ATOM 0 HA GLU A 17 3.700 16.874 -3.116 1.00 72.33 H new ATOM 0 HB2 GLU A 17 6.542 17.794 -2.588 1.00 53.24 H new ATOM 0 HB3 GLU A 17 5.242 18.145 -1.466 1.00 53.24 H new ATOM 0 HG2 GLU A 17 4.784 15.565 -1.564 1.00 52.23 H new ATOM 0 HG3 GLU A 17 6.403 15.467 -2.228 1.00 52.23 H new ATOM 230 N LYS A 18 4.719 19.501 -4.695 1.00 73.31 N ATOM 231 CA LYS A 18 4.383 20.869 -5.068 1.00 13.43 C ATOM 232 C LYS A 18 2.991 20.939 -5.688 1.00 74.25 C ATOM 233 O LYS A 18 2.065 21.489 -5.093 1.00 45.33 O ATOM 234 CB LYS A 18 5.419 21.419 -6.052 1.00 2.35 C ATOM 235 CG LYS A 18 6.032 22.738 -5.615 1.00 1.21 C ATOM 236 CD LYS A 18 7.347 22.527 -4.883 1.00 61.22 C ATOM 237 CE LYS A 18 8.108 23.832 -4.716 1.00 55.23 C ATOM 238 NZ LYS A 18 9.005 23.804 -3.528 1.00 33.44 N ATOM 0 H LYS A 18 5.430 19.067 -5.283 1.00 73.31 H new ATOM 0 HA LYS A 18 4.389 21.477 -4.164 1.00 13.43 H new ATOM 0 HB2 LYS A 18 6.213 20.683 -6.179 1.00 2.35 H new ATOM 0 HB3 LYS A 18 4.948 21.552 -7.026 1.00 2.35 H new ATOM 0 HG2 LYS A 18 6.198 23.370 -6.488 1.00 1.21 H new ATOM 0 HG3 LYS A 18 5.334 23.267 -4.966 1.00 1.21 H new ATOM 0 HD2 LYS A 18 7.153 22.090 -3.903 1.00 61.22 H new ATOM 0 HD3 LYS A 18 7.961 21.815 -5.434 1.00 61.22 H new ATOM 0 HE2 LYS A 18 8.698 24.025 -5.612 1.00 55.23 H new ATOM 0 HE3 LYS A 18 7.400 24.655 -4.617 1.00 55.23 H new ATOM 0 HZ1 LYS A 18 9.506 24.712 -3.450 1.00 33.44 H new ATOM 0 HZ2 LYS A 18 8.440 23.645 -2.670 1.00 33.44 H new ATOM 0 HZ3 LYS A 18 9.697 23.035 -3.634 1.00 33.44 H new ATOM 252 N ILE A 19 2.852 20.376 -6.883 1.00 24.40 N ATOM 253 CA ILE A 19 1.572 20.372 -7.581 1.00 60.35 C ATOM 254 C ILE A 19 0.414 20.212 -6.602 1.00 45.23 C ATOM 255 O ILE A 19 0.458 19.372 -5.703 1.00 4.23 O ATOM 256 CB ILE A 19 1.504 19.244 -8.626 1.00 30.15 C ATOM 257 CG1 ILE A 19 2.587 19.439 -9.689 1.00 13.04 C ATOM 258 CG2 ILE A 19 0.125 19.199 -9.269 1.00 15.45 C ATOM 259 CD1 ILE A 19 2.836 18.207 -10.531 1.00 52.14 C ATOM 0 H ILE A 19 3.610 19.917 -7.388 1.00 24.40 H new ATOM 0 HA ILE A 19 1.487 21.332 -8.089 1.00 60.35 H new ATOM 0 HB ILE A 19 1.680 18.293 -8.124 1.00 30.15 H new ATOM 0 HG12 ILE A 19 2.300 20.263 -10.342 1.00 13.04 H new ATOM 0 HG13 ILE A 19 3.517 19.729 -9.200 1.00 13.04 H new ATOM 0 HG21 ILE A 19 0.093 18.396 -10.006 1.00 15.45 H new ATOM 0 HG22 ILE A 19 -0.628 19.018 -8.502 1.00 15.45 H new ATOM 0 HG23 ILE A 19 -0.079 20.150 -9.760 1.00 15.45 H new ATOM 0 HD11 ILE A 19 3.616 18.418 -11.263 1.00 52.14 H new ATOM 0 HD12 ILE A 19 3.154 17.386 -9.889 1.00 52.14 H new ATOM 0 HD13 ILE A 19 1.918 17.928 -11.049 1.00 52.14 H new ATOM 271 N ARG A 20 -0.623 21.024 -6.782 1.00 4.24 N ATOM 272 CA ARG A 20 -1.795 20.974 -5.916 1.00 34.30 C ATOM 273 C ARG A 20 -2.835 20.001 -6.465 1.00 35.01 C ATOM 274 O ARG A 20 -2.757 19.578 -7.620 1.00 44.14 O ATOM 275 CB ARG A 20 -2.410 22.367 -5.772 1.00 33.10 C ATOM 276 CG ARG A 20 -1.488 23.372 -5.100 1.00 3.25 C ATOM 277 CD ARG A 20 -2.035 24.787 -5.207 1.00 23.44 C ATOM 278 NE ARG A 20 -0.970 25.785 -5.229 1.00 52.21 N ATOM 279 CZ ARG A 20 -1.190 27.094 -5.289 1.00 11.43 C ATOM 280 NH1 ARG A 20 -2.431 27.560 -5.333 1.00 33.14 N ATOM 281 NH2 ARG A 20 -0.167 27.940 -5.305 1.00 22.32 N ATOM 0 H ARG A 20 -0.675 21.725 -7.521 1.00 4.24 H new ATOM 0 HA ARG A 20 -1.476 20.623 -4.935 1.00 34.30 H new ATOM 0 HB2 ARG A 20 -2.681 22.739 -6.760 1.00 33.10 H new ATOM 0 HB3 ARG A 20 -3.332 22.290 -5.196 1.00 33.10 H new ATOM 0 HG2 ARG A 20 -1.363 23.107 -4.050 1.00 3.25 H new ATOM 0 HG3 ARG A 20 -0.501 23.326 -5.560 1.00 3.25 H new ATOM 0 HD2 ARG A 20 -2.634 24.876 -6.113 1.00 23.44 H new ATOM 0 HD3 ARG A 20 -2.699 24.984 -4.365 1.00 23.44 H new ATOM 0 HE ARG A 20 -0.004 25.460 -5.197 1.00 52.21 H new ATOM 0 HH11 ARG A 20 -3.219 26.913 -5.321 1.00 33.14 H new ATOM 0 HH12 ARG A 20 -2.597 28.565 -5.379 1.00 33.14 H new ATOM 0 HH21 ARG A 20 0.789 27.585 -5.271 1.00 22.32 H new ATOM 0 HH22 ARG A 20 -0.337 28.945 -5.351 1.00 22.32 H new ATOM 295 N LEU A 21 -3.807 19.650 -5.631 1.00 13.40 N ATOM 296 CA LEU A 21 -4.863 18.727 -6.031 1.00 2.52 C ATOM 297 C LEU A 21 -5.950 19.452 -6.819 1.00 52.52 C ATOM 298 O LEU A 21 -6.352 19.008 -7.894 1.00 64.34 O ATOM 299 CB LEU A 21 -5.473 18.053 -4.800 1.00 31.34 C ATOM 300 CG LEU A 21 -4.589 17.026 -4.092 1.00 63.21 C ATOM 301 CD1 LEU A 21 -5.119 16.739 -2.695 1.00 5.32 C ATOM 302 CD2 LEU A 21 -4.504 15.743 -4.906 1.00 33.01 C ATOM 0 H LEU A 21 -3.886 19.991 -4.673 1.00 13.40 H new ATOM 0 HA LEU A 21 -4.421 17.965 -6.673 1.00 2.52 H new ATOM 0 HB2 LEU A 21 -5.742 18.828 -4.082 1.00 31.34 H new ATOM 0 HB3 LEU A 21 -6.398 17.561 -5.100 1.00 31.34 H new ATOM 0 HG LEU A 21 -3.585 17.441 -4.000 1.00 63.21 H new ATOM 0 HD11 LEU A 21 -4.477 16.006 -2.206 1.00 5.32 H new ATOM 0 HD12 LEU A 21 -5.127 17.660 -2.112 1.00 5.32 H new ATOM 0 HD13 LEU A 21 -6.133 16.345 -2.764 1.00 5.32 H new ATOM 0 HD21 LEU A 21 -3.871 15.024 -4.387 1.00 33.01 H new ATOM 0 HD22 LEU A 21 -5.503 15.324 -5.030 1.00 33.01 H new ATOM 0 HD23 LEU A 21 -4.078 15.961 -5.885 1.00 33.01 H new ATOM 314 N ARG A 22 -6.420 20.571 -6.277 1.00 70.54 N ATOM 315 CA ARG A 22 -7.460 21.358 -6.929 1.00 55.02 C ATOM 316 C ARG A 22 -6.900 22.684 -7.436 1.00 52.34 C ATOM 317 O ARG A 22 -5.837 23.140 -7.013 1.00 30.44 O ATOM 318 CB ARG A 22 -8.616 21.617 -5.961 1.00 14.12 C ATOM 319 CG ARG A 22 -9.709 20.562 -6.022 1.00 52.23 C ATOM 320 CD ARG A 22 -9.852 19.831 -4.696 1.00 44.41 C ATOM 321 NE ARG A 22 -11.239 19.464 -4.421 1.00 43.34 N ATOM 322 CZ ARG A 22 -11.602 18.654 -3.434 1.00 45.14 C ATOM 323 NH1 ARG A 22 -10.687 18.130 -2.631 1.00 23.52 N ATOM 324 NH2 ARG A 22 -12.884 18.368 -3.246 1.00 24.33 N ATOM 0 H ARG A 22 -6.097 20.953 -5.388 1.00 70.54 H new ATOM 0 HA ARG A 22 -7.830 20.789 -7.782 1.00 55.02 H new ATOM 0 HB2 ARG A 22 -8.224 21.664 -4.945 1.00 14.12 H new ATOM 0 HB3 ARG A 22 -9.051 22.592 -6.180 1.00 14.12 H new ATOM 0 HG2 ARG A 22 -10.657 21.033 -6.283 1.00 52.23 H new ATOM 0 HG3 ARG A 22 -9.481 19.845 -6.811 1.00 52.23 H new ATOM 0 HD2 ARG A 22 -9.235 18.933 -4.709 1.00 44.41 H new ATOM 0 HD3 ARG A 22 -9.478 20.463 -3.891 1.00 44.41 H new ATOM 0 HE ARG A 22 -11.968 19.851 -5.020 1.00 43.34 H new ATOM 0 HH11 ARG A 22 -9.701 18.349 -2.770 1.00 23.52 H new ATOM 0 HH12 ARG A 22 -10.969 17.508 -1.874 1.00 23.52 H new ATOM 0 HH21 ARG A 22 -13.592 18.771 -3.860 1.00 24.33 H new ATOM 0 HH22 ARG A 22 -13.162 17.745 -2.487 1.00 24.33 H new ATOM 338 N PRO A 23 -7.631 23.319 -8.363 1.00 43.24 N ATOM 339 CA PRO A 23 -7.227 24.601 -8.947 1.00 4.41 C ATOM 340 C PRO A 23 -7.320 25.749 -7.947 1.00 23.12 C ATOM 341 O PRO A 23 -6.485 26.653 -7.947 1.00 2.51 O ATOM 342 CB PRO A 23 -8.230 24.803 -10.087 1.00 50.01 C ATOM 343 CG PRO A 23 -9.429 24.019 -9.679 1.00 50.13 C ATOM 344 CD PRO A 23 -8.909 22.835 -8.912 1.00 74.14 C ATOM 0 HA PRO A 23 -6.187 24.591 -9.272 1.00 4.41 H new ATOM 0 HB2 PRO A 23 -8.472 25.857 -10.219 1.00 50.01 H new ATOM 0 HB3 PRO A 23 -7.828 24.447 -11.036 1.00 50.01 H new ATOM 0 HG2 PRO A 23 -10.097 24.620 -9.062 1.00 50.13 H new ATOM 0 HG3 PRO A 23 -10.001 23.699 -10.550 1.00 50.13 H new ATOM 0 HD2 PRO A 23 -9.597 22.534 -8.122 1.00 74.14 H new ATOM 0 HD3 PRO A 23 -8.767 21.969 -9.558 1.00 74.14 H new ATOM 352 N GLY A 24 -8.341 25.706 -7.096 1.00 55.11 N ATOM 353 CA GLY A 24 -8.522 26.748 -6.102 1.00 12.11 C ATOM 354 C GLY A 24 -8.086 26.311 -4.718 1.00 71.40 C ATOM 355 O GLY A 24 -7.738 27.140 -3.879 1.00 53.04 O ATOM 0 H GLY A 24 -9.045 24.969 -7.077 1.00 55.11 H new ATOM 0 HA2 GLY A 24 -7.953 27.630 -6.397 1.00 12.11 H new ATOM 0 HA3 GLY A 24 -9.572 27.040 -6.073 1.00 12.11 H new ATOM 359 N GLY A 25 -8.108 25.004 -4.477 1.00 21.12 N ATOM 360 CA GLY A 25 -7.713 24.481 -3.182 1.00 34.42 C ATOM 361 C GLY A 25 -6.218 24.584 -2.948 1.00 2.52 C ATOM 362 O GLY A 25 -5.479 25.065 -3.807 1.00 12.12 O ATOM 0 H GLY A 25 -8.392 24.298 -5.156 1.00 21.12 H new ATOM 0 HA2 GLY A 25 -8.239 25.025 -2.398 1.00 34.42 H new ATOM 0 HA3 GLY A 25 -8.019 23.438 -3.106 1.00 34.42 H new ATOM 366 N LYS A 26 -5.772 24.133 -1.781 1.00 71.31 N ATOM 367 CA LYS A 26 -4.356 24.177 -1.433 1.00 34.14 C ATOM 368 C LYS A 26 -3.769 22.771 -1.367 1.00 33.43 C ATOM 369 O LYS A 26 -2.661 22.525 -1.844 1.00 14.34 O ATOM 370 CB LYS A 26 -4.160 24.887 -0.092 1.00 4.32 C ATOM 371 CG LYS A 26 -4.893 26.214 0.005 1.00 71.12 C ATOM 372 CD LYS A 26 -4.537 26.954 1.284 1.00 25.31 C ATOM 373 CE LYS A 26 -5.780 27.470 1.993 1.00 20.21 C ATOM 374 NZ LYS A 26 -5.546 28.796 2.628 1.00 4.51 N ATOM 0 H LYS A 26 -6.371 23.732 -1.059 1.00 71.31 H new ATOM 0 HA LYS A 26 -3.834 24.734 -2.211 1.00 34.14 H new ATOM 0 HB2 LYS A 26 -4.502 24.233 0.710 1.00 4.32 H new ATOM 0 HB3 LYS A 26 -3.095 25.057 0.068 1.00 4.32 H new ATOM 0 HG2 LYS A 26 -4.643 26.833 -0.857 1.00 71.12 H new ATOM 0 HG3 LYS A 26 -5.969 26.040 -0.029 1.00 71.12 H new ATOM 0 HD2 LYS A 26 -3.987 26.289 1.950 1.00 25.31 H new ATOM 0 HD3 LYS A 26 -3.877 27.789 1.051 1.00 25.31 H new ATOM 0 HE2 LYS A 26 -6.599 27.549 1.278 1.00 20.21 H new ATOM 0 HE3 LYS A 26 -6.089 26.753 2.753 1.00 20.21 H new ATOM 0 HZ1 LYS A 26 -6.416 29.113 3.101 1.00 4.51 H new ATOM 0 HZ2 LYS A 26 -4.781 28.715 3.328 1.00 4.51 H new ATOM 0 HZ3 LYS A 26 -5.276 29.487 1.899 1.00 4.51 H new ATOM 388 N LYS A 27 -4.519 21.848 -0.772 1.00 13.42 N ATOM 389 CA LYS A 27 -4.074 20.466 -0.646 1.00 41.24 C ATOM 390 C LYS A 27 -3.102 20.102 -1.763 1.00 64.10 C ATOM 391 O LYS A 27 -3.435 20.203 -2.944 1.00 72.44 O ATOM 392 CB LYS A 27 -5.276 19.518 -0.671 1.00 22.21 C ATOM 393 CG LYS A 27 -6.116 19.567 0.593 1.00 73.24 C ATOM 394 CD LYS A 27 -7.235 18.539 0.559 1.00 52.24 C ATOM 395 CE LYS A 27 -7.535 17.997 1.948 1.00 64.12 C ATOM 396 NZ LYS A 27 -8.152 16.642 1.893 1.00 74.43 N ATOM 0 H LYS A 27 -5.438 22.033 -0.370 1.00 13.42 H new ATOM 0 HA LYS A 27 -3.557 20.363 0.308 1.00 41.24 H new ATOM 0 HB2 LYS A 27 -5.906 19.766 -1.525 1.00 22.21 H new ATOM 0 HB3 LYS A 27 -4.921 18.499 -0.822 1.00 22.21 H new ATOM 0 HG2 LYS A 27 -5.481 19.386 1.460 1.00 73.24 H new ATOM 0 HG3 LYS A 27 -6.540 20.564 0.711 1.00 73.24 H new ATOM 0 HD2 LYS A 27 -8.134 18.992 0.142 1.00 52.24 H new ATOM 0 HD3 LYS A 27 -6.956 17.718 -0.101 1.00 52.24 H new ATOM 0 HE2 LYS A 27 -6.613 17.953 2.528 1.00 64.12 H new ATOM 0 HE3 LYS A 27 -8.206 