USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 828 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 109 HIS : +bothHN:sc= 0.564 K(o=0.6,f=-6.4!) USER MOD Set 1.2: A 111 HIS : no HE2:sc= 0.0385 K(o=0.6,f=-3.2) USER MOD Set 2.1: A 108 HIS : no HD1:sc= 0.104 K(o=0.16,f=-2.6) USER MOD Set 2.2: A 110 HIS : no HE2:sc= 0.0514 K(o=0.16,f=-1.9) USER MOD Set 3.1: A 49 TYR OH : rot -157:sc= 0.921 USER MOD Set 3.2: A 106 HIS : no HE2:sc= 0.0378 K(o=0.96,f=0.46) USER MOD Set 4.1: A 20 MET CE :methyl -143:sc= -0.0309 (180deg=-0.317) USER MOD Set 4.2: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 11 GLN : amide:sc= 0.596 K(o=1.5,f=-0.7) USER MOD Set 5.2: A 19 TYR OH : rot 110:sc= 0.917 USER MOD Set 6.1: A 8 LYS NZ :NH3+ 179:sc= 1.84 (180deg=0.915) USER MOD Set 6.2: A 9 ASN : amide:sc= -0.076 K(o=1.8,f=-6.3!) USER MOD Single : A 1 MET CE :methyl -129:sc= -0.142 (180deg=-0.263) USER MOD Single : A 1 MET N :NH3+ -175:sc= -0.0872 (180deg=-0.216) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 166:sc= -0.0181 (180deg=-0.283) USER MOD Single : A 5 GLN : amide:sc= 0.606 K(o=0.61,f=-1) USER MOD Single : A 6 ASN : amide:sc= -0.0224 K(o=-0.022,f=-1.3!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.195 K(o=-0.2,f=-7!) USER MOD Single : A 17 SER OG : rot 75:sc= 0.717 USER MOD Single : A 21 SER OG : rot -83:sc= 0.258 USER MOD Single : A 22 GLN : amide:sc= 0.0568 K(o=0.057,f=-6.4!) USER MOD Single : A 24 TYR OH : rot 163:sc= 0.773 USER MOD Single : A 32 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.35) USER MOD Single : A 34 THR OG1 : rot 58:sc= 1.21 USER MOD Single : A 35 THR OG1 : rot -8:sc= 0.0961 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -160:sc= -0.0682 USER MOD Single : A 43 TYR OH : rot -100:sc= 1.37 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 55:sc= -0.0315 USER MOD Single : A 54 ASN : amide:sc= -0.405 K(o=-0.4,f=-8.2!) USER MOD Single : A 55 SER OG : rot -46:sc= 0.593 USER MOD Single : A 56 THR OG1 : rot 8:sc= 0.129 USER MOD Single : A 58 SER OG : rot 158:sc= 0.864 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 62 CYS SG : rot -77:sc= -1.95 USER MOD Single : A 66 THR OG1 : rot -170:sc= 0.573 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 144:sc= 1.07 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.252 X(o=-0.25,f=-0.69) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot 160:sc= -0.141 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 174:sc= 0.935 (180deg=0.908) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.208 X(o=-0.21,f=0) USER MOD Single : A 98 MET CE :methyl -177:sc= -0.696 (180deg=-0.7) USER MOD Single : A 107 HIS : no HE2:sc= 0.541 K(o=0.54,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.259 -2.060 0.074 1.00 0.00 N ATOM 2 CA MET A 1 -0.575 -3.373 -0.121 1.00 0.00 C ATOM 3 C MET A 1 -1.548 -4.449 -0.639 1.00 0.00 C ATOM 4 O MET A 1 -1.127 -5.454 -1.213 1.00 0.00 O ATOM 5 CB MET A 1 0.064 -3.838 1.186 1.00 0.00 C ATOM 6 CG MET A 1 1.177 -2.935 1.700 1.00 0.00 C ATOM 7 SD MET A 1 2.515 -2.732 0.508 1.00 0.00 S ATOM 8 CE MET A 1 3.195 -4.388 0.478 1.00 0.00 C ATOM 0 H1 MET A 1 -0.558 -1.340 0.341 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.726 -1.777 -0.811 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.970 -2.148 0.828 1.00 0.00 H new ATOM 0 HA MET A 1 0.201 -3.230 -0.873 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.711 -3.909 1.949 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.464 -4.842 1.043 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.762 -1.957 1.944 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.579 -3.351 2.624 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.273 -4.341 0.632 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.741 -4.982 1.271 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.986 -4.850 -0.487 1.00 0.00 H new ATOM 20 N SER A 2 -2.847 -4.224 -0.444 1.00 0.00 N ATOM 21 CA SER A 2 -3.891 -5.191 -0.835 1.00 0.00 C ATOM 22 C SER A 2 -3.915 -5.469 -2.349 1.00 0.00 C ATOM 23 O SER A 2 -4.469 -6.480 -2.792 1.00 0.00 O ATOM 24 CB SER A 2 -5.248 -4.689 -0.381 1.00 0.00 C ATOM 25 OG SER A 2 -5.632 -3.524 -1.058 1.00 0.00 O ATOM 0 H SER A 2 -3.211 -3.374 -0.014 1.00 0.00 H new ATOM 0 HA SER A 2 -3.653 -6.135 -0.344 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.995 -5.466 -0.545 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.222 -4.493 0.691 1.00 0.00 H new ATOM 0 HG SER A 2 -6.512 -3.235 -0.738 1.00 0.00 H new ATOM 31 N TRP A 3 -3.333 -4.571 -3.143 1.00 0.00 N ATOM 32 CA TRP A 3 -3.200 -4.796 -4.590 1.00 0.00 C ATOM 33 C TRP A 3 -2.489 -6.121 -4.917 1.00 0.00 C ATOM 34 O TRP A 3 -2.733 -6.716 -5.969 1.00 0.00 O ATOM 35 CB TRP A 3 -2.444 -3.631 -5.233 1.00 0.00 C ATOM 36 CG TRP A 3 -1.025 -3.509 -4.766 1.00 0.00 C ATOM 37 CD1 TRP A 3 -0.575 -2.772 -3.712 1.00 0.00 C ATOM 38 CD2 TRP A 3 0.128 -4.142 -5.337 1.00 0.00 C ATOM 39 NE1 TRP A 3 0.787 -2.904 -3.590 1.00 0.00 N ATOM 40 CE2 TRP A 3 1.241 -3.742 -4.576 1.00 0.00 C ATOM 41 CE3 TRP A 3 0.324 -5.008 -6.419 1.00 0.00 C ATOM 42 CZ2 TRP A 3 2.527 -4.174 -4.859 1.00 0.00 C ATOM 43 CZ3 TRP A 3 1.613 -5.443 -6.701 1.00 0.00 C ATOM 44 CH2 TRP A 3 2.683 -5.038 -5.943 1.00 0.00 C ATOM 0 H TRP A 3 -2.947 -3.685 -2.816 1.00 0.00 H new ATOM 0 HA TRP A 3 -4.208 -4.858 -4.999 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -2.452 -3.756 -6.316 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -2.971 -2.702 -5.015 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -1.198 -2.171 -3.066 1.00 0.00 H new ATOM 0 HE1 TRP A 3 1.366 -2.453 -2.882 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -0.511 -5.332 -7.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 3.372 -3.856 -4.