18.681 2.468 1.00 64.12 H new ATOM 0 HZ1 LYS A 27 -8.341 16.307 2.859 1.00 74.43 H new ATOM 0 HZ2 LYS A 27 -9.045 16.688 1.361 1.00 74.43 H new ATOM 0 HZ3 LYS A 27 -7.501 15.983 1.420 1.00 74.43 H new ATOM 410 N GLN A 28 -1.902 19.677 -1.381 1.00 0.04 N ATOM 411 CA GLN A 28 -0.882 19.297 -2.353 1.00 63.15 C ATOM 412 C GLN A 28 -0.873 17.787 -2.569 1.00 31.22 C ATOM 413 O GLN A 28 -1.640 17.055 -1.943 1.00 0.52 O ATOM 414 CB GLN A 28 0.496 19.766 -1.886 1.00 13.34 C ATOM 415 CG GLN A 28 0.467 21.089 -1.136 1.00 32.32 C ATOM 416 CD GLN A 28 0.496 20.905 0.369 1.00 11.10 C ATOM 417 OE1 GLN A 28 -0.496 20.498 0.975 1.00 32.02 O ATOM 418 NE2 GLN A 28 1.636 21.206 0.981 1.00 1.32 N ATOM 0 H GLN A 28 -1.612 19.587 -0.407 1.00 0.04 H new ATOM 0 HA GLN A 28 -1.120 19.780 -3.301 1.00 63.15 H new ATOM 0 HB2 GLN A 28 0.931 19.002 -1.242 1.00 13.34 H new ATOM 0 HB3 GLN A 28 1.150 19.863 -2.752 1.00 13.34 H new ATOM 0 HG2 GLN A 28 1.320 21.695 -1.441 1.00 32.32 H new ATOM 0 HG3 GLN A 28 -0.431 21.641 -1.414 1.00 32.32 H new ATOM 0 HE21 GLN A 28 2.433 21.540 0.439 1.00 1.32 H new ATOM 0 HE22 GLN A 28 1.714 21.103 1.993 1.00 1.32 H new ATOM 427 N TYR A 29 0.002 17.328 -3.458 1.00 4.20 N ATOM 428 CA TYR A 29 0.109 15.906 -3.759 1.00 72.41 C ATOM 429 C TYR A 29 1.009 15.202 -2.747 1.00 0.11 C ATOM 430 O TYR A 29 1.957 15.790 -2.226 1.00 45.23 O ATOM 431 CB TYR A 29 0.656 15.701 -5.173 1.00 41.20 C ATOM 432 CG TYR A 29 -0.417 15.427 -6.203 1.00 51.43 C ATOM 433 CD1 TYR A 29 -1.088 14.210 -6.228 1.00 74.11 C ATOM 434 CD2 TYR A 29 -0.759 16.383 -7.151 1.00 61.14 C ATOM 435 CE1 TYR A 29 -2.068 13.955 -7.167 1.00 24.42 C ATOM 436 CE2 TYR A 29 -1.739 16.136 -8.092 1.00 1.11 C ATOM 437 CZ TYR A 29 -2.390 14.921 -8.096 1.00 24.44 C ATOM 438 OH TYR A 29 -3.366 14.671 -9.034 1.00 21.22 O ATOM 0 H TYR A 29 0.647 17.920 -3.982 1.00 4.20 H new ATOM 0 HA TYR A 29 -0.889 15.472 -3.697 1.00 72.41 H new ATOM 0 HB2 TYR A 29 1.215 16.589 -5.470 1.00 41.20 H new ATOM 0 HB3 TYR A 29 1.360 14.869 -5.164 1.00 41.20 H new ATOM 0 HD1 TYR A 29 -0.839 13.451 -5.501 1.00 74.11 H new ATOM 0 HD2 TYR A 29 -0.250 17.335 -7.152 1.00 61.14 H new ATOM 0 HE1 TYR A 29 -2.579 13.004 -7.173 1.00 24.42 H new ATOM 0 HE2 TYR A 29 -1.994 16.891 -8.821 1.00 1.11 H new ATOM 0 HH TYR A 29 -3.850 15.500 -9.232 1.00 21.22 H new ATOM 448 N LYS A 30 0.706 13.936 -2.475 1.00 12.40 N ATOM 449 CA LYS A 30 1.487 13.149 -1.529 1.00 50.24 C ATOM 450 C LYS A 30 1.642 11.712 -2.015 1.00 20.13 C ATOM 451 O LYS A 30 0.991 11.296 -2.974 1.00 10.53 O ATOM 452 CB LYS A 30 0.821 13.163 -0.151 1.00 13.20 C ATOM 453 CG LYS A 30 1.324 14.274 0.756 1.00 22.43 C ATOM 454 CD LYS A 30 0.512 14.358 2.038 1.00 0.35 C ATOM 455 CE LYS A 30 -0.918 14.798 1.763 1.00 1.33 C ATOM 456 NZ LYS A 30 -1.651 15.119 3.019 1.00 12.14 N ATOM 0 H LYS A 30 -0.075 13.434 -2.897 1.00 12.40 H new ATOM 0 HA LYS A 30 2.478 13.597 -1.452 1.00 50.24 H new ATOM 0 HB2 LYS A 30 -0.256 13.269 -0.278 1.00 13.20 H new ATOM 0 HB3 LYS A 30 0.992 12.203 0.336 1.00 13.20 H new ATOM 0 HG2 LYS A 30 2.372 14.100 0.999 1.00 22.43 H new ATOM 0 HG3 LYS A 30 1.273 15.227 0.229 1.00 22.43 H new ATOM 0 HD2 LYS A 30 0.506 13.386 2.531 1.00 0.35 H new ATOM 0 HD3 LYS A 30 0.985 15.061 2.724 1.00 0.35 H new ATOM 0 HE2 LYS A 30 -0.910 15.673 1.113 1.00 1.33 H new ATOM 0 HE3 LYS A 30 -1.444 14.008 1.227 1.00 1.33 H new ATOM 0 HZ1 LYS A 30 -2.621 15.415 2.789 1.00 12.14 H new ATOM 0 HZ2 LYS A 30 -1.681 14.277 3.628 1.00 12.14 H new ATOM 0 HZ3 LYS A 30 -1.163 15.890 3.518 1.00 12.14 H new ATOM 470 N LEU A 31 2.507 10.956 -1.346 1.00 4.44 N ATOM 471 CA LEU A 31 2.746 9.564 -1.710 1.00 63.32 C ATOM 472 C LEU A 31 1.434 8.788 -1.787 1.00 12.15 C ATOM 473 O LEU A 31 1.251 7.944 -2.665 1.00 12.04 O ATOM 474 CB LEU A 31 3.681 8.905 -0.694 1.00 14.33 C ATOM 475 CG LEU A 31 4.788 8.024 -1.274 1.00 0.11 C ATOM 476 CD1 LEU A 31 5.948 8.878 -1.764 1.00 62.24 C ATOM 477 CD2 LEU A 31 5.265 7.016 -0.238 1.00 2.24 C ATOM 0 H LEU A 31 3.054 11.284 -0.550 1.00 4.44 H new ATOM 0 HA LEU A 31 3.216 9.547 -2.693 1.00 63.32 H new ATOM 0 HB2 LEU A 31 4.144 9.689 -0.095 1.00 14.33 H new ATOM 0 HB3 LEU A 31 3.080 8.299 -0.016 1.00 14.33 H new ATOM 0 HG LEU A 31 4.382 7.476 -2.125 1.00 0.11 H new ATOM 0 HD11 LEU A 31 6.726 8.234 -2.173 1.00 62.24 H new ATOM 0 HD12 LEU A 31 5.596 9.560 -2.539 1.00 62.24 H new ATOM 0 HD13 LEU A 31 6.354 9.453 -0.932 1.00 62.24 H new ATOM 0 HD21 LEU A 31 6.053 6.397 -0.668 1.00 2.24 H new ATOM 0 HD22 LEU A 31 5.653 7.545 0.632 1.00 2.24 H new ATOM 0 HD23 LEU A 31 4.431 6.383 0.065 1.00 2.24 H new ATOM 489 N LYS A 32 0.524 9.081 -0.865 1.00 22.13 N ATOM 490 CA LYS A 32 -0.773 8.414 -0.831 1.00 51.30 C ATOM 491 C LYS A 32 -1.393 8.359 -2.223 1.00 12.34 C ATOM 492 O LYS A 32 -2.093 7.405 -2.565 1.00 42.20 O ATOM 493 CB LYS A 32 -1.716 9.139 0.131 1.00 51.32 C ATOM 494 CG LYS A 32 -2.430 8.210 1.098 1.00 14.42 C ATOM 495 CD LYS A 32 -1.878 8.343 2.508 1.00 25.51 C ATOM 496 CE LYS A 32 -0.532 7.647 2.646 1.00 64.33 C ATOM 497 NZ LYS A 32 -0.454 6.835 3.892 1.00 64.40 N ATOM 0 H LYS A 32 0.660 9.776 -0.131 1.00 22.13 H new ATOM 0 HA LYS A 32 -0.620 7.393 -0.480 1.00 51.30 H new ATOM 0 HB2 LYS A 32 -1.147 9.874 0.700 1.00 51.32 H new ATOM 0 HB3 LYS A 32 -2.459 9.689 -0.447 1.00 51.32 H new ATOM 0 HG2 LYS A 32 -3.496 8.436 1.101 1.00 14.42 H new ATOM 0 HG3 LYS A 32 -2.323 7.179 0.760 1.00 14.42 H new ATOM 0 HD2 LYS A 32 -1.771 9.398 2.760 1.00 25.51 H new ATOM 0 HD3 LYS A 32 -2.585 7.915 3.219 1.00 25.51 H new ATOM 0 HE2 LYS A 32 -0.365 7.004 1.782 1.00 64.33 H new ATOM 0 HE3 LYS A 32 0.264 8.392 2.647 1.00 64.33 H new ATOM 0 HZ1 LYS A 32 0.478 6.377 3.950 1.00 64.40 H new ATOM 0 HZ2 LYS A 32 -0.588 7.453 4.718 1.00 64.40 H new ATOM 0 HZ3 LYS A 32 -1.197 6.108 3.880 1.00 64.40 H new ATOM 511 N HIS A 33 -1.131 9.388 -3.024 1.00 34.44 N ATOM 512 CA HIS A 33 -1.662 9.455 -4.382 1.00 43.12 C ATOM 513 C HIS A 33 -0.882 8.534 -5.316 1.00 44.23 C ATOM 514 O HIS A 33 -1.516 7.958 -6.201 1.00 32.10 O ATOM 515 CB HIS A 33 -1.609 10.892 -4.903 1.00 64.44 C ATOM 516 CG HIS A 33 -2.387 11.861 -4.065 1.00 74.20 C ATOM 517 ND1 HIS A 33 -1.791 12.831 -3.288 1.00 12.12 N ATOM 518 CD2 HIS A 33 -3.721 12.006 -3.887 1.00 73.40 C ATOM 519 CE1 HIS A 33 -2.724 13.531 -2.668 1.00 32.40 C ATOM 520 NE2 HIS A 33 -3.904 13.050 -3.015 1.00 62.24 N ATOM 0 H HIS A 33 -0.555 10.186 -2.757 1.00 34.44 H new ATOM 0 HA HIS A 33 -2.700 9.124 -4.357 1.00 43.12 H new ATOM 0 HB2 HIS A 33 -0.569 11.216 -4.948 1.00 64.44 H new ATOM 0 HB3 HIS A 33 -1.994 10.915 -5.923 1.00 64.44 H new ATOM 0 HD2 HIS A 33 -4.497 11.411 -4.346 1.00 73.40 H new ATOM 0 HE1 HIS A 33 -2.551 14.356 -1.993 1.00 32.40 H new ATOM 0 HE2 HIS A 33 -4.805 13.398 -2.688 1.00 62.24 H new ATOM 528 N ILE A 34 0.428 8.386 -5.150 1.00 41.31 N ATOM 529 CA ILE A 34 1.214 7.517 -6.017 1.00 10.21 C ATOM 530 C ILE A 34 1.059 6.055 -5.615 1.00 72.32 C ATOM 531 O ILE A 34 0.679 5.212 -6.428 1.00 13.42 O ATOM 532 CB ILE A 34 2.707 7.892 -5.986 1.00 60.21 C ATOM 533 CG1 ILE A 34 2.878 9.406 -6.133 1.00 32.01 C ATOM 534 CG2 ILE A 34 3.460 7.159 -7.085 1.00 21.32 C ATOM 535 CD1 ILE A 34 4.317 9.862 -6.038 1.00 54.04 C ATOM 0 H ILE A 34 0.967 8.857 -4.423 1.00 41.31 H new ATOM 0 HA ILE A 34 0.835 7.655 -7.030 1.00 10.21 H new ATOM 0 HB ILE A 34 3.123 7.590 -5.025 1.00 60.21 H new ATOM 0 HG12 ILE A 34 2.469 9.718 -7.094 1.00 32.01 H new ATOM 0 HG13 ILE A 34 2.295 9.906 -5.360 1.00 32.01 H new ATOM 0 HG21 ILE A 34 4.514 7.435 -7.050 1.00 21.32 H new ATOM 0 HG22 ILE A 34 3.361 6.083 -6.939 1.00 21.32 H new ATOM 0 HG23 ILE A 34 3.045 7.433 -8.055 1.00 21.32 H new ATOM 0 HD11 ILE A 34 4.364 10.945 -6.151 1.00 54.04 H new ATOM 0 HD12 ILE A 34 4.725 9.580 -5.067 1.00 54.04 H new ATOM 0 HD13 ILE A 34 4.901 9.390 -6.828 1.00 54.04 H new ATOM 547 N VAL A 35 1.357 5.760 -4.353 1.00 22.45 N ATOM 548 CA VAL A 35 1.248 4.398 -3.841 1.00 50.11 C ATOM 549 C VAL A 35 -0.106 3.788 -4.184 1.00 22.32 C ATOM 550 O VAL A 35 -0.203 2.599 -4.486 1.00 42.11 O ATOM 551 CB VAL A 35 1.446 4.356 -2.314 1.00 55.35 C ATOM 552 CG1 VAL A 35 1.314 2.931 -1.798 1.00 53.42 C ATOM 553 CG2 VAL A 35 2.795 4.947 -1.935 1.00 73.30 C ATOM 0 H VAL A 35 1.675 6.445 -3.667 1.00 22.45 H new ATOM 0 HA VAL A 35 2.036 3.816 -4.319 1.00 50.11 H new ATOM 0 HB VAL A 35 0.668 4.960 -1.847 1.00 55.35 H new ATOM 0 HG11 VAL A 35 1.457 2.921 -0.717 1.00 53.42 H new ATOM 0 HG12 VAL A 35 0.322 2.548 -2.037 1.00 53.42 H new ATOM 0 HG13 VAL A 35 2.069 2.302 -2.270 1.00 53.42 H new ATOM 0 HG21 VAL A 35 2.918 4.909 -0.853 1.00 73.30 H new ATOM 0 HG22 VAL A 35 3.590 4.373 -2.411 1.00 73.30 H new ATOM 0 HG23 VAL A 35 2.845 5.983 -2.270 1.00 73.30 H new ATOM 563 N TRP A 36 -1.148 4.609 -4.136 1.00 43.40 N ATOM 564 CA TRP A 36 -2.498 4.150 -4.442 1.00 45.40 C ATOM 565 C TRP A 36 -2.627 3.786 -5.917 1.00 41.01 C ATOM 566 O TRP A 36 -3.163 2.733 -6.261 1.00 55.02 O ATOM 567 CB TRP A 36 -3.521 5.229 -4.079 1.00 74.14 C ATOM 568 CG TRP A 36 -4.928 4.856 -4.433 1.00 44.23 C ATOM 569 CD1 TRP A 36 -5.755 4.022 -3.735 1.00 1.41 C ATOM 570 CD2 TRP A 36 -5.672 5.302 -5.572 1.00 25.23 C ATOM 571 NE1 TRP A 36 -6.969 3.924 -4.372 1.00 32.12 N ATOM 572 CE2 TRP A 36 -6.944 4.699 -5.501 1.00 51.42 C ATOM 573 CE3 TRP A 36 -5.389 6.153 -6.643 1.00 5.23 C ATOM 574 CZ2 TRP A 36 -7.927 4.922 -6.462 1.00 62.52 C ATOM 575 CZ3 TRP A 36 -6.366 6.372 -7.596 1.00 12.43 C ATOM 576 CH2 TRP A 36 -7.623 5.760 -7.500 1.00 73.40 C ATOM 0 H TRP A 36 -1.084 5.596 -3.888 1.00 43.40 H new ATOM 0 HA TRP A 36 -2.695 3.258 -3.848 1.00 45.40 H new ATOM 0 HB2 TRP A 36 -3.464 5.428 -3.009 1.00 74.14 H new ATOM 0 HB3 TRP A 36 -3.259 6.155 -4.590 1.00 74.14 H new ATOM 0 HD1 TRP A 36 -5.493 3.515 -2.818 1.00 1.41 H new ATOM 0 HE1 TRP A 36 -7.761 3.364 -4.055 1.00 32.12 H new ATOM 0 HE3 TRP A 36 -4.424 6.631 -6.725 1.00 5.23 H new ATOM 0 HZ2 TRP A 36 -8.896 4.450 -6.390 1.00 62.52 H new ATOM 0 HZ3 TRP A 36 -6.157 7.026 -8.429 1.00 12.43 H new ATOM 0 HH2 TRP A 36 -8.366 5.953 -8.260 1.00 73.40 H new ATOM 587 N ALA A 37 -2.134 4.664 -6.784 1.00 2.24 N ATOM 588 CA ALA A 37 -2.192 4.433 -8.222 1.00 64.41 C ATOM 589 C ALA A 37 -1.461 3.150 -8.603 1.00 61.42 C ATOM 590 O ALA A 37 -1.948 2.362 -9.414 1.00 55.34 O ATOM 591 CB ALA A 37 -1.606 