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 1.776 -6.113 -7.533 1.00 0.00 H new ATOM 0 HH2 TRP A 3 3.671 -5.397 -6.192 1.00 0.00 H new ATOM 55 N MET A 4 -1.630 -6.592 -4.015 1.00 0.00 N ATOM 56 CA MET A 4 -0.903 -7.848 -4.244 1.00 0.00 C ATOM 57 C MET A 4 -1.896 -9.022 -4.310 1.00 0.00 C ATOM 58 O MET A 4 -1.864 -9.834 -5.242 1.00 0.00 O ATOM 59 CB MET A 4 0.129 -8.077 -3.142 1.00 0.00 C ATOM 60 CG MET A 4 1.305 -7.110 -3.170 1.00 0.00 C ATOM 61 SD MET A 4 2.434 -7.348 -1.783 1.00 0.00 S ATOM 62 CE MET A 4 3.120 -8.955 -2.177 1.00 0.00 C ATOM 0 H MET A 4 -1.419 -6.133 -3.129 1.00 0.00 H new ATOM 0 HA MET A 4 -0.374 -7.782 -5.195 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.367 -7.999 -2.175 1.00 0.00 H new ATOM 0 HB3 MET A 4 0.510 -9.095 -3.223 1.00 0.00 H new ATOM 0 HG2 MET A 4 1.852 -7.236 -4.104 1.00 0.00 H new ATOM 0 HG3 MET A 4 0.929 -6.087 -3.156 1.00 0.00 H new ATOM 0 HE1 MET A 4 4.003 -9.134 -1.564 1.00 0.00 H new ATOM 0 HE2 MET A 4 2.377 -9.727 -1.977 1.00 0.00 H new ATOM 0 HE3 MET A 4 3.398 -8.984 -3.231 1.00 0.00 H new ATOM 72 N GLN A 5 -2.766 -9.113 -3.299 1.00 0.00 N ATOM 73 CA GLN A 5 -3.890 -10.058 -3.318 1.00 0.00 C ATOM 74 C GLN A 5 -4.751 -9.873 -4.575 1.00 0.00 C ATOM 75 O GLN A 5 -5.124 -10.846 -5.223 1.00 0.00 O ATOM 76 CB GLN A 5 -4.775 -9.870 -2.070 1.00 0.00 C ATOM 77 CG GLN A 5 -4.291 -10.626 -0.843 1.00 0.00 C ATOM 78 CD GLN A 5 -5.226 -10.489 0.354 1.00 0.00 C ATOM 79 OE1 GLN A 5 -6.096 -9.626 0.387 1.00 0.00 O ATOM 80 NE2 GLN A 5 -5.071 -11.357 1.335 1.00 0.00 N ATOM 0 H GLN A 5 -2.714 -8.543 -2.455 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.470 -11.064 -3.322 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.826 -8.808 -1.831 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.789 -10.193 -2.305 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.184 -11.681 -1.093 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.302 -10.262 -0.567 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.338 -12.064 1.279 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.684 -11.321 2.149 1.00 0.00 H new ATOM 89 N ASN A 6 -5.038 -8.613 -4.909 1.00 0.00 N ATOM 90 CA ASN A 6 -5.913 -8.264 -6.043 1.00 0.00 C ATOM 91 C ASN A 6 -5.378 -8.796 -7.384 1.00 0.00 C ATOM 92 O ASN A 6 -6.144 -9.039 -8.315 1.00 0.00 O ATOM 93 CB ASN A 6 -6.123 -6.764 -6.131 1.00 0.00 C ATOM 94 CG ASN A 6 -7.023 -6.215 -5.058 1.00 0.00 C ATOM 95 OD1 ASN A 6 -7.806 -6.947 -4.442 1.00 0.00 O ATOM 96 ND2 ASN A 6 -6.974 -4.918 -4.888 1.00 0.00 N ATOM 0 H ASN A 6 -4.674 -7.804 -4.406 1.00 0.00 H new ATOM 0 HA ASN A 6 -6.871 -8.748 -5.852 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.155 -6.266 -6.071 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.546 -6.522 -7.106 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.601 -4.467 -4.222 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -6.309 -4.358 -5.422 1.00 0.00 H new ATOM 103 N LEU A 7 -4.064 -8.972 -7.476 1.00 0.00 N ATOM 104 CA LEU A 7 -3.444 -9.508 -8.693 1.00 0.00 C ATOM 105 C LEU A 7 -3.218 -11.026 -8.578 1.00 0.00 C ATOM 106 O LEU A 7 -3.719 -11.805 -9.387 1.00 0.00 O ATOM 107 CB LEU A 7 -2.118 -8.788 -8.972 1.00 0.00 C ATOM 108 CG LEU A 7 -2.242 -7.291 -9.288 1.00 0.00 C ATOM 109 CD1 LEU A 7 -0.860 -6.684 -9.485 1.00 0.00 C ATOM 110 CD2 LEU A 7 -3.096 -7.104 -10.534 1.00 0.00 C ATOM 0 H LEU A 7 -3.406 -8.754 -6.728 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.123 -9.333 -9.527 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.468 -8.908 -8.105 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.625 -9.280 -9.810 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.723 -6.781 -8.453 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.958 -5.622 -9.709 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.274 -6.811 -8.575 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.357 -7.184 -10.313 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.184 -6.041 -10.759 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.628 -7.615 -11.376 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.088 -7.522 -10.361 1.00 0.00 H new ATOM 122 N LYS A 8 -2.477 -11.428 -7.544 1.00 0.00 N ATOM 123 CA LYS A 8 -1.986 -12.807 -7.395 1.00 0.00 C ATOM 124 C LYS A 8 -3.110 -13.838 -7.080 1.00 0.00 C ATOM 125 O LYS A 8 -2.962 -15.023 -7.380 1.00 0.00 O ATOM 126 CB LYS A 8 -0.920 -12.853 -6.300 1.00 0.00 C ATOM 127 CG LYS A 8 -1.475 -12.874 -4.882 1.00 0.00 C ATOM 128 CD LYS A 8 -0.359 -12.788 -3.850 1.00 0.00 C ATOM 129 CE LYS A 8 -0.904 -12.432 -2.474 1.00 0.00 C ATOM 130 NZ LYS A 8 -1.786 -13.501 -1.932 1.00 0.00 N ATOM 0 H LYS A 8 -2.198 -10.809 -6.783 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.564 -13.096 -8.358 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.302 -13.739 -6.448 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.267 -11.987 -6.409 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.164 -12.040 -4.746 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.047 -13.789 -4.727 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.167 -13.741 -3.800 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.369 -12.038 -4.160 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.074 -12.263 -1.788 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.462 -11.498 -2.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.123 -13.227 -0.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.601 -13.633 -2.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.252 -14.391 -1.865 1.00 0.00 H new ATOM 144 N ASN A 9 -4.223 -13.400 -6.474 1.00 0.00 N ATOM 145 CA ASN A 9 -5.243 -14.336 -5.962 1.00 0.00 C ATOM 146 C ASN A 9 -6.196 -14.796 -7.073 1.00 0.00 C ATOM 147 O ASN A 9 -7.093 -15.606 -6.838 1.00 0.00 O ATOM 148 CB ASN A 9 -6.034 -13.724 -4.821 1.00 0.00 C ATOM 149 CG ASN A 9 -5.263 -13.630 -3.533 1.00 0.00 C ATOM 150 OD1 ASN A 9 -4.177 -14.204 -3.392 1.00 0.00 O ATOM 151 ND2 ASN A 9 -5.857 -12.978 -2.565 1.00 0.00 N ATOM 0 H ASN A 9 -4.442 -12.415 -6.326 1.00 0.00 H new ATOM 0 HA ASN A 9 -4.709 -15.208 -5.585 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.361 -12.726 -5.112 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.932 -14.318 -4.654 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -5.423 -12.927 -1.643 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.753 -12.521 -2.733 1.00 0.00 H new ATOM 158 N TYR A 10 -6.003 -14.264 -8.278 1.00 0.00 N ATOM 159 CA TYR A 10 -6.828 -14.634 -9.432 1.00 0.00 C ATOM 160 C TYR A 10 -6.139 -14.296 -10.759 1.00 0.00 C ATOM 161 O TYR A 10 -5.525 -13.237 -10.906 1.00 0.00 O ATOM 162 CB TYR A 10 -8.188 -13.936 -9.358 1.00 0.00 C ATOM 163 CG TYR A 10 -9.183 -14.419 -10.389 1.00 0.00 C ATOM 164 CD1 TYR A 10 -10.029 -15.485 -10.116 1.00 0.00 C ATOM 165 CD2 TYR A 10 -9.275 -13.808 -11.630 1.00 0.00 C ATOM 166 CE1 TYR A 10 -10.940 -15.930 -11.055 1.00 0.00 C ATOM 167 CE2 TYR A 10 -10.182 -14.246 -12.576 1.00 0.00 C ATOM 168 CZ TYR A 10 -11.013 -15.308 -12.284 1.00 0.00 C ATOM 169 OH TYR A 10 -11.920 -15.746 -13.221 1.00 0.00 O ATOM 0 H TYR