5.619 -8.972 1.00 4.23 C ATOM 0 H ALA A 37 -1.690 5.542 -6.515 1.00 2.24 H new ATOM 0 HA ALA A 37 -3.239 4.321 -8.504 1.00 64.41 H new ATOM 0 HB1 ALA A 37 -1.656 5.432 -10.045 1.00 4.23 H new ATOM 0 HB2 ALA A 37 -2.175 6.518 -8.733 1.00 4.23 H new ATOM 0 HB3 ALA A 37 -0.566 5.759 -8.676 1.00 4.23 H new ATOM 597 N SER A 38 -0.288 2.946 -8.011 1.00 51.04 N ATOM 598 CA SER A 38 0.513 1.760 -8.291 1.00 15.42 C ATOM 599 C SER A 38 -0.200 0.498 -7.819 1.00 60.02 C ATOM 600 O SER A 38 -0.002 -0.585 -8.371 1.00 11.11 O ATOM 601 CB SER A 38 1.880 1.871 -7.614 1.00 54.34 C ATOM 602 OG SER A 38 1.950 1.042 -6.466 1.00 11.20 O ATOM 0 H SER A 38 0.128 3.586 -7.335 1.00 51.04 H new ATOM 0 HA SER A 38 0.654 1.694 -9.370 1.00 15.42 H new ATOM 0 HB2 SER A 38 2.662 1.588 -8.319 1.00 54.34 H new ATOM 0 HB3 SER A 38 2.066 2.907 -7.330 1.00 54.34 H new ATOM 0 HG SER A 38 1.374 1.408 -5.763 1.00 11.20 H new ATOM 608 N ARG A 39 -1.032 0.645 -6.793 1.00 20.12 N ATOM 609 CA ARG A 39 -1.776 -0.483 -6.244 1.00 70.20 C ATOM 610 C ARG A 39 -3.001 -0.794 -7.098 1.00 42.24 C ATOM 611 O ARG A 39 -3.507 -1.916 -7.089 1.00 3.33 O ATOM 612 CB ARG A 39 -2.204 -0.187 -4.806 1.00 53.03 C ATOM 613 CG ARG A 39 -1.167 -0.584 -3.767 1.00 3.02 C ATOM 614 CD ARG A 39 -1.560 -1.865 -3.049 1.00 64.05 C ATOM 615 NE ARG A 39 -0.809 -2.050 -1.810 1.00 72.12 N ATOM 616 CZ ARG A 39 -1.007 -3.064 -0.974 1.00 3.04 C ATOM 617 NH1 ARG A 39 -1.928 -3.979 -1.244 1.00 33.11 N ATOM 618 NH2 ARG A 39 -0.284 -3.163 0.133 1.00 74.50 N ATOM 0 H ARG A 39 -1.208 1.534 -6.325 1.00 20.12 H new ATOM 0 HA ARG A 39 -1.122 -1.355 -6.249 1.00 70.20 H new ATOM 0 HB2 ARG A 39 -2.412 0.879 -4.710 1.00 53.03 H new ATOM 0 HB3 ARG A 39 -3.135 -0.714 -4.597 1.00 53.03 H new ATOM 0 HG2 ARG A 39 -0.199 -0.719 -4.250 1.00 3.02 H new ATOM 0 HG3 ARG A 39 -1.051 0.221 -3.041 1.00 3.02 H new ATOM 0 HD2 ARG A 39 -2.627 -1.843 -2.827 1.00 64.05 H new ATOM 0 HD3 ARG A 39 -1.389 -2.717 -3.707 1.00 64.05 H new ATOM 0 HE ARG A 39 -0.093 -1.363 -1.573 1.00 72.12 H new ATOM 0 HH11 ARG A 39 -2.486 -3.905 -2.095 1.00 33.11 H new ATOM 0 HH12 ARG A 39 -2.078 -4.756 -0.601 1.00 33.11 H new ATOM 0 HH21 ARG A 39 0.425 -2.461 0.344 1.00 74.50 H new ATOM 0 HH22 ARG A 39 -0.437 -3.942 0.774 1.00 74.50 H new ATOM 632 N GLU A 40 -3.474 0.209 -7.832 1.00 23.10 N ATOM 633 CA GLU A 40 -4.641 0.042 -8.690 1.00 62.43 C ATOM 634 C GLU A 40 -4.237 -0.488 -10.062 1.00 1.55 C ATOM 635 O GLU A 40 -4.921 -1.334 -10.641 1.00 54.31 O ATOM 636 CB GLU A 40 -5.384 1.371 -8.843 1.00 41.32 C ATOM 637 CG GLU A 40 -6.893 1.218 -8.935 1.00 11.41 C ATOM 638 CD GLU A 40 -7.503 0.671 -7.659 1.00 1.23 C ATOM 639 OE1 GLU A 40 -7.659 1.451 -6.696 1.00 0.33 O ATOM 640 OE2 GLU A 40 -7.826 -0.535 -7.624 1.00 14.41 O ATOM 0 H GLU A 40 -3.067 1.144 -7.849 1.00 23.10 H new ATOM 0 HA GLU A 40 -5.304 -0.685 -8.220 1.00 62.43 H new ATOM 0 HB2 GLU A 40 -5.143 2.012 -7.995 1.00 41.32 H new ATOM 0 HB3 GLU A 40 -5.023 1.878 -9.738 1.00 41.32 H new ATOM 0 HG2 GLU A 40 -7.339 2.186 -9.161 1.00 11.41 H new ATOM 0 HG3 GLU A 40 -7.137 0.554 -9.764 1.00 11.41 H new ATOM 647 N LEU A 41 -3.122 0.017 -10.580 1.00 54.13 N ATOM 648 CA LEU A 41 -2.625 -0.404 -11.885 1.00 63.32 C ATOM 649 C LEU A 41 -2.489 -1.922 -11.953 1.00 63.22 C ATOM 650 O LEU A 41 -2.858 -2.543 -12.948 1.00 2.34 O ATOM 651 CB LEU A 41 -1.275 0.253 -12.175 1.00 41.52 C ATOM 652 CG LEU A 41 -1.327 1.635 -12.828 1.00 2.13 C ATOM 653 CD1 LEU A 41 0.073 2.207 -12.981 1.00 53.24 C ATOM 654 CD2 LEU A 41 -2.024 1.560 -14.179 1.00 41.00 C ATOM 0 H LEU A 41 -2.545 0.719 -10.116 1.00 54.13 H new ATOM 0 HA LEU A 41 -3.346 -0.088 -12.639 1.00 63.32 H new ATOM 0 HB2 LEU A 41 -0.726 0.337 -11.237 1.00 41.52 H new ATOM 0 HB3 LEU A 41 -0.702 -0.411 -12.822 1.00 41.52 H new ATOM 0 HG LEU A 41 -1.900 2.299 -12.181 1.00 2.13 H new ATOM 0 HD11 LEU A 41 0.015 3.190 -13.447 1.00 53.24 H new ATOM 0 HD12 LEU A 41 0.538 2.298 -11.999 1.00 53.24 H new ATOM 0 HD13 LEU A 41 0.671 1.544 -13.606 1.00 53.24 H new ATOM 0 HD21 LEU A 41 -2.052 2.552 -14.629 1.00 41.00 H new ATOM 0 HD22 LEU A 41 -1.478 0.880 -14.833 1.00 41.00 H new ATOM 0 HD23 LEU A 41 -3.042 1.194 -14.044 1.00 41.00 H new ATOM 666 N GLU A 42 -1.960 -2.512 -10.886 1.00 50.11 N ATOM 667 CA GLU A 42 -1.777 -3.957 -10.824 1.00 45.30 C ATOM 668 C GLU A 42 -3.103 -4.682 -11.038 1.00 70.13 C ATOM 669 O GLU A 42 -3.129 -5.836 -11.464 1.00 63.43 O ATOM 670 CB GLU A 42 -1.174 -4.360 -9.477 1.00 22.44 C ATOM 671 CG GLU A 42 0.187 -5.026 -9.595 1.00 31.40 C ATOM 672 CD GLU A 42 0.097 -6.540 -9.602 1.00 12.21 C ATOM 673 OE1 GLU A 42 -0.183 -7.123 -8.534 1.00 40.33 O ATOM 674 OE2 GLU A 42 0.308 -7.141 -10.676 1.00 34.14 O ATOM 0 H GLU A 42 -1.651 -2.012 -10.053 1.00 50.11 H new ATOM 0 HA GLU A 42 -1.092 -4.246 -11.621 1.00 45.30 H new ATOM 0 HB2 GLU A 42 -1.082 -3.473 -8.850 1.00 22.44 H new ATOM 0 HB3 GLU A 42 -1.859 -5.040 -8.970 1.00 22.44 H new ATOM 0 HG2 GLU A 42 0.673 -4.690 -10.511 1.00 31.40 H new ATOM 0 HG3 GLU A 42 0.817 -4.707 -8.764 1.00 31.40 H new ATOM 681 N ARG A 43 -4.201 -3.996 -10.738 1.00 33.00 N ATOM 682 CA ARG A 43 -5.530 -4.574 -10.895 1.00 21.42 C ATOM 683 C ARG A 43 -5.993 -4.487 -12.346 1.00 61.15 C ATOM 684 O ARG A 43 -6.865 -5.242 -12.777 1.00 51.02 O ATOM 685 CB ARG A 43 -6.531 -3.861 -9.984 1.00 10.33 C ATOM 686 CG ARG A 43 -7.441 -4.808 -9.220 1.00 41.11 C ATOM 687 CD ARG A 43 -8.877 -4.723 -9.716 1.00 32.34 C ATOM 688 NE ARG A 43 -9.632 -3.676 -9.034 1.00 73.54 N ATOM 689 CZ ARG A 43 -10.945 -3.517 -9.159 1.00 12.33 C ATOM 690 NH1 ARG A 43 -11.643 -4.331 -9.937 1.00 42.12 N ATOM 691 NH2 ARG A 43 -11.561 -2.540 -8.505 1.00 73.25 N ATOM 0 H ARG A 43 -4.196 -3.039 -10.385 1.00 33.00 H new ATOM 0 HA ARG A 43 -5.477 -5.625 -10.612 1.00 21.42 H new ATOM 0 HB2 ARG A 43 -5.985 -3.242 -9.272 1.00 10.33 H new ATOM 0 HB3 ARG A 43 -7.143 -3.189 -10.586 1.00 10.33 H new ATOM 0 HG2 ARG A 43 -7.078 -5.830 -9.328 1.00 41.11 H new ATOM 0 HG3 ARG A 43 -7.407 -4.568 -8.157 1.00 41.11 H new ATOM 0 HD2 ARG A 43 -8.879 -4.530 -10.789 1.00 32.34 H new ATOM 0 HD3 ARG A 43 -9.370 -5.683 -9.564 1.00 32.34 H new ATOM 0 HE ARG A 43 -9.124 -3.031 -8.429 1.00 73.54 H new ATOM 0 HH11 ARG A 43 -11.172 -5.082 -10.442 1.00 42.12 H new ATOM 0 HH12 ARG A 43 -12.651 -4.207 -10.031 1.00 42.12 H new ATOM 0 HH21 ARG A 43 -11.026 -1.911 -7.906 1.00 73.25 H new ATOM 0 HH22 ARG A 43 -12.569 -2.418 -8.601 1.00 73.25 H new ATOM 705 N PHE A 44 -5.405 -3.559 -13.094 1.00 23.03 N ATOM 706 CA PHE A 44 -5.758 -3.371 -14.497 1.00 72.22 C ATOM 707 C PHE A 44 -4.799 -4.134 -15.406 1.00 64.13 C ATOM 708 O PHE A 44 -4.652 -3.809 -16.584 1.00 52.12 O ATOM 709 CB PHE A 44 -5.741 -1.884 -14.854 1.00 45.13 C ATOM 710 CG PHE A 44 -6.899 -1.117 -14.280 1.00 52.42 C ATOM 711 CD1 PHE A 44 -8.197 -1.395 -14.677 1.00 33.02 C ATOM 712 CD2 PHE A 44 -6.689 -0.118 -13.342 1.00 21.13 C ATOM 713 CE1 PHE A 44 -9.264 -0.692 -14.151 1.00 22.02 C ATOM 714 CE2 PHE A 44 -7.752 0.588 -12.813 1.00 40.32 C ATOM 715 CZ PHE A 44 -9.042 0.302 -13.218 1.00 34.44 C ATOM 0 H PHE A 44 -4.682 -2.926 -12.752 1.00 23.03 H new ATOM 0 HA PHE A 44 -6.764 -3.763 -14.648 1.00 72.22 H new ATOM 0 HB2 PHE A 44 -4.810 -1.443 -14.497 1.00 45.13 H new ATOM 0 HB3 PHE A 44 -5.748 -1.779 -15.939 1.00 45.13 H new ATOM 0 HD1 PHE A 44 -8.377 -2.171 -15.407 1.00 33.02 H new ATOM 0 HD2 PHE A 44 -5.683 0.111 -13.021 1.00 21.13 H new ATOM 0 HE1 PHE A 44 -10.271 -0.920 -14.469 1.00 22.02 H new ATOM 0 HE2 PHE A 44 -7.575 1.364 -12.083 1.00 40.32 H new ATOM 0 HZ PHE A 44 -9.874 0.854 -12.806 1.00 34.44 H new ATOM 725 N ALA A 45 -4.149 -5.152 -14.850 1.00 11.02 N ATOM 726 CA ALA A 45 -3.206 -5.963 -15.610 1.00 55.44 C ATOM 727 C ALA A 45 -2.007 -5.133 -16.059 1.00 2.02 C ATOM 728 O ALA A 45 -1.270 -5.529 -16.963 1.00 45.54 O ATOM 729 CB ALA A 45 -3.897 -6.589 -16.812 1.00 3.03 C ATOM 0 H ALA A 45 -4.259 -5.434 -13.876 1.00 11.02 H new ATOM 0 HA ALA A 45 -2.842 -6.758 -14.960 1.00 55.44 H new ATOM 0 HB1 ALA A 45 -3.181 -7.192 -17.370 1.00 3.03 H new ATOM 0 HB2 ALA A 45 -4.717 -7.222 -16.472 1.00 3.03 H new ATOM 0 HB3 ALA A 45 -4.289 -5.802 -17.456 1.00 3.03 H new ATOM 735 N VAL A 46 -1.819 -3.981 -15.424 1.00 41.03 N ATOM 736 CA VAL A 46 -0.709 -3.097 -15.758 1.00 44.41 C ATOM 737 C VAL A 46 0.280 -2.994 -14.602 1.00 44.42 C ATOM 738 O VAL A 46 -0.048 -2.473 -13.537 1.00 63.44 O ATOM 739 CB VAL A 46 -1.207 -1.685 -16.121 1.00 60.14 C ATOM 740 CG1 VAL A 46 -0.032 -0.745 -16.342 1.00 51.21 C ATOM 741 CG2 VAL A 46 -2.099 -1.734 -17.351 1.00 24.31 C ATOM 0 H VAL A 46 -2.421 -3.638 -14.675 1.00 41.03 H new ATOM 0 HA VAL A 46 -0.207 -3.531 -16.623 1.00 44.41 H new ATOM 0 HB VAL A 46 -1.797 -1.302 -15.288 1.00 60.14 H new ATOM 0 HG11 VAL A 46 -0.403 0.248 -16.597 1.00 51.21 H new ATOM 0 HG12 VAL A 46 0.563 -0.686 -15.431 1.00 51.21 H new ATOM 0 HG13 VAL A 46 0.587 -1.122 -17.156 1.00 51.21 H new ATOM 0 HG21 VAL A 46 -2.441 -0.728 -17.592 1.00 24.31 H new ATOM 0 HG22 VAL A 46 -1.536 -2.138 -18.193 1.00 24.31 H new ATOM 0 HG23 VAL A 46 -2.960 -2.372 -17.151 1.00 24.31 H new ATOM 751 N ASN A 47 1.492 -3.493 -14.821 1.00 44.13 N ATOM 752 CA ASN A 47 2.529 -3.457 -13.796 1.00 33.11 C ATOM 753 C ASN A 47 2.812 -2.023 -13.358 1.00 70.11 C ATOM 754 O ASN A 47 2.859 -1.098 -14.168 1.00 14.23 O ATOM 755 CB ASN A 47 3.813 -4.105 -14.318 1.00 72.11 C ATOM 756 CG ASN A 47 3.833 -5.606 -14.100 1.00 55.14 C ATOM 757 OD1 ASN A 47 2.787 -6.235 -13.936 1.00 73.03 O ATOM 758 ND2 ASN A 47 5.028 -6.187 -14.095 1.00 24.11 N ATOM 0 H ASN A 47 1.780 -3.927 -15.698 1.00 44.13 H new ATOM 0 HA ASN A 47 2.171 -4.018 -12.933 1.00 33.11 H new ATOM 0 HB2 ASN A 47 3.917 -3.894 -15.382 1.00 72.11 H new ATOM 0 HB3 ASN A 47 4.672 -3.657 -13.819 1.00 72.11 H new ATOM 0 HD21 ASN A 47 5.105 -7.194 -13.951 1.00 24.11 H new ATOM 0 HD22 ASN A 47 5.868 -5.626 -14.235 1.00 24.11 H new ATOM 765 N PRO A 48 3.005 -1.833 -12.045 1.00 73.34 N ATOM 766 CA PRO A 48 3.288 -0.515 -11.469 1.00 40.14 C ATOM 767 C PRO A 48 4.673 -0.003 -11.846 1.00 15.14 C ATOM 768 O PRO A 48 5.025 1.138 -11.550 1.00 10.35 O ATOM 769 CB PRO A 48 3.202 -0.761 -9.960 1.00 23.21 C ATOM 770 CG PRO A 48 3.507 -2.210 -9.795 1.00 73.51 C ATOM 771 CD PRO A 48 2.964 -2.890 -11.020 1.00 25.53 C ATOM 0 HA PRO A 48 2.596 