A 10 -5.281 -13.573 -8.484 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.972 -15.714 -9.397 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -8.609 -14.086 -8.364 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.042 -12.863 -9.484 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -9.974 -15.974 -9.155 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -8.627 -12.976 -11.861 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -11.592 -16.761 -10.828 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -10.240 -13.760 -13.539 1.00 0.00 H new ATOM 0 HH TYR A 10 -11.843 -15.200 -14.031 1.00 0.00 H new ATOM 179 N GLN A 11 -6.256 -15.200 -11.726 1.00 0.00 N ATOM 180 CA GLN A 11 -5.715 -14.976 -13.066 1.00 0.00 C ATOM 181 C GLN A 11 -6.713 -14.188 -13.931 1.00 0.00 C ATOM 182 O GLN A 11 -7.615 -14.766 -14.544 1.00 0.00 O ATOM 183 CB GLN A 11 -5.379 -16.309 -13.738 1.00 0.00 C ATOM 184 CG GLN A 11 -4.850 -16.175 -15.156 1.00 0.00 C ATOM 185 CD GLN A 11 -3.592 -15.332 -15.227 1.00 0.00 C ATOM 186 OE1 GLN A 11 -2.705 -15.441 -14.376 1.00 0.00 O ATOM 187 NE2 GLN A 11 -3.507 -14.480 -16.243 1.00 0.00 N ATOM 0 H GLN A 11 -6.723 -16.099 -11.608 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.801 -14.390 -12.968 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.638 -16.831 -13.133 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.274 -16.931 -13.753 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.643 -17.166 -15.559 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.619 -15.729 -15.787 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.264 -14.422 -16.925 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.685 -13.884 -16.341 1.00 0.00 H new ATOM 196 N HIS A 12 -6.571 -12.862 -13.966 1.00 0.00 N ATOM 197 CA HIS A 12 -7.465 -12.020 -14.775 1.00 0.00 C ATOM 198 C HIS A 12 -6.708 -11.164 -15.807 1.00 0.00 C ATOM 199 O HIS A 12 -7.299 -10.708 -16.783 1.00 0.00 O ATOM 200 CB HIS A 12 -8.300 -11.111 -13.868 1.00 0.00 C ATOM 201 CG HIS A 12 -7.487 -10.350 -12.867 1.00 0.00 C ATOM 202 ND1 HIS A 12 -6.808 -9.193 -13.187 1.00 0.00 N ATOM 203 CD2 HIS A 12 -7.245 -10.579 -11.555 1.00 0.00 C ATOM 204 CE1 HIS A 12 -6.182 -8.743 -12.112 1.00 0.00 C ATOM 205 NE2 HIS A 12 -6.431 -9.567 -11.110 1.00 0.00 N ATOM 0 H HIS A 12 -5.855 -12.349 -13.451 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.116 -12.697 -15.329 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -8.853 -10.404 -14.487 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.036 -11.717 -13.340 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.622 -11.404 -10.968 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -5.571 -7.854 -12.062 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -6.076 -9.467 -10.159 1.00 0.00 H new ATOM 210 N LEU A 13 -5.411 -10.951 -15.608 1.00 0.00 N ATOM 211 CA LEU A 13 -4.598 -10.270 -16.622 1.00 0.00 C ATOM 212 C LEU A 13 -3.340 -11.088 -16.975 1.00 0.00 C ATOM 213 O LEU A 13 -2.882 -11.902 -16.176 1.00 0.00 O ATOM 214 CB LEU A 13 -4.207 -8.870 -16.132 1.00 0.00 C ATOM 215 CG LEU A 13 -5.373 -7.888 -15.960 1.00 0.00 C ATOM 216 CD1 LEU A 13 -4.888 -6.616 -15.278 1.00 0.00 C ATOM 217 CD2 LEU A 13 -5.976 -7.574 -17.322 1.00 0.00 C ATOM 0 H LEU A 13 -4.903 -11.233 -14.770 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.197 -10.175 -17.528 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.692 -8.968 -15.177 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.494 -8.442 -16.836 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.140 -8.340 -15.331 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.723 -5.925 -15.160 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.480 -6.862 -14.298 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.114 -6.149 -15.887 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.805 -6.876 -17.201 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.216 -7.127 -17.962 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.340 -8.494 -17.780 1.00 0.00 H new ATOM 229 N ARG A 14 -2.801 -10.888 -18.179 1.00 0.00 N ATOM 230 CA ARG A 14 -1.495 -11.456 -18.548 1.00 0.00 C ATOM 231 C ARG A 14 -0.313 -10.706 -17.909 1.00 0.00 C ATOM 232 O ARG A 14 0.838 -10.969 -18.259 1.00 0.00 O ATOM 233 CB ARG A 14 -1.333 -11.547 -20.059 1.00 0.00 C ATOM 234 CG ARG A 14 -2.258 -12.541 -20.743 1.00 0.00 C ATOM 235 CD ARG A 14 -2.107 -12.603 -22.220 1.00 0.00 C ATOM 236 NE ARG A 14 -3.052 -13.483 -22.886 1.00 0.00 N ATOM 237 CZ ARG A 14 -3.060 -13.736 -24.210 1.00 0.00 C ATOM 238 NH1 ARG A 14 -2.203 -13.150 -25.016 1.00 0.00 N ATOM 239 NH2 ARG A 14 -3.970 -14.572 -24.680 1.00 0.00 N ATOM 0 H ARG A 14 -3.244 -10.339 -18.916 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.479 -12.468 -18.142 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.503 -10.560 -20.488 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.302 -11.819 -20.284 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.076 -13.533 -20.329 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.290 -12.281 -20.506 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.218 -11.598 -22.626 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.095 -12.932 -22.456 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.759 -13.942 -22.311 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.518 -12.493 -24.642 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.222 -13.353 -26.016 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.641 -15.005 -24.045 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.002 -14.784 -25.677 1.00 0.00 H new ATOM 253 N ASP A 15 -0.577 -9.800 -16.968 1.00 0.00 N ATOM 254 CA ASP A 15 0.507 -9.030 -16.333 1.00 0.00 C ATOM 255 C ASP A 15 1.355 -9.884 -15.373 1.00 0.00 C ATOM 256 O ASP A 15 0.852 -10.394 -14.377 1.00 0.00 O ATOM 257 CB ASP A 15 -0.071 -7.828 -15.581 1.00 0.00 C ATOM 258 CG ASP A 15 0.976 -6.882 -15.008 1.00 0.00 C ATOM 259 OD1 ASP A 15 2.134 -7.225 -15.031 1.00 0.00 O ATOM 260 OD2 ASP A 15 0.632 -5.767 -14.696 1.00 0.00 O ATOM 0 H ASP A 15 -1.513 -9.579 -16.629 1.00 0.00 H new ATOM 0 HA ASP A 15 1.164 -8.688 -17.132 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.717 -7.268 -16.257 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.699 -8.191 -14.767 1.00 0.00 H new ATOM 265 N PRO A 16 2.679 -10.005 -15.633 1.00 0.00 N ATOM 266 CA PRO A 16 3.595 -10.772 -14.764 1.00 0.00 C ATOM 267 C