0.245 -11.831 1.00 40.14 H new ATOM 0 HB2 PRO A 48 3.916 -0.142 -9.417 1.00 23.21 H new ATOM 0 HB3 PRO A 48 2.212 -0.518 -9.575 1.00 23.21 H new ATOM 0 HG2 PRO A 48 4.580 -2.374 -9.701 1.00 73.51 H new ATOM 0 HG3 PRO A 48 3.044 -2.606 -8.891 1.00 73.51 H new ATOM 0 HD2 PRO A 48 3.571 -3.749 -11.305 1.00 25.53 H new ATOM 0 HD3 PRO A 48 1.950 -3.255 -10.860 1.00 25.53 H new ATOM 779 N GLY A 49 5.456 -0.855 -12.501 1.00 0.44 N ATOM 780 CA GLY A 49 6.794 -0.468 -12.910 1.00 72.33 C ATOM 781 C GLY A 49 6.788 0.597 -13.988 1.00 24.51 C ATOM 782 O GLY A 49 7.822 1.196 -14.285 1.00 3.04 O ATOM 0 H GLY A 49 5.188 -1.806 -12.756 1.00 0.44 H new ATOM 0 HA2 GLY A 49 7.343 -0.099 -12.043 1.00 72.33 H new ATOM 0 HA3 GLY A 49 7.327 -1.346 -13.275 1.00 72.33 H new ATOM 786 N LEU A 50 5.621 0.831 -14.578 1.00 3.22 N ATOM 787 CA LEU A 50 5.483 1.830 -15.632 1.00 72.51 C ATOM 788 C LEU A 50 5.464 3.239 -15.048 1.00 30.03 C ATOM 789 O LEU A 50 5.432 4.227 -15.783 1.00 21.00 O ATOM 790 CB LEU A 50 4.205 1.580 -16.435 1.00 43.40 C ATOM 791 CG LEU A 50 4.048 0.181 -17.030 1.00 33.01 C ATOM 792 CD1 LEU A 50 2.715 0.053 -17.750 1.00 13.24 C ATOM 793 CD2 LEU A 50 5.200 -0.128 -17.976 1.00 24.14 C ATOM 0 H LEU A 50 4.757 0.343 -14.344 1.00 3.22 H new ATOM 0 HA LEU A 50 6.344 1.744 -16.295 1.00 72.51 H new ATOM 0 HB2 LEU A 50 3.350 1.776 -15.788 1.00 43.40 H new ATOM 0 HB3 LEU A 50 4.163 2.305 -17.248 1.00 43.40 H new ATOM 0 HG LEU A 50 4.068 -0.544 -16.216 1.00 33.01 H new ATOM 0 HD11 LEU A 50 2.621 -0.950 -18.167 1.00 13.24 H new ATOM 0 HD12 LEU A 50 1.902 0.230 -17.045 1.00 13.24 H new ATOM 0 HD13 LEU A 50 2.664 0.787 -18.555 1.00 13.24 H new ATOM 0 HD21 LEU A 50 5.072 -1.128 -18.391 1.00 24.14 H new ATOM 0 HD22 LEU A 50 5.212 0.602 -18.786 1.00 24.14 H new ATOM 0 HD23 LEU A 50 6.142 -0.079 -17.430 1.00 24.14 H new ATOM 805 N LEU A 51 5.487 3.325 -13.723 1.00 64.33 N ATOM 806 CA LEU A 51 5.474 4.613 -13.039 1.00 1.41 C ATOM 807 C LEU A 51 6.891 5.141 -12.847 1.00 13.31 C ATOM 808 O LEU A 51 7.091 6.325 -12.577 1.00 74.21 O ATOM 809 CB LEU A 51 4.776 4.487 -11.684 1.00 31.11 C ATOM 810 CG LEU A 51 3.299 4.094 -11.723 1.00 72.32 C ATOM 811 CD1 LEU A 51 2.763 3.891 -10.314 1.00 31.22 C ATOM 812 CD2 LEU A 51 2.486 5.149 -12.458 1.00 64.11 C ATOM 0 H LEU A 51 5.515 2.518 -13.100 1.00 64.33 H new ATOM 0 HA LEU A 51 4.923 5.320 -13.659 1.00 1.41 H new ATOM 0 HB2 LEU A 51 5.312 3.748 -11.089 1.00 31.11 H new ATOM 0 HB3 LEU A 51 4.864 5.440 -11.163 1.00 31.11 H new ATOM 0 HG LEU A 51 3.208 3.152 -12.263 1.00 72.32 H new ATOM 0 HD11 LEU A 51 1.710 3.612 -10.362 1.00 31.22 H new ATOM 0 HD12 LEU A 51 3.326 3.099 -9.821 1.00 31.22 H new ATOM 0 HD13 LEU A 51 2.867 4.817 -9.748 1.00 31.22 H new ATOM 0 HD21 LEU A 51 1.437 4.853 -12.476 1.00 64.11 H new ATOM 0 HD22 LEU A 51 2.584 6.106 -11.946 1.00 64.11 H new ATOM 0 HD23 LEU A 51 2.854 5.245 -13.480 1.00 64.11 H new ATOM 824 N GLU A 52 7.872 4.255 -12.991 1.00 13.35 N ATOM 825 CA GLU A 52 9.272 4.634 -12.835 1.00 4.22 C ATOM 826 C GLU A 52 9.913 4.919 -14.190 1.00 42.01 C ATOM 827 O GLU A 52 11.101 4.668 -14.394 1.00 52.02 O ATOM 828 CB GLU A 52 10.045 3.527 -12.115 1.00 51.50 C ATOM 829 CG GLU A 52 10.114 2.226 -12.896 1.00 62.42 C ATOM 830 CD GLU A 52 11.405 1.469 -12.656 1.00 14.14 C ATOM 831 OE1 GLU A 52 12.225 1.936 -11.838 1.00 3.40 O ATOM 832 OE2 GLU A 52 11.598 0.409 -13.289 1.00 53.11 O ATOM 0 H GLU A 52 7.723 3.271 -13.215 1.00 13.35 H new ATOM 0 HA GLU A 52 9.311 5.544 -12.236 1.00 4.22 H new ATOM 0 HB2 GLU A 52 11.058 3.875 -11.914 1.00 51.50 H new ATOM 0 HB3 GLU A 52 9.576 3.337 -11.150 1.00 51.50 H new ATOM 0 HG2 GLU A 52 9.270 1.595 -12.618 1.00 62.42 H new ATOM 0 HG3 GLU A 52 10.015 2.440 -13.960 1.00 62.42 H new ATOM 839 N THR A 53 9.117 5.445 -15.116 1.00 13.32 N ATOM 840 CA THR A 53 9.604 5.763 -16.453 1.00 75.43 C ATOM 841 C THR A 53 8.612 6.640 -17.206 1.00 52.21 C ATOM 842 O THR A 53 7.520 6.197 -17.559 1.00 32.22 O ATOM 843 CB THR A 53 9.869 4.485 -17.272 1.00 2.21 C ATOM 844 OG1 THR A 53 9.817 4.783 -18.672 1.00 14.40 O ATOM 845 CG2 THR A 53 8.847 3.409 -16.940 1.00 21.33 C ATOM 0 H THR A 53 8.131 5.660 -14.964 1.00 13.32 H new ATOM 0 HA THR A 53 10.541 6.306 -16.328 1.00 75.43 H new ATOM 0 HB THR A 53 10.861 4.113 -17.016 1.00 2.21 H new ATOM 0 HG1 THR A 53 9.988 3.967 -19.187 1.00 14.40 H new ATOM 0 HG21 THR A 53 9.054 2.516 -17.530 1.00 21.33 H new ATOM 0 HG22 THR A 53 8.907 3.165 -15.879 1.00 21.33 H new ATOM 0 HG23 THR A 53 7.846 3.774 -17.172 1.00 21.33 H new ATOM 853 N SER A 54 8.999 7.888 -17.449 1.00 51.55 N ATOM 854 CA SER A 54 8.142 8.831 -18.158 1.00 45.14 C ATOM 855 C SER A 54 7.595 8.209 -19.440 1.00 30.11 C ATOM 856 O SER A 54 6.468 8.488 -19.846 1.00 42.52 O ATOM 857 CB SER A 54 8.914 10.109 -18.488 1.00 52.33 C ATOM 858 OG SER A 54 9.346 10.111 -19.837 1.00 43.03 O ATOM 0 H SER A 54 9.901 8.270 -17.165 1.00 51.55 H new ATOM 0 HA SER A 54 7.304 9.080 -17.508 1.00 45.14 H new ATOM 0 HB2 SER A 54 8.281 10.977 -18.305 1.00 52.33 H new ATOM 0 HB3 SER A 54 9.776 10.198 -17.827 1.00 52.33 H new ATOM 0 HG SER A 54 9.835 10.940 -20.023 1.00 43.03 H new ATOM 864 N GLU A 55 8.404 7.365 -20.072 1.00 31.30 N ATOM 865 CA GLU A 55 8.002 6.703 -21.308 1.00 4.42 C ATOM 866 C GLU A 55 6.981 5.604 -21.030 1.00 44.42 C ATOM 867 O GLU A 55 6.049 5.397 -21.806 1.00 21.22 O ATOM 868 CB GLU A 55 9.223 6.113 -22.016 1.00 3.15 C ATOM 869 CG GLU A 55 9.170 6.241 -23.530 1.00 4.51 C ATOM 870 CD GLU A 55 10.179 5.350 -24.227 1.00 43.42 C ATOM 871 OE1 GLU A 55 11.390 5.641 -24.134 1.00 53.42 O ATOM 872 OE2 GLU A 55 9.759 4.363 -24.865 1.00 3.15 O ATOM 0 H GLU A 55 9.341 7.123 -19.749 1.00 31.30 H new ATOM 0 HA GLU A 55 7.540 7.448 -21.956 1.00 4.42 H new ATOM 0 HB2 GLU A 55 10.121 6.610 -21.649 1.00 3.15 H new ATOM 0 HB3 GLU A 55 9.312 5.059 -21.752 1.00 3.15 H new ATOM 0 HG2 GLU A 55 8.168 5.989 -23.877 1.00 4.51 H new ATOM 0 HG3 GLU A 55 9.353 7.279 -23.810 1.00 4.51 H new ATOM 879 N GLY A 56 7.163 4.902 -19.916 1.00 54.50 N ATOM 880 CA GLY A 56 6.252 3.833 -19.555 1.00 44.04 C ATOM 881 C GLY A 56 4.946 4.351 -18.984 1.00 31.10 C ATOM 882 O GLY A 56 3.915 3.683 -19.066 1.00 74.40 O ATOM 0 H GLY A 56 7.926 5.055 -19.257 1.00 54.50 H new ATOM 0 HA2 GLY A 56 6.044 3.225 -20.435 1.00 44.04 H new ATOM 0 HA3 GLY A 56 6.732 3.182 -18.824 1.00 44.04 H new ATOM 886 N CYS A 57 4.990 5.545 -18.403 1.00 41.24 N ATOM 887 CA CYS A 57 3.803 6.152 -17.813 1.00 62.23 C ATOM 888 C CYS A 57 2.765 6.471 -18.885 1.00 30.31 C ATOM 889 O CYS A 57 1.563 6.466 -18.620 1.00 21.34 O ATOM 890 CB CYS A 57 4.178 7.427 -17.055 1.00 24.43 C ATOM 891 SG CYS A 57 3.897 7.335 -15.272 1.00 75.15 S ATOM 0 H CYS A 57 5.835 6.111 -18.328 1.00 41.24 H new ATOM 0 HA CYS A 57 3.370 5.437 -17.114 1.00 62.23 H new ATOM 0 HB2 CYS A 57 5.230 7.648 -17.235 1.00 24.43 H new ATOM 0 HB3 CYS A 57 3.603 8.260 -17.460 1.00 24.43 H new ATOM 0 HG CYS A 57 4.246 8.459 -14.719 1.00 75.15 H new ATOM 897 N ARG A 58 3.239 6.748 -20.095 1.00 3.22 N ATOM 898 CA ARG A 58 2.352 7.071 -21.207 1.00 13.32 C ATOM 899 C ARG A 58 1.443 5.892 -21.538 1.00 10.15 C ATOM 900 O ARG A 58 0.269 6.074 -21.861 1.00 61.34 O ATOM 901 CB ARG A 58 3.169 7.462 -22.440 1.00 2.43 C ATOM 902 CG ARG A 58 2.835 8.843 -22.980 1.00 45.13 C ATOM 903 CD ARG A 58 2.766 8.847 -24.498 1.00 14.45 C ATOM 904 NE ARG A 58 1.438 8.489 -24.988 1.00 41.22 N ATOM 905 CZ ARG A 58 1.192 8.107 -26.236 1.00 33.32 C ATOM 906 NH1 ARG A 58 2.180 8.033 -27.116 1.00 13.51 N ATOM 907 NH2 ARG A 58 -0.044 7.797 -26.605 1.00 10.22 N ATOM 0 H ARG A 58 4.231 6.755 -20.331 1.00 3.22 H new ATOM 0 HA ARG A 58 1.729 7.914 -20.910 1.00 13.32 H new ATOM 0 HB2 ARG A 58 4.229 7.426 -22.189 1.00 2.43 H new ATOM 0 HB3 ARG A 58 3.002 6.724 -23.225 1.00 2.43 H new ATOM 0 HG2 ARG A 58 1.880 9.173 -22.571 1.00 45.13 H new ATOM 0 HG3 ARG A 58 3.589 9.557 -22.647 1.00 45.13 H new ATOM 0 HD2 ARG A 58 3.035 9.836 -24.870 1.00 14.45 H new ATOM 0 HD3 ARG A 58 3.500 8.146 -24.896 1.00 14.45 H new ATOM 0 HE ARG A 58 0.655 8.535 -24.335 1.00 41.22 H new ATOM 0 HH11 ARG A 58 3.132 8.270 -26.835 1.00 13.51 H new ATOM 0 HH12 ARG A 58 1.989 7.739 -28.074 1.00 13.51 H new ATOM 0 HH21 ARG A 58 -0.807 7.852 -25.930 1.00 10.22 H new ATOM 0 HH22 ARG A 58 -0.232 7.504 -27.564 1.00 10.22 H new ATOM 921 N GLN A 59 1.994 4.685 -21.456 1.00 0.41 N ATOM 922 CA GLN A 59 1.232 3.477 -21.749 1.00 31.42 C ATOM 923 C GLN A 59 -0.018 3.397 -20.879 1.00 74.33 C ATOM 924 O GLN A 59 -1.028 2.817 -21.278 1.00 72.03 O ATOM 925 CB GLN A 59 2.100 2.237 -21.531 1.00 65.41 C ATOM 926 CG GLN A 59 1.899 1.160 -22.585 1.00 13.44 C ATOM 927 CD GLN A 59 2.094 -0.239 -22.036 1.00 14.15 C ATOM 928 OE1 GLN A 59 1.229 -0.771 -21.339 1.00 2.15 O ATOM 929 NE2 GLN A 59 3.234 -0.845 -22.349 1.00 54.02 N ATOM 0 H GLN A 59 2.964 4.518 -21.189 1.00 0.41 H new ATOM 0 HA GLN A 59 0.923 3.517 -22.793 1.00 31.42 H new ATOM 0 HB2 GLN A 59 3.149 2.535 -21.523 1.00 65.41 H new ATOM 0 HB3 GLN A 59 1.880 1.818 -20.549 1.00 65.41 H new ATOM 0 HG2 GLN A 59 0.895 1.246 -23.000 1.00 13.44 H new ATOM 0 HG3 GLN A 59 2.598 1.325 -23.405 1.00 13.44 H new ATOM 0 HE21 GLN A 59 3.923 -0.367 -22.929 1.00 54.02 H new ATOM 0 HE22 GLN A 59 3.420 -1.788 -22.009 1.00 54.02 H new ATOM 938 N ILE A 60 0.058 3.982 -19.688 1.00 12.22 N ATOM 939 CA ILE A 60 -1.067 3.979 -18.762 1.00 22.53 C ATOM 940 C ILE A 60 -2.177 4.910 -19.240 1.00 73.43 C ATOM 941 O ILE A 60 -3.284 4.467 -19.548 1.00 2.13 O ATOM 942 CB ILE A 60 -0.633 4.400 -17.346 1.00 44.34 C ATOM 943 CG1 ILE A 60 0.618 3.629 -16.922 1.00 54.25 C ATOM 944 CG2 ILE A 60 -1.764 4.171 -16.355 1.00 54.51 C ATOM 945 CD1 ILE A 60 1.206 4.104 -15.611 1.00 51.45 C ATOM 0 H ILE A 60 0.888 4.464 -19.342 1.00 12.22 H new ATOM 0 HA ILE A 60 -1.444 2.957 -18.728 1.00 22.53 H new ATOM 0 HB ILE A 60 -0.395 5.464 -17.356 1.00 44.34 H new ATOM 0 HG12 ILE A 60 0.371 2.571 -16.838 1.00 54.25 H new ATOM 0 HG13 ILE A 60 1.373 3.719 -17.703 1.00 54.25 H new ATOM 0 HG21 ILE A 60 -1.442 4.473 -15.359 1.00 54.51 H new ATOM 0 HG22 ILE A 60 -2.632 4.761 -16.650 1.00 54.51 H new ATOM 0 HG23 ILE A 60 -2.030 3.114 -16.345 1.00 54.51 H new ATOM 0 HD11 ILE A 60 2.090 3.512 -15.373 1.00 51.45 H new ATOM 0 HD12 ILE A 60 1.484 5.154 -15.696 1.00 51.45 H new ATOM 0 HD13 ILE A 60 0.468 3.988 -14.818 1.00 51.45 H new ATOM 957 N LEU A 61 -1.871 6.201 -19.301 1.00 20.45 N ATOM 958 CA LEU A 61 -2.842 7.195 -19.745 1.00 12.31 C ATOM 959 C LEU A 61 -3.349 6.876 -21.147 1.00 73.51 C ATOM 960 O LEU A 61 -4.522 7.081 -21.456 1.00 12.32 O ATOM 961 CB LEU A 61 -2.216 8.591 -19.722 1.00 44.50 C ATOM 962 CG LEU A 61 -1.624 9.041 -18.386 1.00 34.50 C ATOM 963 CD1 LEU A 61 -0.477 10.014 -18.611 1.00 22.34 C ATOM 964 CD2 LEU A 61 -2.697 9.672 -17.512 1.00 24.21 C ATOM 0 H LEU A 61 -0.960 6.584 -19.049 1.00 20.45 H new ATOM 0 HA LEU A 61 -3.689 7.170 -19.060 1.00 12.31 H new ATOM 0 HB2 LEU A 61 -1.429 8.626 -20.475 1.00 44.50 H new ATOM 0 HB3 LEU A 61 -2.976 9.313 -20.021 1.00 44.50 H new ATOM 0 HG LEU A 61 -1.234 8.164 -17.870 1.00 34.50 H new ATOM 0 HD11 LEU A 61 -0.068 10.323 -17.649 1.00 22.34 H new ATOM 0 HD12 LEU A 61 0.303 9.528 -19.197 1.00 22.34 H new ATOM 0 HD13 LEU A 61 -0.842 10.889 -19.148 1.00 22.34 H new ATOM 0 HD21 LEU A 61 -2.257 9.986 -16.565 1.00 24.21 H new ATOM 0 HD22 LEU A 61 -3.118 10.539 -18.022 1.00 24.21 H new ATOM 0 HD23 LEU A 61 -3.486 8.944 -17.322 1.00 24.21 H new ATOM 976 N GLY A 62 -2.455 6.368 -21.992 1.00 5.43 N ATOM 977 CA GLY A 62 -2.832 6.025 -23.351 1.00 1.11 C ATOM 978 C GLY A 62 -3.893 4.942 -23.403 1.00 14.33 C ATOM 979 O GLY A 62 -4.554 4.764 -24.425 1.00 25.42 O ATOM 0 H GLY A 62 -1.478 6.188 -21.759 1.00 5.43 H new ATOM 0 HA2 GLY A 62 -3.202 6.916 -23.858 1.00 1.11 H new ATOM 0 HA3 GLY A 62 -1.949 5.691 -23.896 1.00 1.11 H new ATOM 983 N GLN A 63 -4.051 4.218 -22.300 1.00 0.43 N ATOM 984 CA GLN A 63 -5.036 3.146 -22.226 1.00 3.14 C ATOM 985 C GLN A 63 -6.366 3.664 -21.686 1.00 53.30 C ATOM 986 O GLN A 63 -7.430 3.351 -22.222 1.00 42.52 O ATOM 987 CB GLN A 63 -4.521 2.010 -21.341 1.00 11.24 C ATOM 988 CG GLN A 63 -3.768 0.936 -22.108 1.00 31.31 C ATOM 989 CD GLN A 63 -3.118 -0.086 -21.196 1.00 44.12 C ATOM 990 OE1 GLN A 63 -2.298 0.257 -20.344 1.00 10.02 O ATOM 991 NE2 GLN A 63 -3.484 -1.352 -21.368 1.00 2.42 N ATOM 0 H GLN A 63 -3.510 4.354 -21.446 1.00 0.43 H new ATOM 0 HA GLN A 63 -5.197 2.766 -23.235 1.00 3.14 H new ATOM 0 HB2 GLN A 63 -3.866 2.425 -20.576 1.00 11.24 H new ATOM 0 HB3 GLN A 63 -5.364 1.552 -20.824 1.00 11.24 H new ATOM 0 HG2 GLN A 63 -4.456 0.428 -22.784 1.00 31.31 H new ATOM 0 HG3 GLN A 63 -3.002 1.405 -22.725 1.00 31.31 H new ATOM 0 HE21 GLN A 63 -4.167 -1.592 -22.086 1.00 2.42 H new ATOM 0 HE22 GLN A 63 -3.082 -2.083 -20.782 1.00 2.42 H new ATOM 1000 N LEU A 64 -6.297 4.457 -20.623 1.00 3.31 N ATOM 1001 CA LEU A 64 -7.496 5.019 -20.009 1.00 34.32 C ATOM 1002 C LEU A 64 -8.095 6.114 -20.887 1.00 73.44 C ATOM 1003 O LEU A 64 -9.312 6.290 -20.929 1.00 55.23 O ATOM 1004 CB LEU A 64 -7.167 5.582 -18.624 1.00 31.23 C ATOM 1005 CG LEU A 64 -6.552 4.598 -17.629 1.00 72.15 C ATOM 1006 CD1 LEU A 64 -6.214 5.301 -16.324 1.00 64.03 C ATOM 1007 CD2 LEU A 64 -7.496 3.431 -17.380 1.00 75.32 C ATOM 0 H LEU A 64 -5.425 4.726 -20.168 1.00 3.31 H new ATOM 0 HA LEU A 64 -8.230 4.220 -19.905 1.00 34.32 H new ATOM 0 HB2 LEU A 64 -6.480 6.419 -18.748 1.00 31.23 H new ATOM 0 HB3 LEU A 64 -8.083 5.982 -18.190 1.00 31.23 H new ATOM 0 HG LEU A 64 -5.629 4.207 -18.057 1.00 72.15 H new ATOM 0 HD11 LEU A 64 -5.777 4.585 -15.628 1.00 64.03 H new ATOM 0 HD12 LEU A 64 -5.500 6.102 -16.516 1.00 64.03 H new ATOM 0 HD13 LEU A 64 -7.122 5.721 -15.891 1.00 64.03 H new ATOM 0 HD21 LEU A 64 -7.042 2.741 -16.669 1.00 75.32 H new ATOM 0 HD22 LEU A 64 -8.436 3.804 -16.973 1.00 75.32 H new ATOM 0 HD23 LEU A 64 -7.688 2.911 -18.319 1.00 75.32 H new ATOM 1019 N GLN A 65 -7.231 6.843 -21.585 1.00 22.00 N ATOM 1020 CA GLN A 65 -7.676 7.919 -22.463 1.00 12.20 C ATOM 1021 C GLN A 65 -8.883 7.485 -23.288 1.00 65.23 C ATOM 1022 O GLN A 65 -9.966 8.066 -23.204 1.00 74.12 O ATOM 1023 CB GLN A 65 -6.539 8.353 -23.390 1.00 3.33 C ATOM 1024 CG GLN A 65 -5.940 9.702 -23.028 1.00 70.52 C ATOM 1025 CD GLN A 65 -4.885 10.157 -24.017 1.00 75.11 C ATOM 1026 OE1 GLN A 65 -4.281 9.343 -24.716 1.00 71.14 O ATOM 1027 NE2 GLN A 65 -4.658 11.464 -24.081 1.00 22.53 N ATOM 0 H GLN A 65 -6.220 6.709 -21.560 1.00 22.00 H new ATOM 0 HA GLN A 65 -7.970 8.764 -21.840 1.00 12.20 H new ATOM 0 HB2 GLN A 65 -5.753 7.598 -23.366 1.00 3.33 H new ATOM 0 HB3 GLN A 65 -6.911 8.393 -24.414 1.00 3.33 H new ATOM 0 HG2 GLN A 65 -6.734 10.447 -22.982 1.00 70.52 H new ATOM 0 HG3 GLN A 65 -5.499 9.644 -22.033 1.00 70.52 H new ATOM 0 HE21 GLN A 65 -5.182 12.103 -23.483 1.00 22.53 H new ATOM 0 HE22 GLN A 65 -3.960 11.829 -24.728 1.00 22.53 H new ATOM 1036 N PRO A 66 -8.695 6.439 -24.106 1.00 24.13 N ATOM 1037 CA PRO A 66 -9.758 5.902 -24.963 1.00 44.50 C ATOM 1038 C PRO A 66 -10.852 5.206 -24.161 1.00 23.31 C ATOM 1039 O PRO A 66 -11.897 4.844 -24.703 1.00 13.02 O ATOM 1040 CB PRO A 66 -9.023 4.898 -25.853 1.00 63.20 C ATOM 1041 CG PRO A 66 -7.831 4.489 -25.058 1.00 21.51 C ATOM 1042 CD PRO A 66 -7.432 5.698 -24.258 1.00 72.22 C ATOM 0 HA PRO A 66 -10.271 6.687 -25.519 1.00 44.50 H new ATOM 0 HB2 PRO A 66 -9.655 4.041 -26.089 1.00 63.20 H new ATOM 0 HB3 PRO A 66 -8.731 5.349 -26.801 1.00 63.20 H new ATOM 0 HG2 PRO A 66 -8.067 3.649 -24.404 1.00 21.51 H new ATOM 0 HG3 PRO A 66 -7.019 4.167 -25.710 1.00 21.51 H new ATOM 0 HD2 PRO A 66 -7.011 5.419 -23.292 1.00 72.22 H new ATOM 0 HD3 PRO A 66 -6.678 6.291 -24.775 1.00 72.22 H new ATOM 1050 N SER A 67 -10.605 5.019 -22.868 1.00 12.03 N ATOM 1051 CA SER A 67 -11.568 4.362 -21.994 1.00 73.52 C ATOM 1052 C SER A 67 -12.360 5.387 -21.189 1.00 50.03 C ATOM 1053 O SER A 67 -13.329 5.048 -20.509 1.00 74.44 O ATOM 1054 CB SER A 67 -10.853 3.396 -21.047 1.00 72.30 C ATOM 1055 OG SER A 67 -11.574 2.183 -20.914 1.00 72.24 O ATOM 0 H SER A 67 -9.746 5.313 -22.403 1.00 12.03 H new ATOM 0 HA SER A 67 -12.263 3.801 -22.618 1.00 73.52 H new ATOM 0 HB2 SER A 67 -9.851 3.188 -21.423 1.00 72.30 H new ATOM 0 HB3 SER A 67 -10.735 3.862 -20.069 1.00 72.30 H new ATOM 0 HG SER A 67 -11.095 1.583 -20.305 1.00 72.24 H new ATOM 1061 N LEU A 68 -11.940 6.645 -21.270 1.00 50.44 N ATOM 1062 CA LEU A 68 -12.609 7.723 -20.550 1.00 72.44 C ATOM 1063 C LEU A 68 -14.085 7.794 -20.925 1.00 50.42 C ATOM 1064 O LEU A 68 -14.908 8.289 -20.154 1.00 15.40 O ATOM 1065 CB LEU A 68 -11.929 9.061 -20.848 1.00 32.45 C ATOM 1066 CG LEU A 68 -10.632 9.339 -20.088 1.00 33.02 C ATOM 1067 CD1 LEU A 68 -9.806 10.392 -20.810 1.00 11.11 C ATOM 1068 CD2 LEU A 68 -10.934 9.780 -18.664 1.00 55.05 C ATOM 0 H LEU A 68 -11.139 6.943 -21.827 1.00 50.44 H new ATOM 0 HA LEU A 68 -12.535 7.515 -19.483 1.00 72.44 H new ATOM 0 HB2 LEU A 68 -11.718 9.108 -21.916 1.00 32.45 H new ATOM 0 HB3 LEU A 68 -12.635 9.862 -20.627 1.00 32.45 H new ATOM 0 HG LEU A 68 -10.052 8.417 -20.047 1.00 33.02 H new ATOM 0 HD11 LEU A 68 -8.887 10.577 -20.255 1.00 11.11 H new ATOM 0 HD12 LEU A 68 -9.560 10.038 -21.811 1.00 11.11 H new ATOM 0 HD13 LEU A 68 -10.378 11.317 -20.882 1.00 11.11 H new ATOM 0 HD21 LEU A 68 -10.000 9.974 -18.137 1.00 55.05 H new ATOM 0 HD22 LEU A 68 -11.534 10.690 -18.684 1.00 55.05 H new ATOM 0 HD23 LEU A 68 -11.485 8.993 -18.149 1.00 55.05 H new ATOM 1080 N GLN A 69 -14.414 7.296 -22.112 1.00 12.11 N ATOM 1081 CA GLN A 69 -15.792 7.303 -22.588 1.00 1.21 C ATOM 1082 C GLN A 69 -16.699 6.529 -21.638 1.00 62.40 C ATOM 1083 O GLN A 69 -17.788 6.988 -21.288 1.00 55.13 O ATOM 1084 CB GLN A 69 -15.871 6.701 -23.992 1.00 23.22 C ATOM 1085 CG GLN A 69 -17.285 6.643 -24.549 1.00 60.10 C ATOM 1086 CD GLN A 69 -17.820 5.227 -24.636 1.00 20.01 C ATOM 1087 OE1 GLN A 69 -19.060 5.035 -24.204 1.00 71.11 O flip ATOM 1088 NE2 GLN A 69 -17.126 4.315 -25.087 1.00 44.25 N flip ATOM 0 H GLN A 69 -13.745 6.883 -22.762 1.00 12.11 H new ATOM 0 HA GLN A 69 -16.133 8.338 -22.624 1.00 1.21 H new ATOM 0 HB2 GLN A 69 -15.247 7.288 -24.666 1.00 23.22 H new ATOM 0 HB3 GLN A 69 -15.456 5.693 -23.970 1.00 23.22 H new ATOM 0 HG2 GLN A 69 -17.945 7.239 -23.918 1.00 60.10 H new ATOM 0 HG3 GLN A 69 -17.300 7.095 -25.541 1.00 60.10 H new ATOM 0 HE21 GLN A 69 -16.177 4.507 -25.408 1.00 44.25 H new ATOM 0 HE22 GLN A 69 -17.500 3.368 -25.139 1.00 44.25 H new ATOM 1097 N THR A 70 -16.246 5.350 -21.223 1.00 71.21 N ATOM 1098 CA THR A 70 -17.018 4.512 -20.314 1.00 73.30 C ATOM 1099 C THR A 70 -16.179 4.083 -19.116 1.00 75.12 C ATOM 1100 O THR A 70 -16.230 2.930 -18.690 1.00 31.40 O ATOM 1101 CB THR A 70 -17.553 3.255 -21.027 1.00 10.33 C ATOM 1102 OG1 THR A 70 -17.630 3.488 -22.438 1.00 74.41 O ATOM 1103 CG2 THR A 70 -18.927 2.875 -20.496 1.00 74.44 C ATOM 0 H THR A 70 -15.348 4.954 -21.502 1.00 71.21 H new ATOM 0 HA THR A 70 -17.860 5.112 -19.969 1.00 73.30 H new ATOM 0 HB THR A 70 -16.865 2.433 -20.831 1.00 10.33 H new ATOM 0 HG1 THR A 70 -18.483 3.920 -22.652 1.00 74.41 H new ATOM 0 HG21 THR A 70 -19.284 1.985 -21.014 1.00 74.44 H new ATOM 0 HG22 THR A 70 -18.860 2.670 -19.427 1.00 74.44 H new ATOM 0 HG23 THR A 70 -19.623 3.697 -20.665 1.00 74.44 H new ATOM 1111 N GLY A 71 -15.407 5.020 -18.574 1.00 12.22 N ATOM 1112 CA GLY A 71 -14.568 4.719 -17.428 1.00 44.42 C ATOM 1113 C GLY A 71 -15.214 5.120 -16.116 1.00 15.53 C ATOM 1114 O GLY A 71 -15.523 6.292 -15.902 1.00 31.43 O ATOM 0 H GLY A 71 -15.347 5.982 -18.908 1.00 12.22 H new ATOM 0 HA2 GLY A 71 -14.351 3.651 -17.411 1.00 44.42 H new ATOM 0 HA3 GLY A 71 -13.615 5.237 -17.533 1.00 44.42 H new ATOM 1118 N SER A 72 -15.417 4.145 -15.237 1.00 63.25 N ATOM 1119 CA SER A 72 -16.035 4.401 -13.941 1.00 53.43 C ATOM 1120 C SER A 72 -15.262 5.469 -13.172 1.00 31.11 C ATOM 1121 O SER A 72 -14.197 5.910 -13.604 1.00 54.52 O ATOM 1122 CB SER A 72 -16.100 3.113 -13.119 1.00 63.20 C ATOM 1123 OG SER A 72 -14.834 2.791 -12.573 1.00 15.40 O ATOM 0 H SER A 72 -15.163 3.170 -15.398 1.00 63.25 H new ATOM 0 HA SER A 72 -17.048 4.764 -14.115 1.00 53.43 H new ATOM 0 HB2 SER A 72 -16.827 3.227 -12.315 1.00 63.20 H new ATOM 0 HB3 SER A 72 -16.447 2.294 -13.749 1.00 63.20 H new ATOM 0 HG SER A 72 -14.904 1.965 -12.051 1.00 15.40 H new ATOM 1129 N GLU A 73 -15.806 5.879 -12.031 1.00 72.24 N ATOM 1130 CA GLU A 73 -15.168 6.895 -11.202 1.00 61.11 C ATOM 1131 C GLU A 73 -13.730 6.504 -10.874 1.00 44.53 C ATOM 1132 O GLU A 73 -12.865 7.365 -10.714 1.00 72.33 O ATOM 1133 CB GLU A 73 -15.961 7.102 -9.909 1.00 35.14 C ATOM 1134 