PRO A 16 3.533 -10.322 -13.296 1.00 0.00 C ATOM 268 O PRO A 16 3.875 -11.079 -12.386 1.00 0.00 O ATOM 269 CB PRO A 16 4.977 -10.522 -15.377 1.00 0.00 C ATOM 270 CG PRO A 16 4.702 -10.256 -16.818 1.00 0.00 C ATOM 271 CD PRO A 16 3.404 -9.494 -16.842 1.00 0.00 C ATOM 0 HA PRO A 16 3.333 -11.829 -14.728 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.474 -9.675 -14.904 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.630 -11.386 -15.250 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.506 -9.677 -17.271 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.622 -11.186 -17.381 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.569 -8.418 -16.787 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.843 -9.684 -17.757 1.00 0.00 H new ATOM 279 N SER A 17 3.091 -9.081 -13.074 1.00 0.00 N ATOM 280 CA SER A 17 2.964 -8.520 -11.721 1.00 0.00 C ATOM 281 C SER A 17 2.128 -9.424 -10.799 1.00 0.00 C ATOM 282 O SER A 17 2.362 -9.473 -9.594 1.00 0.00 O ATOM 283 CB SER A 17 2.351 -7.135 -11.792 1.00 0.00 C ATOM 284 OG SER A 17 3.130 -6.252 -12.551 1.00 0.00 O ATOM 0 H SER A 17 2.813 -8.440 -13.817 1.00 0.00 H new ATOM 0 HA SER A 17 3.965 -8.455 -11.294 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.353 -7.202 -12.226 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.234 -6.739 -10.783 1.00 0.00 H new ATOM 0 HG SER A 17 3.018 -6.453 -13.504 1.00 0.00 H new ATOM 290 N GLU A 18 1.161 -10.143 -11.371 1.00 0.00 N ATOM 291 CA GLU A 18 0.356 -11.103 -10.605 1.00 0.00 C ATOM 292 C GLU A 18 1.268 -12.147 -9.918 1.00 0.00 C ATOM 293 O GLU A 18 1.077 -12.497 -8.747 1.00 0.00 O ATOM 294 CB GLU A 18 -0.660 -11.798 -11.516 1.00 0.00 C ATOM 295 CG GLU A 18 -1.779 -10.894 -12.012 1.00 0.00 C ATOM 296 CD GLU A 18 -2.698 -11.626 -12.951 1.00 0.00 C ATOM 297 OE1 GLU A 18 -2.409 -12.753 -13.274 1.00 0.00 O ATOM 298 OE2 GLU A 18 -3.744 -11.104 -13.255 1.00 0.00 O ATOM 0 H GLU A 18 0.915 -10.081 -12.359 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.188 -10.558 -9.833 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.135 -12.212 -12.377 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.099 -12.637 -10.977 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.349 -10.517 -11.162 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.352 -10.028 -12.519 1.00 0.00 H new ATOM 305 N TYR A 19 2.294 -12.600 -10.638 1.00 0.00 N ATOM 306 CA TYR A 19 3.215 -13.625 -10.127 1.00 0.00 C ATOM 307 C TYR A 19 4.398 -12.985 -9.386 1.00 0.00 C ATOM 308 O TYR A 19 4.950 -13.563 -8.453 1.00 0.00 O ATOM 309 CB TYR A 19 3.747 -14.485 -11.273 1.00 0.00 C ATOM 310 CG TYR A 19 2.669 -15.104 -12.141 1.00 0.00 C ATOM 311 CD1 TYR A 19 2.117 -16.341 -11.829 1.00 0.00 C ATOM 312 CD2 TYR A 19 2.219 -14.461 -13.286 1.00 0.00 C ATOM 313 CE1 TYR A 19 1.157 -16.918 -12.636 1.00 0.00 C ATOM 314 CE2 TYR A 19 1.255 -15.030 -14.093 1.00 0.00 C ATOM 315 CZ TYR A 19 0.729 -16.258 -13.768 1.00 0.00 C ATOM 316 OH TYR A 19 -0.225 -16.832 -14.580 1.00 0.00 O ATOM 0 H TYR A 19 2.512 -12.275 -11.580 1.00 0.00 H new ATOM 0 HA TYR A 19 2.657 -14.250 -9.430 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.395 -13.873 -11.900 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.365 -15.281 -10.858 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.445 -16.860 -10.940 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.631 -13.498 -13.550 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.743 -17.882 -12.382 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.915 -14.512 -14.977 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.063 -16.330 -14.505 1.00 0.00 H new ATOM 326 N MET A 20 4.790 -11.790 -9.813 1.00 0.00 N ATOM 327 CA MET A 20 5.851 -11.040 -9.134 1.00 0.00 C ATOM 328 C MET A 20 5.389 -10.627 -7.725 1.00 0.00 C ATOM 329 O MET A 20 6.197 -10.413 -6.824 1.00 0.00 O ATOM 330 CB MET A 20 6.244 -9.812 -9.953 1.00 0.00 C ATOM 331 CG MET A 20 7.572 -9.186 -9.550 1.00 0.00 C ATOM 332 SD MET A 20 7.993 -7.747 -10.552 1.00 0.00 S ATOM 333 CE MET A 20 8.342 -8.521 -12.129 1.00 0.00 C ATOM 0 H MET A 20 4.393 -11.317 -10.624 1.00 0.00 H new ATOM 0 HA MET A 20 6.727 -11.681 -9.038 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.293 -10.093 -11.005 1.00 0.00 H new ATOM 0 HB3 MET A 20 5.459 -9.061 -9.859 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.528 -8.893 -8.501 1.00 0.00 H new ATOM 0 HG3 MET A 20 8.363 -9.931 -9.640 1.00 0.00 H new ATOM 0 HE1 MET A 20 9.171 -8.004 -12.613 1.00 0.00 H new ATOM 0 HE2 MET A 20 8.609 -9.566 -11.970 1.00 0.00 H new ATOM 0 HE3 MET A 20 7.459 -8.465 -12.765 1.00 0.00 H new ATOM 343 N SER A 21 4.071 -10.511 -7.558 1.00 0.00 N ATOM 344 CA SER A 21 3.465 -10.231 -6.251 1.00 0.00 C ATOM 345 C SER A 21 3.222 -11.530 -5.472 1.00 0.00 C ATOM 346 O SER A 21 3.191 -11.526 -4.243 1.00 0.00 O ATOM 347 CB SER A 21 2.166 -9.468 -6.428 1.00 0.00 C ATOM 348 OG SER A 21 1.192 -10.231 -7.086 1.00 0.00 O ATOM 0 H SER A 21 3.396 -10.607 -8.317 1.00 0.00 H new ATOM 0 HA SER A 21 4.158 -9.616 -5.676 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.789 -9.164 -5.452 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.356 -8.556 -6.995 1.00 0.00 H new ATOM 0 HG SER A 21 1.330 -10.172 -8.054 1.00 0.00 H new ATOM 354 N GLN A 22 3.027 -12.638 -6.201 1.00 0.00 N ATOM 355 CA GLN A 22 2.956 -13.976 -5.585 1.00 0.00 C ATOM 356 C GLN A 22 4.215 -14.270 -4.748 1.00 0.00 C ATOM 357 O GLN A 22 4.133 -14.571 -3.554 1.00 0.00 O ATOM 358 CB GLN A 22 2.787 -15.052 -6.661 1.00 0.00 C ATOM 359 CG GLN A 22 2.757 -16.472 -6.122 1.00 0.00 C ATOM 360 CD GLN A 22 2.807 -17.512 -7.225 1.00 0.00 C ATOM 361 OE1 GLN A 22 2.838 -17.177 -8.413 1.00 0.00 O ATOM 362 NE2 GLN A 22 2.812 -18.783 -6.840 1.00 0.00 N ATOM 0 H GLN A 22 2.916 -12.637 -7.215 1.00 0.00 H new ATOM 0 HA GLN A 22 2.090 -13.992 -4.923 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.862 -14.863 -7.206 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.603 -14.965 -7.378 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.601 -16.620 -5.449 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.851 -16.615 -5.533 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.785 -19.015 -5.847 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.842 -19.527 -7.537 1.00 0.00 H new ATOM 371 N VAL A 23 5.378 -14.187 -5.386 1.00 0.00 N ATOM 372 CA VAL A 23 6.646 -14.505 -4.724 1.00 0.00 C ATOM 373 C VAL A 23 7.514 -13.248 -4.538 1.00 0.00 C ATOM 374 O VAL A 23 7.891 -12.578 -5.499 1.00 0.00 O ATOM 375 CB VAL A 23 7.442 -15.558 -5.515 1.00 0.00 C ATOM 376 CG1 VAL A 23 8.776 -15.839 -4.837 1.00 0.00 C ATOM 377 CG2 VAL A 23 6.638 -16.842 -5.655 1.00 0.00 C ATOM 0 H VAL A 23 5.473 -13.903 -6.361 1.00 0.00 H new ATOM 0 HA VAL A 23 6.395 -14.911 -3.744 1.00 0.00 H new ATOM 0 HB VAL A 23 7.637 -15.162 -6.512 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.325 -16.586 -5.410 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.359 -14.920 -4.786 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.600 -16.213 -3.828 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.217 -17.575 -6.217 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.412 -17.240 -4.666 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.708 -16.633 -6.183 1.00 0.00 H new ATOM 387 N TYR A 24 7.833 -12.946 -3.283 1.00 0.00 N ATOM 388 CA TYR A 24 8.671 -11.788 -2.941 1.00 0.00 C ATOM 389 C TYR A 24 10.142 -12.002 -3.357 1.00 0.00 C ATOM 390 O TYR A 24 10.816 -11.061 -3.784 1.00 0.00 O ATOM 391 CB TYR A 24 8.588 -11.502 -1.439 1.00 0.00 C ATOM 392 CG TYR A 24 9.407 -10.309 -0.996 1.00 0.00 C ATOM 393 CD1 TYR A 24 8.979 -9.015 -1.256 1.00 0.00 C ATOM 394 CD2 TYR A 24 10.604 -10.482 -0.318 1.00 0.00 C ATOM 395 CE1 TYR A 24 9.722 -7.922 -0.854 1.00 0.00 C ATOM 396 CE2 TYR A 24 11.356 -9.397 0.089 1.00 0.00 C ATOM 397 CZ TYR A 24 10.912 -8.118 -0.181 1.00 0.00 C ATOM 398 OH TYR A 24 11.657 -7.034 0.224 1.00 0.00 O ATOM 0 H TYR A 24 7.524 -13.488 -2.476 1.00 0.00 H new ATOM 0 HA TYR A 24 8.290 -10.931 -3.496 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.545 -11.336 -1.168 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.923 -12.383 -0.892 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.049 -8.860 -1.782 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.954 -11.481 -0.105 1.00 0.00 H new ATOM 0 HE1 TYR A 24 9.375 -6.921 -1.065 1.00 0.00 H new ATOM 0 HE2 TYR A 24 12.287 -9.549 0.616 1.00 0.00 H new ATOM 0 HH TYR A 24 12.304 -7.317 0.904 1.00 0.00 H new ATOM 408 N GLY A 25 10.631 -13.236 -3.244 1.00 0.00 N ATOM 409 CA GLY A 25 12.061 -13.499 -3.396 1.00 0.00 C ATOM 410 C GLY A 25 12.491 -13.929 -4.799 1.00 0.00 C ATOM 411 O GLY A 25 12.064 -13.350 -5.800 1.00 0.00 O ATOM 0 H GLY A 25 10.065 -14.062 -3.050 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.612 -12.599 -3.123 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.350 -14.277 -2.689 1.00 0.00 H new ATOM 415 N ASP A 26 13.352 -14.949 -4.859 1.00 0.00 N ATOM 416 CA ASP A 26 14.013 -15.369 -6.101 1.00 0.00 C ATOM 417 C ASP A 26 13.080 -15.309 -7.332 1.00 0.00 C ATOM 418 O ASP A 26 11.998 -15.901 -7.339 1.00 0.00 O ATOM 419 CB ASP A 26 14.568 -16.785 -5.941 1.00 0.00 C ATOM 420 CG ASP A 26 15.751 -16.894 -4.988 1.00 0.00 C ATOM 421 OD1 ASP A 26 16.334 -15.882 -4.680 1.00 0.00 O ATOM 422 OD2 ASP A 26 15.964 -17.956 -4.456 1.00 0.00 O ATOM 0 H ASP A 26 13.612 -15.509 -4.047 1.00 0.00 H new ATOM 0 HA ASP A 26 14.824 -14.663 -6.282 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.770 -17.437 -5.586 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.871 -17.156 -6.920 1.00 0.00 H new ATOM 427 N PRO A 27 13.512 -14.587 -8.395 1.00 0.00 N ATOM 428 CA PRO A 27 12.726 -14.410 -9.636 1.00 0.00 C ATOM 429 C PRO A 27 12.293 -15.726 -10.301 1.00 0.00 C ATOM 430 O PRO A 27 11.193 -15.814 -10.850 1.00 0.00 O ATOM 431 CB PRO A 27 13.669 -13.611 -10.542 1.00 0.00 C ATOM 432 CG PRO A 27 14.536 -12.850 -9.598 1.00 0.00 C ATOM 433 CD PRO A 27 14.768 -13.777 -8.434 1.00 0.00 C ATOM 0 HA PRO A 27 11.778 -13.912 -9.433 1.00 0.00 H new ATOM 0 HB2 PRO A 27 14.259 -14.269 -11.180 1.00 0.00 H new ATOM 0 HB3 PRO A 27 13.115 -12.941 -11.200 1.00 0.00 H new ATOM 0 HG2 PRO A 27 15.477 -12.568 -10.069 1.00 0.00 H new ATOM 0 HG3 PRO A 27 14.052 -11.928 -9.276 1.00 0.00 H new ATOM 0 HD2 PRO A 27 15.648 -14.403 -8.585 1.00 0.00 H new ATOM 0 HD3 PRO A 27 14.923 -13.228 -7.505 1.00 0.00 H new ATOM 441 N LEU A 28 13.160 -16.739 -10.241 1.00 0.00 N ATOM 442 CA LEU A 28 12.946 -18.013 -10.951 1.00 0.00 C ATOM 443 C LEU A 28 11.597 -18.653 -10.574 1.00 0.00 C ATOM 444 O LEU A 28 10.887 -19.173 -11.436 1.00 0.00 O ATOM 445 CB LEU A 28 14.096 -18.983 -10.654 1.00 0.00 C ATOM 446 CG LEU A 28 13.960 -20.372 -11.292 1.00 0.00 C ATOM 447 CD1 LEU A 28 13.872 -20.245 -12.806 1.00 0.00 C ATOM 448 CD2 LEU A 28 15.149 -21.234 -10.891 1.00 0.00 C ATOM 0 H LEU A 28 14.027 -16.706 -9.704 1.00 0.00 H new ATOM 0 HA LEU A 28 12.924 -17.799 -12.020 1.00 0.00 H new ATOM 0 HB2 LEU A 28 15.028 -18.533 -10.997 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.179 -19.103 -9.574 1.00 0.00 H new ATOM 0 HG LEU A 28 13.046 -20.848 -10.937 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.776 -21.236 -13.249 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.003 -19.643 -13.071 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.775 -19.765 -13.184 1.00 0.00 H new ATOM 0 HD21 LEU A 28 15.052 -22.221 -11.344 1.00 0.00 H new ATOM 0 HD22 LEU A 28 16.071 -20.765 -11.235 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.176 -21.334 -9.806 1.00 0.00 H new ATOM 460 N ALA A 29 11.246 -18.582 -9.293 1.00 0.00 N ATOM 461 CA ALA A 29 10.021 -19.203 -8.782 1.00 0.00 C ATOM 462 C ALA A 29 8.764 -18.728 -9.541 1.00 0.00 C ATOM 463 O ALA A 29 8.104 -19.518 -10.220 1.00 0.00 O ATOM 464 CB ALA A 29 9.883 -18.928 -7.289 1.00 0.00 C ATOM 0 H ALA A 29 11.795 -18.098 -8.583 1.00 0.00 H new ATOM 0 HA ALA A 29 10.102 -20.278 -8.946 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.970 -19.393 -6.916 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.742 -19.342 -6.762 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.838 -17.852 -7.120 1.00 0.00 H new ATOM 470 N TYR A 30 8.453 -17.433 -9.447 1.00 0.00 N ATOM 471 CA TYR A 30 7.248 -16.889 -10.089 1.00 0.00 C ATOM 472 C TYR A 30 7.418 -16.737 -11.611 1.00 0.00 C ATOM 473 O TYR A 30 6.435 -16.609 -12.337 1.00 0.00 O ATOM 474 CB TYR A 30 6.887 -15.537 -9.469 1.00 0.00 C ATOM 475 CG TYR A 30 7.793 -14.404 -9.897 1.00 0.00 C ATOM 476 CD1 TYR A 30 7.693 -13.852 -11.165 1.00 0.00 C ATOM 477 CD2 TYR A 30 8.745 -13.889 -9.030 1.00 0.00 C ATOM 478 CE1 TYR A 30 8.517 -12.817 -11.562 1.00 0.00 C ATOM 479 CE2 TYR A 30 9.575 -12.854 -9.415 1.00 0.00 C ATOM 480 CZ TYR A 30 9.459 -12.321 -10.682 1.00 0.00 C ATOM 481 OH TYR A 30 10.283 -11.290 -11.071 1.00 0.00 O ATOM 0 H TYR A 30 9.010 -16.746 -8.939 1.00 0.00 H new ATOM 0 HA TYR A 30 6.440 -17.601 -9.918 1.00 0.00 H new ATOM 0 HB2 TYR A 30 5.860 -15.289 -9.736 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.921 -15.626 -8.383 1.00 0.00 H new ATOM 0 HD1 TYR A 30 6.957 -14.238 -11.855 1.00 0.00 H new ATOM 0 HD2 TYR A 30 8.839 -14.304 -8.037 1.00 0.00 H new ATOM 0 HE1 TYR A 30 8.425 -12.399 -12.553 1.00 0.00 H new ATOM 0 HE2 TYR A 30 10.311 -12.464 -8.727 1.00 0.00 H new ATOM 0 HH TYR A 30 10.887 -11.059 -10.335 1.00 0.00 H new ATOM 491 N LEU A 31 8.663 -16.751 -12.090 1.00 0.00 N ATOM 492 CA LEU A 31 8.931 -16.807 -13.535 1.00 0.00 C ATOM 493 C LEU A 31 8.403 -18.116 -14.146 1.00 0.00 C ATOM 494 O LEU A 31 7.685 -18.105 -15.153 1.00 0.00 O ATOM 495 CB LEU A 31 10.436 -16.663 -13.798 1.00 0.00 C ATOM 496 CG LEU A 31 10.850 -16.743 -15.274 1.00 0.00 C ATOM 497 CD1 LEU A 31 10.201 -15.611 -16.060 1.00 0.00 C ATOM 498 CD2 LEU A 31 12.366 -16.673 -15.382 1.00 0.00 C ATOM 0 H LEU A 31 9.499 -16.725 -11.506 1.00 0.00 H new ATOM 0 HA LEU A 31 8.407 -15.979 -14.012 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.770 -15.707 -13.395 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.962 -17.443 -13.247 1.00 0.00 H new ATOM 0 HG LEU A 31 10.512 -17.690 -15.695 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.501 -15.676 -17.106 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.116 -15.693 -15.987 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.521 -14.653 -15.650 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.659 -16.730 -16.430 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.718 -15.733 -14.957 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.809 -17.506 -14.836 1.00 0.00 H new ATOM 510 N GLN A 32 8.744 -19.244 -13.522 1.00 0.00 N ATOM 511 CA GLN A 32 8.230 -20.543 -13.955 1.00 0.00 C ATOM 512 C GLN A 32 6.713 -20.634 -13.749 1.00 0.00 C ATOM 513 O GLN A 32 6.012 -21.232 -14.561 1.00 0.00 O ATOM 514 CB GLN A 32 8.926 -21.675 -13.195 1.00 0.00 C ATOM 515 CG GLN A 32 10.397 -21.840 -13.536 1.00 0.00 C ATOM 516 CD GLN A 32 10.620 -22.156 -15.003 1.00 0.00 C ATOM 517 OE1 GLN A 32 9.926 -22.995 -15.584 1.00 0.00 O ATOM 518 NE2 GLN A 32 11.593 -21.488 -15.610 1.00 0.00 N ATOM 0 H GLN A 32 9.371 -19.284 -12.719 1.00 0.00 H new ATOM 0 HA GLN A 32 8.440 -20.646 -15.020 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.831 -21.492 -12.125 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.408 -22.611 -13.405 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.931 -20.925 -13.279 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.821 -22.638 -12.927 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.142 -20.803 -15.091 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.792 -21.660 -16.596 1.00 0.00 H new ATOM 527 N GLU A 33 6.207 -20.026 -12.676 1.00 0.00 N ATOM 528 CA GLU A 33 4.758 -19.968 -12.438 1.00 0.00 C ATOM 529 C GLU A 33 4.057 -19.102 -13.505 1.00 0.00 C ATOM 530 O GLU A 33 2.940 -19.402 -13.928 1.00 0.00 O ATOM 531 CB GLU A 33 4.467 -19.424 -11.038 1.00 0.00 C ATOM 532 CG GLU A 33 3.065 -19.719 -10.527 1.00 0.00 C ATOM 533 CD GLU A 33 3.008 -21.046 -9.821 1.00 0.00 C ATOM 534 OE1 GLU A 33 3.274 -22.042 -10.449 1.00 0.00 O ATOM 535 OE2 GLU A 33 2.809 -21.053 -8.629 1.00 0.00 O ATOM 0 H GLU A 33 6.771 -19.568 -11.960 1.00 0.00 H new ATOM 0 HA GLU A 33 4.364 -20.982 -12.509 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.191 -19.845 -10.340 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.619 -18.345 -11.042 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.750 -18.929 -9.846 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.364 -19.718 -11.362 1.00 0.00 H new ATOM 542 N THR A 34 4.730 -18.041 -13.960 1.00 0.00 N ATOM 543 CA THR A 34 4.199 -17.184 -15.039 1.00 0.00 C ATOM 544 C THR A 34 4.030 -17.970 -16.349 1.00 0.00 C ATOM 545 O THR A 34 3.049 -17.790 -17.076 1.00 0.00 O ATOM 546 CB THR A 34 5.112 -15.972 -15.300 1.00 0.00 C ATOM 547 OG1 THR A 34 5.189 -15.165 -14.117 1.00 0.00 O ATOM 548 CG2 THR A 34 4.570 -15.132 -16.447 1.00 0.00 C ATOM 0 H THR A 34 5.641 -17.751 -13.603 1.00 0.00 H new ATOM 0 HA THR A 34 3.224 -16.832 -14.702 1.00 0.00 H new ATOM 0 HB THR A 34 6.105 -16.335 -15.567 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.518 -15.709 -13.371 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.228 -14.280 -16.617 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.521 -15.739 -17.351 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.571 -14.774 -16.196 1.00 0.00 H new ATOM 556 N THR A 35 4.998 -18.831 -16.647 1.00 0.00 N ATOM 557 CA THR A 35 5.014 -19.583 -17.914 1.00 0.00 C ATOM 558 C THR A 35 4.274 -20.934 -17.804 1.00 0.00 C ATOM 559 O THR A 35 3.852 -21.507 -18.816 1.00 0.00 O ATOM 560 CB THR A 35 6.456 -19.843 -18.387 1.00 0.00 C ATOM 561 OG1 THR A 35 7.145 -20.638 -17.414 1.00 0.00 O ATOM 562 CG2 THR A 35 7.198 -18.529 -18.580 1.00 0.00 C ATOM 0 H THR A 35 5.787 -19.031 -16.032 1.00 0.00 H new ATOM 0 HA THR A 35 4.493 -18.961 -18.642 1.00 0.00 H new ATOM 0 HB THR A 35 6.421 -20.372 -19.339 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.588 -20.730 -16.613 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.215 -18.731 -18.914 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.683 -17.927 -19.329 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.228 -17.986 -17.635 1.00 0.00 H new ATOM 570 N LYS A 36 4.095 -21.437 -16.582 1.00 0.00 N ATOM 571 CA LYS A 36 3.496 -22.764 -16.370 1.00 0.00 C ATOM 572 C LYS A 36 2.215 -22.717 -15.504 1.00 0.00 C ATOM 573 O LYS A 36 1.244 -23.424 -15.792 1.00 0.00 O ATOM 574 CB LYS A 36 4.522 -23.700 -15.728 1.00 0.00 C ATOM 575 CG LYS A 36 5.804 -23.873 -16.530 1.00 0.00 C ATOM 576 CD LYS A 36 5.545 -24.616 -17.833 1.00 0.00 C ATOM 577 CE LYS A 36 6.833 -24.826 -18.616 1.00 0.00 C ATOM 578 NZ LYS A 36 6.589 -25.510 -19.915 1.00 0.00 N ATOM 0 H LYS A 36 4.354 -20.951 -15.724 1.00 0.00 H new ATOM 0 HA LYS A 36 3.203 -23.140 -17.350 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.775 -23.318 -14.739 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.063 -24.678 -15.584 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.235 -22.895 -16.746 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.536 -24.420 -15.936 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.086 -25.581 -17.619 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.836 -24.053 -18.440 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.309 -23.862 -18.797 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.528 -25.417 -18.