CG GLU A 73 -15.798 8.488 -9.311 1.00 54.41 C ATOM 1135 CD GLU A 73 -15.820 8.476 -7.795 1.00 25.02 C ATOM 1136 OE1 GLU A 73 -14.756 8.238 -7.188 1.00 71.14 O ATOM 1137 OE2 GLU A 73 -16.904 8.706 -7.216 1.00 34.35 O ATOM 0 H GLU A 73 -16.687 5.523 -11.659 1.00 72.24 H new ATOM 0 HA GLU A 73 -15.153 7.829 -11.763 1.00 61.11 H new ATOM 0 HB2 GLU A 73 -17.018 6.923 -10.108 1.00 35.14 H new ATOM 0 HB3 GLU A 73 -15.645 6.360 -9.176 1.00 35.14 H new ATOM 0 HG2 GLU A 73 -14.857 8.919 -9.653 1.00 54.41 H new ATOM 0 HG3 GLU A 73 -16.596 9.134 -9.677 1.00 54.41 H new ATOM 1144 N GLU A 74 -13.485 5.202 -10.774 1.00 54.41 N ATOM 1145 CA GLU A 74 -12.152 4.698 -10.463 1.00 10.31 C ATOM 1146 C GLU A 74 -11.166 5.046 -11.575 1.00 53.04 C ATOM 1147 O GLU A 74 -9.969 5.208 -11.331 1.00 42.30 O ATOM 1148 CB GLU A 74 -12.191 3.182 -10.257 1.00 51.42 C ATOM 1149 CG GLU A 74 -11.594 2.733 -8.933 1.00 11.35 C ATOM 1150 CD GLU A 74 -12.191 1.431 -8.437 1.00 63.01 C ATOM 1151 OE1 GLU A 74 -12.488 0.557 -9.277 1.00 24.23 O ATOM 1152 OE2 GLU A 74 -12.362 1.287 -7.208 1.00 14.13 O ATOM 0 H GLU A 74 -14.191 4.477 -10.904 1.00 54.41 H new ATOM 0 HA GLU A 74 -11.817 5.174 -9.541 1.00 10.31 H new ATOM 0 HB2 GLU A 74 -13.225 2.842 -10.314 1.00 51.42 H new ATOM 0 HB3 GLU A 74 -11.652 2.699 -11.072 1.00 51.42 H new ATOM 0 HG2 GLU A 74 -10.516 2.615 -9.046 1.00 11.35 H new ATOM 0 HG3 GLU A 74 -11.753 3.510 -8.185 1.00 11.35 H new ATOM 1159 N LEU A 75 -11.676 5.159 -12.796 1.00 34.54 N ATOM 1160 CA LEU A 75 -10.841 5.487 -13.946 1.00 31.33 C ATOM 1161 C LEU A 75 -10.468 6.966 -13.944 1.00 23.11 C ATOM 1162 O LEU A 75 -9.363 7.338 -14.342 1.00 62.55 O ATOM 1163 CB LEU A 75 -11.568 5.134 -15.246 1.00 72.32 C ATOM 1164 CG LEU A 75 -10.683 4.941 -16.478 1.00 12.21 C ATOM 1165 CD1 LEU A 75 -11.164 3.756 -17.300 1.00 21.32 C ATOM 1166 CD2 LEU A 75 -10.663 6.206 -17.324 1.00 31.31 C ATOM 0 H LEU A 75 -12.664 5.028 -13.015 1.00 34.54 H new ATOM 0 HA LEU A 75 -9.925 4.900 -13.878 1.00 31.33 H new ATOM 0 HB2 LEU A 75 -12.136 4.218 -15.084 1.00 72.32 H new ATOM 0 HB3 LEU A 75 -12.289 5.922 -15.461 1.00 72.32 H new ATOM 0 HG LEU A 75 -9.666 4.736 -16.143 1.00 12.21 H new ATOM 0 HD11 LEU A 75 -10.522 3.634 -18.173 1.00 21.32 H new ATOM 0 HD12 LEU A 75 -11.126 2.852 -16.692 1.00 21.32 H new ATOM 0 HD13 LEU A 75 -12.189 3.931 -17.625 1.00 21.32 H new ATOM 0 HD21 LEU A 75 -10.028 6.050 -18.196 1.00 31.31 H new ATOM 0 HD22 LEU A 75 -11.676 6.442 -17.650 1.00 31.31 H new ATOM 0 HD23 LEU A 75 -10.270 7.033 -16.733 1.00 31.31 H new ATOM 1178 N ARG A 76 -11.395 7.805 -13.494 1.00 62.54 N ATOM 1179 CA ARG A 76 -11.164 9.243 -13.438 1.00 35.30 C ATOM 1180 C ARG A 76 -10.002 9.570 -12.504 1.00 10.13 C ATOM 1181 O ARG A 76 -9.045 10.238 -12.899 1.00 61.42 O ATOM 1182 CB ARG A 76 -12.426 9.966 -12.971 1.00 4.50 C ATOM 1183 CG ARG A 76 -12.973 10.955 -13.989 1.00 22.42 C ATOM 1184 CD ARG A 76 -12.368 12.338 -13.804 1.00 24.50 C ATOM 1185 NE ARG A 76 -12.284 13.071 -15.063 1.00 35.22 N ATOM 1186 CZ ARG A 76 -13.324 13.660 -15.643 1.00 72.11 C ATOM 1187 NH1 ARG A 76 -14.522 13.601 -15.079 1.00 61.43 N ATOM 1188 NH2 ARG A 76 -13.167 14.309 -16.790 1.00 65.21 N ATOM 0 H ARG A 76 -12.314 7.513 -13.162 1.00 62.54 H new ATOM 0 HA ARG A 76 -10.909 9.584 -14.441 1.00 35.30 H new ATOM 0 HB2 ARG A 76 -13.195 9.227 -12.745 1.00 4.50 H new ATOM 0 HB3 ARG A 76 -12.209 10.495 -12.043 1.00 4.50 H new ATOM 0 HG2 ARG A 76 -12.762 10.596 -14.996 1.00 22.42 H new ATOM 0 HG3 ARG A 76 -14.057 11.015 -13.893 1.00 22.42 H new ATOM 0 HD2 ARG A 76 -12.970 12.905 -13.094 1.00 24.50 H new ATOM 0 HD3 ARG A 76 -11.372 12.243 -13.373 1.00 24.50 H new ATOM 0 HE ARG A 76 -11.376 13.135 -15.523 1.00 35.22 H new ATOM 0 HH11 ARG A 76 -14.647 13.103 -14.198 1.00 61.43 H new ATOM 0 HH12 ARG A 76 -15.319 14.054 -15.526 1.00 61.43 H new ATOM 0 HH21 ARG A 76 -12.247 14.356 -17.228 1.00 65.21 H new ATOM 0 HH22 ARG A 76 -13.967 14.761 -17.234 1.00 65.21 H new ATOM 1202 N SER A 77 -10.093 9.097 -11.266 1.00 1.23 N ATOM 1203 CA SER A 77 -9.052 9.344 -10.275 1.00 53.25 C ATOM 1204 C SER A 77 -7.683 8.936 -10.812 1.00 42.14 C ATOM 1205 O SER A 77 -6.727 9.709 -10.758 1.00 54.42 O ATOM 1206 CB SER A 77 -9.356 8.580 -8.984 1.00 12.15 C ATOM 1207 OG SER A 77 -9.910 9.438 -8.002 1.00 71.31 O ATOM 0 H SER A 77 -10.877 8.540 -10.925 1.00 1.23 H new ATOM 0 HA SER A 77 -9.034 10.413 -10.060 1.00 53.25 H new ATOM 0 HB2 SER A 77 -10.050 7.767 -9.194 1.00 12.15 H new ATOM 0 HB3 SER A 77 -8.441 8.127 -8.602 1.00 12.15 H new ATOM 0 HG SER A 77 -10.097 8.926 -7.188 1.00 71.31 H new ATOM 1213 N LEU A 78 -7.598 7.715 -11.328 1.00 54.42 N ATOM 1214 CA LEU A 78 -6.348 7.202 -11.875 1.00 34.54 C ATOM 1215 C LEU A 78 -5.805 8.130 -12.958 1.00 73.40 C ATOM 1216 O LEU A 78 -4.664 8.587 -12.883 1.00 24.33 O ATOM 1217 CB LEU A 78 -6.556 5.798 -12.447 1.00 13.24 C ATOM 1218 CG LEU A 78 -5.997 4.644 -11.615 1.00 31.21 C ATOM 1219 CD1 LEU A 78 -4.515 4.850 -11.342 1.00 20.05 C ATOM 1220 CD2 LEU A 78 -6.767 4.506 -10.309 1.00 15.50 C ATOM 0 H LEU A 78 -8.380 7.062 -11.379 1.00 54.42 H new ATOM 0 HA LEU A 78 -5.619 7.153 -11.066 1.00 34.54 H new ATOM 0 HB2 LEU A 78 -7.626 5.637 -12.582 1.00 13.24 H new ATOM 0 HB3 LEU A 78 -6.101 5.760 -13.437 1.00 13.24 H new ATOM 0 HG LEU A 78 -6.116 3.722 -12.184 1.00 31.21 H new ATOM 0 HD11 LEU A 78 -4.135 4.018 -10.749 1.00 20.05 H new ATOM 0 HD12 LEU A 78 -3.974 4.898 -12.287 1.00 20.05 H new ATOM 0 HD13 LEU A 78 -4.372 5.782 -10.794 1.00 20.05 H new ATOM 0 HD21 LEU A 78 -6.355 3.680 -9.730 1.00 15.50 H new ATOM 0 HD22 LEU A 78 -6.680 5.429 -9.736 1.00 15.50 H new ATOM 0 HD23 LEU A 78 -7.817 4.310 -10.525 1.00 15.50 H new ATOM 1232 N TYR A 79 -6.630 8.404 -13.962 1.00 54.01 N ATOM 1233 CA TYR A 79 -6.233 9.277 -15.060 1.00 72.14 C ATOM 1234 C TYR A 79 -5.688 10.601 -14.534 1.00 40.53 C ATOM 1235 O TYR A 79 -4.551 10.974 -14.818 1.00 71.41 O ATOM 1236 CB TYR A 79 -7.421 9.535 -15.988 1.00 22.04 C ATOM 1237 CG TYR A 79 -7.028 10.124 -17.324 1.00 0.33 C ATOM 1238 CD1 TYR A 79 -6.202 9.426 -18.198 1.00 43.13 C ATOM 1239 CD2 TYR A 79 -7.481 11.378 -17.714 1.00 40.25 C ATOM 1240 CE1 TYR A 79 -5.840 9.960 -19.419 1.00 2.45 C ATOM 1241 CE2 TYR A 79 -7.126 11.920 -18.934 1.00 74.22 C ATOM 1242 CZ TYR A 79 -6.304 11.207 -19.783 1.00 63.41 C ATOM 1243 OH TYR A 79 -5.947 11.743 -20.998 1.00 33.13 O ATOM 0 H TYR A 79 -7.578 8.034 -14.038 1.00 54.01 H new ATOM 0 HA TYR A 79 -5.443 8.777 -15.621 1.00 72.14 H new ATOM 0 HB2 TYR A 79 -7.951 8.597 -16.155 1.00 22.04 H new ATOM 0 HB3 TYR A 79 -8.118 10.211 -15.493 1.00 22.04 H new ATOM 0 HD1 TYR A 79 -5.837 8.449 -17.917 1.00 43.13 H new ATOM 0 HD2 TYR A 79 -8.123 11.940 -17.051 1.00 40.25 H new ATOM 0 HE1 TYR A 79 -5.197 9.404 -20.085 1.00 2.45 H new ATOM 0 HE2 TYR A 79 -7.489 12.896 -19.222 1.00 74.22 H new ATOM 0 HH TYR A 79 -6.359 12.626 -21.100 1.00 33.13 H new ATOM 1253 N ASN A 80 -6.509 11.307 -13.763 1.00 50.20 N ATOM 1254 CA ASN A 80 -6.111 12.591 -13.196 1.00 72.40 C ATOM 1255 C ASN A 80 -4.758 12.480 -12.496 1.00 24.32 C ATOM 1256 O ASN A 80 -3.825 13.221 -12.805 1.00 42.42 O ATOM 1257 CB ASN A 80 -7.169 13.086 -12.207 1.00 22.14 C ATOM 1258 CG ASN A 80 -8.218 13.954 -12.873 1.00 43.42 C ATOM 1259 OD1 ASN A 80 -8.755 13.604 -13.924 1.00 50.10 O ATOM 1260 ND2 ASN A 80 -8.516 15.095 -12.261 1.00 2.43 N ATOM 0 H ASN A 80 -7.454 11.012 -13.516 1.00 50.20 H new ATOM 0 HA ASN A 80 -6.022 13.308 -14.012 1.00 72.40 H new ATOM 0 HB2 ASN A 80 -7.654 12.230 -11.738 1.00 22.14 H new ATOM 0 HB3 ASN A 80 -6.683 13.652 -11.412 1.00 22.14 H new ATOM 0 HD21 ASN A 80 -9.215 15.721 -12.661 1.00 2.43 H new ATOM 0 HD22 ASN A 80 -8.046 15.345 -11.391 1.00 2.43 H new ATOM 1267 N THR A 81 -4.661 11.548 -11.554 1.00 31.13 N ATOM 1268 CA THR A 81 -3.424 11.339 -10.810 1.00 0.33 C ATOM 1269 C THR A 81 -2.267 11.016 -11.749 1.00 55.43 C ATOM 1270 O THR A 81 -1.292 11.764 -11.826 1.00 10.05 O ATOM 1271 CB THR A 81 -3.572 10.201 -9.783 1.00 13.52 C ATOM 1272 OG1 THR A 81 -4.700 10.448 -8.937 1.00 61.03 O ATOM 1273 CG2 THR A 81 -2.314 10.071 -8.936 1.00 42.31 C ATOM 0 H THR A 81 -5.424 10.925 -11.288 1.00 31.13 H new ATOM 0 HA THR A 81 -3.211 12.268 -10.282 1.00 0.33 H new ATOM 0 HB THR A 81 -3.724 9.268 -10.326 1.00 13.52 H new ATOM 0 HG1 THR A 81 -5.525 10.239 -9.423 1.00 61.03 H new ATOM 0 HG21 THR A 81 -2.441 9.261 -8.218 1.00 42.31 H new ATOM 0 HG22 THR A 81 -1.462 9.854 -9.581 1.00 42.31 H new ATOM 0 HG23 THR A 81 -2.137 11.005 -8.402 1.00 42.31 H new ATOM 1281 N ILE A 82 -2.382 9.899 -12.458 1.00 34.33 N ATOM 1282 CA ILE A 82 -1.345 9.478 -13.392 1.00 14.12 C ATOM 1283 C ILE A 82 -0.879 10.644 -14.259 1.00 71.45 C ATOM 1284 O ILE A 82 0.319 10.848 -14.451 1.00 53.22 O ATOM 1285 CB ILE A 82 -1.837 8.340 -14.305 1.00 14.10 C ATOM 1286 CG1 ILE A 82 -2.233 7.121 -13.469 1.00 12.41 C ATOM 1287 CG2 ILE A 82 -0.762 7.969 -15.316 1.00 41.41 C ATOM 1288 CD1 ILE A 82 -3.200 6.195 -14.171 1.00 24.11 C ATOM 0 H ILE A 82 -3.182 9.269 -12.404 1.00 34.33 H new ATOM 0 HA ILE A 82 -0.509 9.117 -12.793 1.00 14.12 H new ATOM 0 HB ILE A 82 -2.716 8.685 -14.849 1.00 14.10 H new ATOM 0 HG12 ILE A 82 -1.334 6.563 -13.207 1.00 12.41 H new ATOM 0 HG13 ILE A 82 -2.681 7.461 -12.535 1.00 12.41 H new ATOM 0 HG21 ILE A 82 -1.125 7.163 -15.954 1.00 41.41 H new ATOM 0 HG22 ILE A 82 -0.524 8.838 -15.929 1.00 41.41 H new ATOM 0 HG23 ILE A 82 0.134 7.640 -14.790 1.00 41.41 H new ATOM 0 HD11 ILE A 82 -3.436 5.354 -13.519 1.00 24.11 H new ATOM 0 HD12 ILE A 82 -4.115 6.737 -14.409 1.00 24.11 H new ATOM 0 HD13 ILE A 82 -2.747 5.825 -15.091 1.00 24.11 H new ATOM 1300 N ALA A 83 -1.836 11.407 -14.777 1.00 14.14 N ATOM 1301 CA ALA A 83 -1.523 12.555 -15.621 1.00 64.54 C ATOM 1302 C ALA A 83 -0.484 13.454 -14.960 1.00 31.35 C ATOM 1303 O ALA A 83 0.532 13.794 -15.568 1.00 3.12 O ATOM 1304 CB ALA A 83 -2.789 13.344 -15.926 1.00 33.44 C ATOM 0 H ALA A 83 -2.833 11.252 -14.628 1.00 14.14 H new ATOM 0 HA ALA A 83 -1.103 12.185 -16.556 1.00 64.54 H new ATOM 0 HB1 ALA A 83 -2.542 14.198 -16.557 1.00 33.44 H new ATOM 0 HB2 ALA A 83 -3.501 12.703 -16.446 1.00 33.44 H new ATOM 0 HB3 ALA A 83 -3.231 13.697 -14.994 1.00 33.44 H new ATOM 1310 N VAL A 84 -0.743 13.835 -13.714 1.00 24.32 N ATOM 1311 CA VAL A 84 0.171 