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.491 -25.634 -20.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.159 -26.441 -19.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.946 -24.934 -20.495 1.00 0.00 H new ATOM 592 N PHE A 37 2.237 -21.906 -14.438 1.00 0.00 N ATOM 593 CA PHE A 37 1.134 -21.822 -13.451 1.00 0.00 C ATOM 594 C PHE A 37 1.032 -23.116 -12.606 1.00 0.00 C ATOM 595 O PHE A 37 0.020 -23.378 -11.945 1.00 0.00 O ATOM 596 CB PHE A 37 -0.195 -21.552 -14.159 1.00 0.00 C ATOM 597 CG PHE A 37 -1.265 -21.011 -13.255 1.00 0.00 C ATOM 598 CD1 PHE A 37 -1.336 -19.655 -12.977 1.00 0.00 C ATOM 599 CD2 PHE A 37 -2.201 -21.857 -12.680 1.00 0.00 C ATOM 600 CE1 PHE A 37 -2.320 -19.156 -12.144 1.00 0.00 C ATOM 601 CE2 PHE A 37 -3.187 -21.360 -11.848 1.00 0.00 C ATOM 602 CZ PHE A 37 -3.245 -20.007 -11.580 1.00 0.00 C ATOM 0 H PHE A 37 3.019 -21.285 -14.229 1.00 0.00 H new ATOM 0 HA PHE A 37 1.354 -20.994 -12.777 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.026 -20.844 -14.971 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.549 -22.478 -14.612 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.615 -18.981 -13.416 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.159 -22.917 -12.884 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.364 -18.097 -11.935 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.911 -22.030 -11.408 1.00 0.00 H new ATOM 0 HZ PHE A 37 -4.014 -19.617 -10.930 1.00 0.00 H new ATOM 612 N VAL A 38 2.110 -23.904 -12.606 1.00 0.00 N ATOM 613 CA VAL A 38 2.178 -25.171 -11.861 1.00 0.00 C ATOM 614 C VAL A 38 3.601 -25.425 -11.322 1.00 0.00 C ATOM 615 O VAL A 38 4.524 -24.655 -11.588 1.00 0.00 O ATOM 616 CB VAL A 38 1.749 -26.363 -12.736 1.00 0.00 C ATOM 617 CG1 VAL A 38 0.287 -26.230 -13.136 1.00 0.00 C ATOM 618 CG2 VAL A 38 2.631 -26.462 -13.971 1.00 0.00 C ATOM 0 H VAL A 38 2.962 -23.685 -13.122 1.00 0.00 H new ATOM 0 HA VAL A 38 1.487 -25.081 -11.023 1.00 0.00 H new ATOM 0 HB VAL A 38 1.866 -27.277 -12.154 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.000 -27.081 -13.754 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.334 -26.206 -12.241 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.147 -25.308 -13.700 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.314 -27.310 -14.578 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.544 -25.545 -14.555 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.668 -26.602 -13.667 1.00 0.00 H new ATOM 628 N THR A 39 3.779 -26.513 -10.574 1.00 0.00 N ATOM 629 CA THR A 39 5.093 -26.832 -9.991 1.00 0.00 C ATOM 630 C THR A 39 6.051 -27.494 -11.006 1.00 0.00 C ATOM 631 O THR A 39 6.003 -28.698 -11.253 1.00 0.00 O ATOM 632 CB THR A 39 4.946 -27.761 -8.772 1.00 0.00 C ATOM 633 OG1 THR A 39 6.219 -27.925 -8.137 1.00 0.00 O ATOM 634 CG2 THR A 39 4.416 -29.122 -9.199 1.00 0.00 C ATOM 0 H THR A 39 3.043 -27.185 -10.356 1.00 0.00 H new ATOM 0 HA THR A 39 5.523 -25.878 -9.685 1.00 0.00 H new ATOM 0 HB THR A 39 4.240 -27.311 -8.074 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.206 -28.732 -7.582 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.319 -29.765 -8.324 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.441 -29.001 -9.671 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.108 -29.576 -9.908 1.00 0.00 H new ATOM 642 N GLU A 40 6.907 -26.675 -11.616 1.00 0.00 N ATOM 643 CA GLU A 40 7.895 -27.148 -12.600 1.00 0.00 C ATOM 644 C GLU A 40 9.155 -27.694 -11.904 1.00 0.00 C ATOM 645 O GLU A 40 9.469 -27.303 -10.781 1.00 0.00 O ATOM 646 CB GLU A 40 8.271 -26.022 -13.566 1.00 0.00 C ATOM 647 CG GLU A 40 9.220 -26.441 -14.680 1.00 0.00 C ATOM 648 CD GLU A 40 8.633 -27.549 -15.509 1.00 0.00 C ATOM 649 OE1 GLU A 40 8.517 -28.642 -15.008 1.00 0.00 O ATOM 650 OE2 GLU A 40 8.198 -27.279 -16.604 1.00 0.00 O ATOM 0 H GLU A 40 6.940 -25.670 -11.447 1.00 0.00 H new ATOM 0 HA GLU A 40 7.440 -27.961 -13.166 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.360 -25.623 -14.012 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.730 -25.212 -13.000 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.438 -25.584 -15.317 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.167 -26.768 -14.250 1.00 0.00 H new ATOM 657 N ARG A 41 9.889 -28.590 -12.573 1.00 0.00 N ATOM 658 CA ARG A 41 11.126 -29.141 -12.004 1.00 0.00 C ATOM 659 C ARG A 41 11.966 -28.039 -11.345 1.00 0.00 C ATOM 660 O ARG A 41 12.321 -28.135 -10.175 1.00 0.00 O ATOM 661 CB ARG A 41 11.934 -29.922 -13.030 1.00 0.00 C ATOM 662 CG ARG A 41 13.237 -30.506 -12.508 1.00 0.00 C ATOM 663 CD ARG A 41 13.989 -31.312 -13.504 1.00 0.00 C ATOM 664 NE ARG A 41 15.355 -31.628 -13.116 1.00 0.00 N ATOM 665 CZ ARG A 41 16.164 -32.470 -13.786 1.00 0.00 C ATOM 666 NH1 ARG A 41 15.741 -33.113 -14.853 1.00 0.00 N ATOM 667 NH2 ARG A 41 17.391 -32.654 -13.329 1.00 0.00 N ATOM 0 H ARG A 41 9.652 -28.947 -13.499 1.00 0.00 H new ATOM 0 HA ARG A 41 10.837 -29.852 -11.230 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.317 -30.734 -13.415 1.00 0.00 H new ATOM 0 HB3 ARG A 41 12.158 -29.266 -13.871 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.874 -29.692 -12.162 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.020 -31.131 -11.642 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.450 -32.243 -13.681 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.009 -30.771 -14.450 1.00 0.00 H new ATOM 0 HE ARG A 41 15.726 -31.180 -12.278 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.786 -32.977 -15.185 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.368 -33.747 -15.348 1.00 0.00 H new ATOM 0 HH21 ARG A 41 17.702 -32.164 -12.490 1.00 0.00 H new ATOM 0 HH22 ARG A 41 18.027 -33.286 -13.815 1.00 0.00 H new ATOM 681 N GLU A 42 12.242 -26.974 -12.093 1.00 0.00 N ATOM 682 CA GLU A 42 13.088 -25.877 -11.604 1.00 0.00 C ATOM 683 C GLU A 42 12.410 -25.131 -10.435 1.00 0.00 C ATOM 684 O GLU A 42 13.075 -24.588 -9.555 1.00 0.00 O ATOM 685 CB GLU A 42 13.407 -24.902 -12.740 1.00 0.00 C ATOM 686 CG GLU A 42 14.366 -25.450 -13.787 1.00 0.00 C ATOM 687 CD GLU A 42 14.603 -24.452 -14.887 1.00 0.00 C ATOM 688 OE1 GLU A 42 13.997 -23.408 -14.856 1.00 0.00 O ATOM 689 OE2 GLU A 