14.695 -12.972 1.00 75.34 C ATOM 1312 C VAL A 84 1.548 14.052 -12.844 1.00 33.40 C ATOM 1313 O VAL A 84 2.572 14.710 -13.032 1.00 21.33 O ATOM 1314 CB VAL A 84 -0.370 15.006 -11.564 1.00 71.11 C ATOM 1315 CG1 VAL A 84 0.613 15.876 -10.794 1.00 3.31 C ATOM 1316 CG2 VAL A 84 -1.732 15.677 -11.654 1.00 52.42 C ATOM 0 H VAL A 84 -1.579 13.562 -13.197 1.00 24.32 H new ATOM 0 HA VAL A 84 0.258 15.625 -13.534 1.00 75.34 H new ATOM 0 HB VAL A 84 -0.488 14.067 -11.023 1.00 71.11 H new ATOM 0 HG11 VAL A 84 0.214 16.085 -9.802 1.00 3.31 H new ATOM 0 HG12 VAL A 84 1.565 15.353 -10.699 1.00 3.31 H new ATOM 0 HG13 VAL A 84 0.766 16.813 -11.329 1.00 3.31 H new ATOM 0 HG21 VAL A 84 -2.100 15.890 -10.650 1.00 52.42 H new ATOM 0 HG22 VAL A 84 -1.642 16.609 -12.213 1.00 52.42 H new ATOM 0 HG23 VAL A 84 -2.431 15.014 -12.164 1.00 52.42 H new ATOM 1326 N LEU A 85 1.566 12.763 -12.524 1.00 65.42 N ATOM 1327 CA LEU A 85 2.817 12.029 -12.371 1.00 52.43 C ATOM 1328 C LEU A 85 3.657 12.116 -13.642 1.00 60.43 C ATOM 1329 O LEU A 85 4.801 12.570 -13.611 1.00 3.14 O ATOM 1330 CB LEU A 85 2.535 10.565 -12.031 1.00 43.51 C ATOM 1331 CG LEU A 85 3.446 9.933 -10.977 1.00 4.43 C ATOM 1332 CD1 LEU A 85 2.627 9.427 -9.799 1.00 52.42 C ATOM 1333 CD2 LEU A 85 4.262 8.802 -11.587 1.00 2.41 C ATOM 0 H LEU A 85 0.728 12.204 -12.365 1.00 65.42 H new ATOM 0 HA LEU A 85 3.378 12.482 -11.554 1.00 52.43 H new ATOM 0 HB2 LEU A 85 1.504 10.485 -11.686 1.00 43.51 H new ATOM 0 HB3 LEU A 85 2.611 9.979 -12.947 1.00 43.51 H new ATOM 0 HG LEU A 85 4.134 10.696 -10.614 1.00 4.43 H new ATOM 0 HD11 LEU A 85 3.291 8.981 -9.059 1.00 52.42 H new ATOM 0 HD12 LEU A 85 2.087 10.259 -9.347 1.00 52.42 H new ATOM 0 HD13 LEU A 85 1.915 8.678 -10.146 1.00 52.42 H new ATOM 0 HD21 LEU A 85 4.904 8.364 -10.823 1.00 2.41 H new ATOM 0 HD22 LEU A 85 3.590 8.038 -11.978 1.00 2.41 H new ATOM 0 HD23 LEU A 85 4.877 9.193 -12.398 1.00 2.41 H new ATOM 1345 N TYR A 86 3.082 11.678 -14.755 1.00 24.03 N ATOM 1346 CA TYR A 86 3.777 11.705 -16.037 1.00 4.32 C ATOM 1347 C TYR A 86 4.407 13.072 -16.285 1.00 32.23 C ATOM 1348 O TYR A 86 5.571 13.170 -16.679 1.00 25.23 O ATOM 1349 CB TYR A 86 2.811 11.362 -17.173 1.00 53.52 C ATOM 1350 CG TYR A 86 3.387 11.602 -18.550 1.00 21.10 C ATOM 1351 CD1 TYR A 86 4.119 10.615 -19.199 1.00 42.43 C ATOM 1352 CD2 TYR A 86 3.198 12.813 -19.202 1.00 45.20 C ATOM 1353 CE1 TYR A 86 4.647 10.829 -20.457 1.00 14.53 C ATOM 1354 CE2 TYR A 86 3.721 13.037 -20.461 1.00 22.12 C ATOM 1355 CZ TYR A 86 4.446 12.041 -21.085 1.00 51.54 C ATOM 1356 OH TYR A 86 4.969 12.259 -22.338 1.00 15.13 O ATOM 0 H TYR A 86 2.136 11.300 -14.796 1.00 24.03 H new ATOM 0 HA TYR A 86 4.571 10.959 -16.007 1.00 4.32 H new ATOM 0 HB2 TYR A 86 2.520 10.315 -17.087 1.00 53.52 H new ATOM 0 HB3 TYR A 86 1.904 11.956 -17.059 1.00 53.52 H new ATOM 0 HD1 TYR A 86 4.278 9.665 -18.711 1.00 42.43 H new ATOM 0 HD2 TYR A 86 2.632 13.594 -18.716 1.00 45.20 H new ATOM 0 HE1 TYR A 86 5.214 10.052 -20.947 1.00 14.53 H new ATOM 0 HE2 TYR A 86 3.564 13.985 -20.954 1.00 22.12 H new ATOM 0 HH TYR A 86 4.735 13.162 -22.637 1.00 15.13 H new ATOM 1366 N CYS A 87 3.631 14.124 -16.053 1.00 40.44 N ATOM 1367 CA CYS A 87 4.112 15.488 -16.250 1.00 2.15 C ATOM 1368 C CYS A 87 5.370 15.745 -15.429 1.00 14.33 C ATOM 1369 O CYS A 87 6.353 16.291 -15.932 1.00 23.44 O ATOM 1370 CB CYS A 87 3.025 16.494 -15.871 1.00 40.52 C ATOM 1371 SG CYS A 87 1.878 16.883 -17.213 1.00 43.15 S ATOM 0 H CYS A 87 2.666 14.060 -15.728 1.00 40.44 H new ATOM 0 HA CYS A 87 4.358 15.611 -17.305 1.00 2.15 H new ATOM 0 HB2 CYS A 87 2.459 16.100 -15.027 1.00 40.52 H new ATOM 0 HB3 CYS A 87 3.500 17.416 -15.535 1.00 40.52 H new ATOM 0 HG CYS A 87 0.995 17.740 -16.794 1.00 43.15 H new ATOM 1377 N VAL A 88 5.334 15.350 -14.160 1.00 51.10 N ATOM 1378 CA VAL A 88 6.471 15.538 -13.268 1.00 50.32 C ATOM 1379 C VAL A 88 7.730 14.895 -13.837 1.00 2.33 C ATOM 1380 O VAL A 88 8.799 15.506 -13.855 1.00 35.31 O ATOM 1381 CB VAL A 88 6.193 14.948 -11.872 1.00 5.42 C ATOM 1382 CG1 VAL A 88 7.387 15.161 -10.955 1.00 53.55 C ATOM 1383 CG2 VAL A 88 4.935 15.563 -11.276 1.00 74.52 C ATOM 0 H VAL A 88 4.529 14.898 -13.727 1.00 51.10 H new ATOM 0 HA VAL A 88 6.626 16.613 -13.177 1.00 50.32 H new ATOM 0 HB VAL A 88 6.032 13.875 -11.975 1.00 5.42 H new ATOM 0 HG11 VAL A 88 7.172 14.738 -9.974 1.00 53.55 H new ATOM 0 HG12 VAL A 88 8.263 14.670 -11.378 1.00 53.55 H new ATOM 0 HG13 VAL A 88 7.583 16.229 -10.855 1.00 53.55 H new ATOM 0 HG21 VAL A 88 4.753 15.135 -10.290 1.00 74.52 H new ATOM 0 HG22 VAL A 88 5.065 16.641 -11.185 1.00 74.52 H new ATOM 0 HG23 VAL A 88 4.085 15.353 -11.925 1.00 74.52 H new ATOM 1393 N HIS A 89 7.596 13.658 -14.304 1.00 63.33 N ATOM 1394 CA HIS A 89 8.723 12.930 -14.877 1.00 31.23 C ATOM 1395 C HIS A 89 9.308 13.685 -16.067 1.00 13.52 C ATOM 1396 O HIS A 89 10.530 13.645 -16.217 1.00 24.32 O ATOM 1397 CB HIS A 89 8.286 11.531 -15.314 1.00 71.43 C ATOM 1398 CG HIS A 89 8.435 10.496 -14.240 1.00 13.15 C ATOM 1399 ND1 HIS A 89 9.453 10.517 -13.310 1.00 4.11 N ATOM 1400 CD2 HIS A 89 7.688 9.405 -13.952 1.00 23.03 C ATOM 1401 CE1 HIS A 89 9.324 9.483 -12.498 1.00 50.53 C ATOM 1402 NE2 HIS A 89 8.260 8.793 -12.866 1.00 51.12 N ATOM 0 H HIS A 89 6.718 13.138 -14.297 1.00 63.33 H new ATOM 0 HA HIS A 89 9.492 12.840 -14.110 1.00 31.23 H new ATOM 0 HB2 HIS A 89 7.244 11.567 -15.631 1.00 71.43 H new ATOM 0 HB3 HIS A 89 8.873 11.230 -16.182 1.00 71.43 H new ATOM 0 HD1 HIS A 89 10.190 11.220 -13.257 1.00 4.11 H new ATOM 0 HD2 HIS A 89 6.805 9.077 -14.480 1.00 23.03 H new ATOM 0 HE1 HIS A 89 9.978 9.243 -11.673 1.00 50.53 H new ATOM 0 HE2 HIS A 89 7.919 7.943 -12.416 1.00 51.12 H new ATOM 1411 N GLN A 90 8.500 14.351 -16.885 1.00 34.23 N ATOM 1412 CA GLN A 90 9.014 15.087 -18.035 1.00 33.24 C ATOM 1413 C GLN A 90 9.398 16.510 -17.643 1.00 35.33 C ATOM 1414 O GLN A 90 9.566 17.376 -18.501 1.00 13.22 O ATOM 1415 CB GLN A 90 7.973 15.117 -19.155 1.00 53.41 C ATOM 1416 CG GLN A 90 7.974 13.868 -20.021 1.00 63.54 C ATOM 1417 CD GLN A 90 8.551 14.115 -21.401 1.00 72.23 C ATOM 1418 OE1 GLN A 90 7.979 14.854 -22.202 1.00 32.55 O ATOM 1419 NE2 GLN A 90 9.691 13.495 -21.686 1.00 51.55 N ATOM 0 H GLN A 90 7.487 14.396 -16.773 1.00 34.23 H new ATOM 0 HA GLN A 90 9.907 14.575 -18.393 1.00 33.24 H new ATOM 0 HB2 GLN A 90 6.983 15.244 -18.716 1.00 53.41 H new ATOM 0 HB3 GLN A 90 8.156 15.987 -19.786 1.00 53.41 H new ATOM 0 HG2 GLN A 90 8.550 13.087 -19.525 1.00 63.54 H new ATOM 0 HG3 GLN A 90 6.954 13.498 -20.119 1.00 63.54 H new ATOM 0 HE21 GLN A 90 10.131 12.891 -20.991 1.00 51.55 H new ATOM 0 HE22 GLN A 90 10.127 13.623 -22.599 1.00 51.55 H new ATOM 1428 N ARG A 91 9.536 16.742 -16.342 1.00 52.44 N ATOM 1429 CA ARG A 91 9.899 18.061 -15.836 1.00 44.12 C ATOM 1430 C ARG A 91 8.853 19.101 -16.227 1.00 63.12 C ATOM 1431 O ARG A 91 9.190 20.210 -16.640 1.00 53.25 O ATOM 1432 CB ARG A 91 11.270 18.476 -16.372 1.00 54.14 C ATOM 1433 CG ARG A 91 12.132 19.199 -15.348 1.00 64.43 C ATOM 1434 CD ARG A 91 12.769 18.224 -14.370 1.00 22.12 C ATOM 1435 NE ARG A 91 14.197 18.478 -14.197 1.00 64.32 N ATOM 1436 CZ ARG A 91 14.970 17.788 -13.366 1.00 34.24 C ATOM 1437 NH1 ARG A 91 14.457 16.806 -12.638 1.00 41.44 N ATOM 1438 NH2 ARG A 91 16.261 18.079 -13.265 1.00 62.33 N ATOM 0 H ARG A 91 9.402 16.035 -15.619 1.00 52.44 H new ATOM 0 HA ARG A 91 9.942 18.006 -14.748 1.00 44.12 H new ATOM 0 HB2 ARG A 91 11.799 17.588 -16.718 1.00 54.14 H new ATOM 0 HB3 ARG A 91 11.131 19.122 -17.239 1.00 54.14 H new ATOM 0 HG2 ARG A 91 12.911 19.764 -15.860 1.00 64.43 H new ATOM 0 HG3 ARG A 91 11.523 19.919 -14.801 1.00 64.43 H new ATOM 0 HD2 ARG A 91 12.268 18.299 -13.405 1.00 22.12 H new ATOM 0 HD3 ARG A 91 12.623 17.205 -14.727 1.00 22.12 H new ATOM 0 HE ARG A 91 14.624 19.226 -14.744 1.00 64.32 H new ATOM 0 HH11 ARG A 91 13.466 16.578 -12.715 1.00 41.44 H new ATOM 0 HH12 ARG A 91 15.054 16.278 -12.001 1.00 41.44 H new ATOM 0 HH21 ARG A 91 16.659 18.832 -13.825 1.00 62.33 H new ATOM 0 HH22 ARG A 91 16.855 17.549 -12.627 1.00 62.33 H new ATOM 1452 N ILE A 92 7.582 18.733 -16.095 1.00 73.32 N ATOM 1453 CA ILE A 92 6.487 19.633 -16.434 1.00 72.33 C ATOM 1454 C ILE A 92 5.825 20.191 -15.178 1.00 31.44 C ATOM 1455 O ILE A 92 5.216 19.451 -14.406 1.00 72.12 O ATOM 1456 CB ILE A 92 5.422 18.926 -17.292 1.00 31.35 C ATOM 1457 CG1 ILE A 92 6.071 18.275 -18.516 1.00 3.15 C ATOM 1458 CG2 ILE A 92 4.344 19.911 -17.717 1.00 0.31 C ATOM 1459 CD1 ILE A 92 5.087 17.544 -19.404 1.00 53.10 C ATOM 0 H ILE A 92 7.286 17.818 -15.756 1.00 73.32 H new ATOM 0 HA ILE A 92 6.918 20.452 -17.009 1.00 72.33 H new ATOM 0 HB ILE A 92 4.955 18.144 -16.693 1.00 31.35 H new ATOM 0 HG12 ILE A 92 6.575 19.043 -19.102 1.00 3.15 H new ATOM 0 HG13 ILE A 92 6.837 17.575 -18.182 1.00 3.15 H new ATOM 0 HG21 ILE A 92 3.599 19.396 -18.323 1.00 0.31 H new ATOM 0 HG22 ILE A 92 3.865 20.331 -16.832 1.00 0.31 H new ATOM 0 HG23 ILE A 92 4.794 20.714 -18.301 1.00 0.31 H new ATOM 0 HD11 ILE A 92 5.616 17.108 -20.251 1.00 53.10 H new ATOM 0 HD12 ILE A 92 4.600 16.753 -18.834 1.00 53.10 H new ATOM 0 HD13 ILE A 92 4.335 18.244 -19.768 1.00 53.10 H new ATOM 1471 N ASP A 93 5.948 21.498 -14.983 1.00 71.01 N ATOM 1472 CA ASP A 93 5.359 22.157 -13.823 1.00 65.53 C ATOM 1473 C ASP A 93 3.946 22.642 -14.132 1.00 14.21 C ATOM 1474 O ASP A 93 3.746 23.490 -15.002 1.00 14.21 O ATOM 1475 CB ASP A 93 6.230 23.332 -13.380 1.00 42.34 C ATOM 1476 CG ASP A 93 6.050 23.666 -11.911 1.00 33.04 C ATOM 1477 OD1 ASP A 93 4.926 23.488 -11.396 1.00 72.31 O ATOM 1478 OD2 ASP A 93 7.033 24.104 -11.278 1.00 22.31 O ATOM 0 H ASP A 93 6.450 22.123 -15.613 1.00 71.01 H new ATOM 0 HA ASP A 93 5.305 21.430 -13.012 1.00 65.53 H new ATOM 0 HB2 ASP A 93 7.277 23.096 -13.570 1.00 42.34 H new ATOM 0 HB3 ASP A 93 5.986 24.208 -13.981 1.00 42.34 H new ATOM 1483 N VAL A 94 2.968 22.098 -13.415 1.00 55.12 N ATOM 1484 CA VAL A 94 1.574 22.476 -13.613 1.00 45.43 C ATOM 1485 C VAL A 94 1.046 23.272 -12.424 1.00 22.45 C ATOM 1486 O VAL A 94 1.603 23.215 -11.328 1.00 63.45 O ATOM 1487 CB VAL A 94 0.682 21.239 -13.825 1.00 51.33 C ATOM 1488 CG1 VAL A 94 1.104 20.485 -15.076 1.00 31.43 C ATOM 1489 CG2 VAL A 94 0.729 20.332 -12.604 1.00 2.40 C ATOM 0 H VAL A 94 3.115 21.394 -12.692 1.00 55.12 H new ATOM 0 HA VAL A 94 1.539 23.098 -14.507 1.00 45.43 H new ATOM 0 HB VAL A 94 -0.347 21.573 -13.961 1.00 51.33 H new ATOM 0 HG11 VAL A 94 0.462 19.614 -15.210 1.00 31.43 H new ATOM 0 HG12 VAL A 94 1.013 21.139 -15.943 1.00 31.43 H new ATOM 0 HG13 VAL A 94 2.140 20.161 -14.973 1.00 31.43 H new ATOM 0 HG21 VAL A 94 0.093 19.463 -12.772 1.00 2.40 H new ATOM 0 HG22 VAL A 94 1.754 20.004 -12.434 1.00 2.40 H new ATOM 0 HG23 VAL A 94 0.374 20.879 -11.731 1.00 2.40 H new ATOM 1499 N LYS A 95 -0.033 24.015 -12.648 1.00 34.23 N ATOM 1500 CA LYS A 95 -0.639 24.822 -11.596 1.00 12.15 C ATOM 1501 C LYS A 95 -1.569 23.978 -10.731 1.00 74.31 C ATOM 1502 O LYS A 95 -1.927 24.372 -9.621 1.00 72.32 O ATOM 1503 CB LYS A 95 -1.415 25.992 -12.206 1.00 34.33 C ATOM 1504 CG LYS A 95 -1.371 27.255 -11.364 1.00 61.15 C ATOM 1505 CD LYS A 95 -0.668 28.387 -12.092 1.00 42.34 C ATOM 1506 CE LYS A 95 -1.041 29.742 -11.509 1.00 54.15 C ATOM 1507 NZ LYS A 95 -2.217 30.338 -12.199 1.00 10.33 N ATOM 0 H LYS A 95 -0.506 24.075 -13.550 1.00 34.23 H new ATOM 0 HA LYS A 95 0.160 25.213 -10.966 1.00 12.15 H new ATOM 0 HB2 LYS A 95 -1.010 26.210 -13.194 1.00 34.33 H new ATOM 0 HB3 LYS A 95 -2.454 25.694 -12.346 1.00 34.33 H new ATOM 0 HG2 LYS A 95 -2.386 27.560 -11.110 1.00 61.15 H new ATOM 0 HG3 LYS A 95 -0.856 27.050 -10.425 1.00 61.15 H new ATOM 0 HD2 LYS A 95 0.411 28.247 -12.028 1.00 42.34 H new ATOM 0 HD3 LYS A 95 -0.931 28.360 -13.149 1.00 42.34 H new ATOM 0 HE2 LYS A 95 -1.260 29.632 -10.447 1.00 54.15 H new ATOM 0 HE3 LYS A 95 -0.191 30.419 -11.591 1.00 54.15 H new ATOM 0 HZ1 LYS A 95 -2.439 31.260 -11.773 1.00 10.33 H new ATOM 0 HZ2 LYS A 95 -1.999 30.466 -13.208 1.00 10.33 H new ATOM 0 HZ3 LYS A 95 -3.036 29.704 -12.100 1.00 10.33 H new ATOM 1521 N ASP A 96 -1.956 22.816 -11.245 1.00 30.22 N ATOM 1522 CA ASP A 96 -2.842 21.914 -10.518 1.00 5.42 C ATOM 1523 C ASP A 96 -3.150 20.670 -11.344 1.00 33.52 C ATOM 1524 O ASP A 96 -2.657 20.516 -12.462 1.00 31.35 O ATOM 1525 CB ASP A 96 -4.143 22.631 -10.150 1.00 51.10 C ATOM 1526 CG ASP A 96 -4.567 23.637 -11.202 1.00 53.30 C ATOM 1527 OD1 ASP A 96 -4.912 23.212 -12.324 1.00 14.24 O ATOM 1528 OD2 ASP A 96 -4.555 24.848 -10.902 1.00 4.51 O ATOM 0 H ASP A 96 -1.670 22.476 -12.163 1.00 30.22 H new ATOM 0 HA ASP A 96 -2.334 21.604 -9.605 1.00 5.42 H new ATOM 0 HB2 ASP A 96 -4.935 21.894 -10.016 1.00 51.10 H new ATOM 0 HB3 ASP A 96 -4.016 23.140 -9.195 1.00 51.10 H new ATOM 1533 N THR A 97 -3.966 19.782 -10.787 1.00 44.32 N ATOM 1534 CA THR A 97 -4.337 18.549 -11.471 1.00 40.34 C ATOM 1535 C THR A 97 -5.164 18.840 -12.718 1.00 10.11 C ATOM 1536 O THR A 97 -5.389 17.957 -13.546 1.00 25.00 O ATOM 1537 CB THR A 97 -5.138 17.612 -10.545 1.00 12.52 C ATOM 1538 OG1 THR A 97 -4.421 17.401 -9.323 1.00 4.15 O ATOM 1539 CG2 THR A 97 -5.399 16.276 -11.223 1.00 12.21 C ATOM 0 H THR A 97 -4.383 19.893 -9.863 1.00 44.32 H new ATOM 0 HA THR A 97 -3.409 18.056 -11.760 1.00 40.34 H new ATOM 0 HB THR A 97 -6.096 18.084 -10.327 1.00 12.52 H new ATOM 0 HG1 THR A 97 -4.926 17.786 -8.577 1.00 4.15 H new ATOM 0 HG21 THR A 97 -5.965 15.631 -10.551 1.00 12.21 H new ATOM 0 HG22 THR A 97 -5.970 16.437 -12.138 1.00 12.21 H new ATOM 0 HG23 THR A 97 -4.449 15.800 -11.467 1.00 12.21 H new ATOM 1547 N LYS A 98 -5.613 20.084 -12.848 1.00 2.31 N ATOM 1548 CA LYS A 98 -6.414 20.492 -13.995 1.00 13.45 C ATOM 1549 C LYS A 98 -5.522 20.873 -15.173 1.00 12.12 C ATOM 1550 O LYS A 98 -5.625 20.295 -16.254 1.00 71.43 O ATOM 1551 CB LYS A 98 -7.314 21.673 -13.622 1.00 12.01 C ATOM 1552 CG LYS A 98 -8.460 21.895 -14.593 1.00 11.30 C ATOM 1553 CD LYS A 98 -9.663 21.035 -14.244 1.00 54.33 C ATOM 1554 CE LYS A 98 -10.962 21.813 -14.378 1.00 21.44 C ATOM 1555 NZ LYS A 98 -11.180 22.733 -13.228 1.00 71.33 N ATOM 0 H LYS A 98 -5.435 20.827 -12.172 1.00 2.31 H new ATOM 0 HA LYS A 98 -7.037 19.647 -14.290 1.00 13.45 H new ATOM 0 HB2 LYS A 98 -7.721 21.508 -12.624 1.00 12.01 H new ATOM 0 HB3 LYS A 98 -6.709 22.579 -13.574 1.00 12.01 H new ATOM 0 HG2 LYS A 98 -8.748 22.946 -14.583 1.00 11.30 H new ATOM 0 HG3 LYS A 98 -8.129 21.665 -15.606 1.00 11.30 H new ATOM 0 HD2 LYS A 98 -9.691 20.164 -14.898 1.00 54.33 H new ATOM 0 HD3 LYS A 98 -9.563 20.665 -13.224 1.00 54.33 H new ATOM 0 HE2 LYS A 98 -10.947 22.387 -15.304 1.00 21.44 H new ATOM 0 HE3 LYS A 98 -11.797 21.116 -14.448 1.00 21.44 H new ATOM 0 HZ1 LYS A 98 -12.076 23.245 -13.358 1.00 71.33 H new ATOM 0 HZ2 LYS A 98 -11.220 22.183 -12.346 1.00 71.33 H new ATOM 0 HZ3 LYS A 98 -10.397 23.415 -13.176 1.00 71.33 H new ATOM 1569 N GLU A 99 -4.645 21.849 -14.955 1.00 51.14 N ATOM 1570 CA GLU A 99 -3.734 22.305 -15.999 1.00 62.53 C ATOM 1571 C GLU A 99 -2.795 21.183 -16.429 1.00 35.14 C ATOM 1572 O GLU A 99 -2.167 21.256 -17.485 1.00 65.52 O ATOM 1573 CB GLU A 99 -2.923 23.505 -15.509 1.00 55.51 C ATOM 1574 CG GLU A 99 -3.355 24.825 -16.126 1.00 52.25 C ATOM 1575 CD GLU A 99 -2.354 25.354 -17.134 1.00 55.34 C ATOM 1576 OE1 GLU A 99 -1.145 25.364 -16.819 1.00 43.43 O ATOM 1577 OE2 GLU A 99 -2.778 25.759 -18.237 1.00 73.25 O ATOM 0 H GLU A 99 -4.546 22.339 -14.066 1.00 51.14 H new ATOM 0 HA GLU A 99 -4.330 22.606 -16.861 1.00 62.53 H new ATOM 0 HB2 GLU A 99 -3.012 23.574 -14.425 1.00 55.51 H new ATOM 0 HB3 GLU A 99 -1.870 23.337 -15.733 1.00 55.51 H new ATOM 0 HG2 GLU A 99 -4.321 24.695 -16.613 1.00 52.25 H new ATOM 0 HG3 GLU A 99 -3.493 25.563 -15.336 1.00 52.25 H new ATOM 1584 N ALA A 100 -2.702 20.147 -15.602 1.00 21.43 N ATOM 1585 CA ALA A 100 -1.841 19.008 -15.897 1.00 0.24 C ATOM 1586 C ALA A 100 -2.465 18.107 -16.957 1.00 13.31 C ATOM 1587 O ALA A 100 -1.787 17.656 -17.881 1.00 72.22 O ATOM 1588 CB ALA A 100 -1.558 18.217 -14.629 1.00 43.53 C ATOM 0 H ALA A 100 -3.212 20.073 -14.722 1.00 21.43 H new ATOM 0 HA ALA A 100 -0.899 19.390 -16.291 1.00 0.24 H new ATOM 0 HB1 ALA A 100 -0.914 17.370 -14.865 1.00 43.53 H new ATOM 0 HB2 ALA A 100 -1.061 18.860 -13.903 1.00 43.53 H new ATOM 0 HB3 ALA A 100 -2.496 17.854 -14.210 1.00 43.53 H new ATOM 1594 N LEU A 101 -3.761 17.847 -16.818 1.00 55.34 N ATOM 1595 CA LEU A 101 -4.476 16.999 -17.764 1.00 43.10 C ATOM 1596 C LEU A 101 -4.595 17.679 -19.124 1.00 0.22 C ATOM 1597 O LEU A 101 -4.759 17.016 -20.148 1.00 32.22 O ATOM 1598 CB LEU A 101 -5.869 16.664 -17.225 1.00 62.21 C ATOM 1599 CG LEU A 101 -5.929 15.575 -16.153 1.00 43.20 C ATOM 1600 CD1 LEU A 101 -7.067 15.846 -15.182 1.00 62.24 C ATOM 1601 CD2 LEU A 101 -6.088 14.203 -16.794 1.00 53.43 C ATOM 0 H LEU A 101 -4.337 18.212 -16.059 1.00 55.34 H new ATOM 0 HA LEU A 101 -3.909 16.077 -17.889 1.00 43.10 H new ATOM 0 HB2 LEU A 101 -6.307 17.574 -16.815 1.00 62.21 H new ATOM 0 HB3 LEU A 101 -6.497 16.357 -18.062 1.00 62.21 H new ATOM 0 HG LEU A 101 -4.992 15.587 -15.596 1.00 43.20 H new ATOM 0 HD11 LEU A 101 -7.095 15.061 -14.426 1.00 62.24 H new ATOM 0 HD12 LEU A 101 -6.911 16.810 -14.698 1.00 62.24 H new ATOM 0 HD13 LEU A 101 -8.012 15.861 -15.724 1.00 62.24 H new ATOM 0 HD21 LEU A 101 -6.129 13.441 -16.016 1.00 53.43 H new ATOM 0 HD22 LEU A 101 -7.009 14.178 -17.376 1.00 53.43 H new ATOM 0 HD23 LEU A 101 -5.240 14.007 -17.450 1.00 53.43 H new ATOM 1613 N ASP A 102 -4.509 19.004 -19.126 1.00 12.31 N ATOM 1614 CA ASP A 102 -4.602 19.774 -20.361 1.00 3.02 C ATOM 1615 C ASP A 102 -3.293 19.712 -21.141 1.00 21.23 C ATOM 1616 O ASP A 102 -3.289 19.486 -22.352 1.00 11.11 O ATOM 1617 CB ASP A 102 -4.959 21.230 -20.054 1.00 51.25 C ATOM 1618 CG ASP A 102 -6.361 21.590 -20.505 1.00 14.40 C ATOM 1619 OD1 ASP A 102 -7.283 20.782 -20.275 1.00 41.21 O ATOM 1620 OD2 ASP A 102 -6.535 22.682 -21.088 1.00 34.44 O ATOM 0 H ASP A 102 -4.375 19.568 -18.287 1.00 12.31 H new ATOM 0 HA ASP A 102 -5.390 19.336 -20.974 1.00 3.02 H new ATOM 0 HB2 ASP A 102 -4.869 21.405 -18.982 1.00 51.25 H new ATOM 0 HB3 ASP A 102 -4.242 21.888 -20.545 1.00 51.25 H new ATOM 1625 N LYS A 103 -2.182 19.915 -20.441 1.00 25.20 N ATOM 1626 CA LYS A 103 -0.866 19.883 -21.066 1.00 25.53 C ATOM 1627 C LYS A 103 -0.587 18.511 -21.674 1.00 14.53 C ATOM 1628 O LYS A 103 0.193 18.388 -22.620 1.00 3.42 O ATOM 1629 CB LYS A 103 0.216 20.228 -20.042 1.00 74.41 C ATOM 1630 CG LYS A 103 0.827 21.605 -20.242 1.00 30.52 C ATOM 1631 CD LYS A 103 2.021 21.554 -21.181 1.00 42.45 C ATOM 1632 CE LYS A 103 1.614 21.851 -22.617 1.00 71.45 C ATOM 1633 NZ LYS A 103 1.811 20.672 -23.504 1.00 23.22 N ATOM 0 H LYS A 103 -2.167 20.104 -19.439 1.00 25.20 H new ATOM 0 HA LYS A 103 -0.851 20.625 -21.864 1.00 25.53 H new ATOM 0 HB2 LYS A 103 -0.212 20.172 -19.041 1.00 74.41 H new ATOM 0 HB3 LYS A 103 1.006 19.478 -20.094 1.00 74.41 H new ATOM 0 HG2 LYS A 103 0.075 22.283 -20.645 1.00 30.52 H new ATOM 0 HG3 LYS A 103 1.137 22.010 -19.279 1.00 30.52 H new ATOM 0 HD2 LYS A 103 2.771 22.276 -20.857 1.00 42.45 H new ATOM 0 HD3 LYS A 103 2.484 20.569 -21.129 1.00 42.45 H new ATOM 0 HE2 LYS A 103 0.567 22.154 -22.643 1.00 71.45 H new ATOM 0 HE3 LYS A 103 2.198 22.691 -22.994 1.00 71.45 H new ATOM 0 HZ1 LYS A 103 1.538 20.920 -24.477 1.00 23.22 H new ATOM 0 HZ2 LYS A 103 2.811 20.388 -23.487 1.00 23.22 H new ATOM 0 HZ3 LYS A 103 1.221 19.883 -23.170 1.00 23.22 H new ATOM 1647 N ILE A 104 -1.228 17.484 -21.127 1.00 2.21 N ATOM 1648 CA ILE A 104 -1.050 16.124 -21.618 1.00 63.14 C ATOM 1649 C ILE A 104 -1.908 15.868 -22.852 1.00 71.04 C ATOM 1650 O ILE A 104 -1.635 14.955 -23.631 1.00 51.31 O ATOM 1651 CB ILE A 104 -1.403 15.084 -20.537 1.00 13.53 C ATOM 1652 CG1 ILE A 104 -0.429 15.188 -19.362 1.00 53.32 C ATOM 1653 CG2 ILE A 104 -1.385 13.681 -21.125 1.00 53.44 C ATOM 1654 CD1 ILE A 104 -0.785 14.286 -18.201 1.00 13.22 C ATOM 0 H ILE A 104 -1.875 17.568 -20.343 1.00 2.21 H new ATOM 0 HA ILE A 104 0.002 16.020 -21.882 1.00 63.14 H new ATOM 0 HB ILE A 104 -2.409 15.290 -20.170 1.00 13.53 H new ATOM 0 HG12 ILE A 104 0.574 14.941 -19.709 1.00 53.32 H new ATOM 0 HG13 ILE A 104 -0.401 16.221 -19.014 1.00 53.32 H new ATOM 0 HG21 ILE A 104 -1.636 12.958 -20.349 1.00 53.44 H new ATOM 0 HG22 ILE A 104 -2.115 13.615 -21.932 1.00 53.44 H new ATOM 0 HG23 ILE A 104 -0.391 13.463 -21.516 1.00 53.44 H new ATOM 0 HD11 ILE A 104 -0.052 14.412 -17.404 1.00 13.22 H new ATOM 0 HD12 ILE A 104 -1.775 14.547 -17.828 1.00 13.22 H new ATOM 0 HD13 ILE A 104 -0.785 13.248 -18.533 1.00 13.22 H new