42 15.470 -24.684 -15.696 1.00 0.00 O ATOM 0 H GLU A 42 11.894 -26.843 -13.043 1.00 0.00 H new ATOM 0 HA GLU A 42 14.019 -26.308 -11.237 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.476 -24.618 -13.231 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.833 -23.994 -12.314 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.315 -25.707 -13.315 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.961 -26.370 -14.209 1.00 0.00 H new ATOM 696 N TYR A 43 11.078 -25.129 -10.444 1.00 0.00 N ATOM 697 CA TYR A 43 10.270 -24.469 -9.408 1.00 0.00 C ATOM 698 C TYR A 43 10.500 -25.090 -8.017 1.00 0.00 C ATOM 699 O TYR A 43 10.380 -24.405 -7.003 1.00 0.00 O ATOM 700 CB TYR A 43 8.791 -24.577 -9.817 1.00 0.00 C ATOM 701 CG TYR A 43 7.799 -23.781 -8.989 1.00 0.00 C ATOM 702 CD1 TYR A 43 7.620 -22.417 -9.202 1.00 0.00 C ATOM 703 CD2 TYR A 43 7.004 -24.405 -8.032 1.00 0.00 C ATOM 704 CE1 TYR A 43 6.680 -21.703 -8.487 1.00 0.00 C ATOM 705 CE2 TYR A 43 6.069 -23.693 -7.307 1.00 0.00 C ATOM 706 CZ TYR A 43 5.909 -22.344 -7.542 1.00 0.00 C ATOM 707 OH TYR A 43 4.964 -21.638 -6.837 1.00 0.00 O ATOM 0 H TYR A 43 10.523 -25.584 -11.169 1.00 0.00 H new ATOM 0 HA TYR A 43 10.568 -23.423 -9.331 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.700 -24.260 -10.856 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.502 -25.627 -9.778 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.226 -21.910 -9.938 1.00 0.00 H new ATOM 0 HD2 TYR A 43 7.120 -25.464 -7.853 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.549 -20.646 -8.667 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.467 -24.190 -6.561 1.00 0.00 H new ATOM 0 HH TYR A 43 5.319 -21.409 -5.953 1.00 0.00 H new ATOM 717 N TYR A 44 10.828 -26.388 -7.966 1.00 0.00 N ATOM 718 CA TYR A 44 11.122 -27.050 -6.679 1.00 0.00 C ATOM 719 C TYR A 44 12.491 -27.763 -6.651 1.00 0.00 C ATOM 720 O TYR A 44 12.855 -28.350 -5.635 1.00 0.00 O ATOM 721 CB TYR A 44 10.017 -28.055 -6.348 1.00 0.00 C ATOM 722 CG TYR A 44 9.929 -29.212 -7.320 1.00 0.00 C ATOM 723 CD1 TYR A 44 10.700 -30.351 -7.144 1.00 0.00 C ATOM 724 CD2 TYR A 44 9.074 -29.161 -8.410 1.00 0.00 C ATOM 725 CE1 TYR A 44 10.624 -31.409 -8.027 1.00 0.00 C ATOM 726 CE2 TYR A 44 8.989 -30.213 -9.301 1.00 0.00 C ATOM 727 CZ TYR A 44 9.766 -31.336 -9.106 1.00 0.00 C ATOM 728 OH TYR A 44 9.684 -32.388 -9.989 1.00 0.00 O ATOM 0 H TYR A 44 10.897 -26.995 -8.783 1.00 0.00 H new ATOM 0 HA TYR A 44 11.163 -26.260 -5.929 1.00 0.00 H new ATOM 0 HB2 TYR A 44 10.185 -28.448 -5.345 1.00 0.00 H new ATOM 0 HB3 TYR A 44 9.059 -27.535 -6.330 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.372 -30.411 -6.301 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.464 -28.284 -8.565 1.00 0.00 H new ATOM 0 HE1 TYR A 44 11.232 -32.289 -7.875 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.318 -30.157 -10.145 1.00 0.00 H new ATOM 0 HH TYR A 44 9.033 -32.176 -10.690 1.00 0.00 H new ATOM 738 N GLU A 45 13.244 -27.710 -7.751 1.00 0.00 N ATOM 739 CA GLU A 45 14.600 -28.295 -7.800 1.00 0.00 C ATOM 740 C GLU A 45 15.646 -27.423 -7.072 1.00 0.00 C ATOM 741 O GLU A 45 16.392 -27.910 -6.221 1.00 0.00 O ATOM 742 CB GLU A 45 15.029 -28.511 -9.252 1.00 0.00 C ATOM 743 CG GLU A 45 16.421 -29.104 -9.416 1.00 0.00 C ATOM 744 CD GLU A 45 16.751 -29.332 -10.865 1.00 0.00 C ATOM 745 OE1 GLU A 45 16.722 -28.387 -11.617 1.00 0.00 O ATOM 746 OE2 GLU A 45 17.143 -30.425 -11.199 1.00 0.00 O ATOM 0 H GLU A 45 12.946 -27.271 -8.622 1.00 0.00 H new ATOM 0 HA GLU A 45 14.553 -29.252 -7.280 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.308 -29.169 -9.737 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.991 -27.556 -9.775 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.158 -28.434 -8.974 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.483 -30.048 -8.874 1.00 0.00 H new ATOM 753 N ASP A 46 15.702 -26.139 -7.415 1.00 0.00 N ATOM 754 CA ASP A 46 16.576 -25.196 -6.704 1.00 0.00 C ATOM 755 C ASP A 46 15.897 -24.616 -5.452 1.00 0.00 C ATOM 756 O ASP A 46 16.505 -23.844 -4.700 1.00 0.00 O ATOM 757 CB ASP A 46 17.004 -24.062 -7.639 1.00 0.00 C ATOM 758 CG ASP A 46 18.000 -24.474 -8.715 1.00 0.00 C ATOM 759 OD1 ASP A 46 18.577 -25.529 -8.588 1.00 0.00 O ATOM 760 OD2 ASP A 46 18.060 -23.815 -9.724 1.00 0.00 O ATOM 0 H ASP A 46 15.160 -25.725 -8.173 1.00 0.00 H new ATOM 0 HA ASP A 46 17.456 -25.750 -6.378 1.00 0.00 H new ATOM 0 HB2 ASP A 46 16.117 -23.651 -8.121 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.443 -23.262 -7.043 1.00 0.00 H new ATOM 765 N PHE A 47 14.645 -24.997 -5.226 1.00 0.00 N ATOM 766 CA PHE A 47 13.858 -24.460 -4.112 1.00 0.00 C ATOM 767 C PHE A 47 13.521 -25.539 -3.064 1.00 0.00 C ATOM 768 O PHE A 47 13.843 -26.716 -3.231 1.00 0.00 O ATOM 769 CB PHE A 47 12.571 -23.822 -4.638 1.00 0.00 C ATOM 770 CG PHE A 47 12.803 -22.636 -5.529 1.00 0.00 C ATOM 771 CD1 PHE A 47 13.031 -22.803 -6.887 1.00 0.00 C ATOM 772 CD2 PHE A 47 12.795 -21.349 -5.011 1.00 0.00 C ATOM 773 CE1 PHE A 47 13.245 -21.711 -7.707 1.00 0.00 C ATOM 774 CE2 PHE A 47 13.007 -20.256 -5.828 1.00 0.00 C ATOM 775 CZ PHE A 47 13.233 -20.438 -7.178 1.00 0.00 C ATOM 0 H PHE A 47 14.148 -25.678 -5.800 1.00 0.00 H new ATOM 0 HA PHE A 47 14.468 -23.703 -3.618 1.00 0.00 H new ATOM 0 HB2 PHE A 47 12.003 -24.572 -5.188 1.00 0.00 H new ATOM 0 HB3 PHE A 47 11.957 -23.514 -3.792 1.00 0.00 H new ATOM 0 HD1 PHE A 47 13.041 -23.797 -7.308 1.00 0.00 H new ATOM 0 HD2 PHE A 47 12.621 -21.200 -3.956 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.422 -21.855 -8.763 1.00 0.00 H new ATOM 0 HE2 PHE A 47 12.996 -19.260 -5.411 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.400 -19.585 -7.818 1.00 0.00 H new ATOM 785 N GLY A 48 12.863 -25.127 -1.984 1.00 0.00 N ATOM 786 CA GLY A 48 12.367 -26.085 -0.998 1.00 0.00 C ATOM 787 C GLY A 48 12.198 -25.491 0.396 1.00 0.00 C ATOM 788 O GLY A 48 11.274 -25.854 1.127 1.00 0.00 O ATOM 0 H GLY A 48 12.662 -24.150 -1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.408 -26.478 -1.336 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.056 -26.928 -0.944 1.00 0.00 H new ATOM 792 N TYR A 49 13.083 -24.573 0.770 1.00 0.00 N ATOM 793 CA TYR A 49 13.034 -23.948 2.102 1.00 0.00 C ATOM 794 C TYR A 49 13.286 -22.435 2.030 1.00 0.00 C ATOM 795 O TYR A 49 14.192 -21.980 1.340 1.00 0.00 O ATOM 796 CB TYR A 49 14.055 -24.601 3.036 1.00 0.00 C ATOM 797 CG TYR A 49 13.848 -26.087 3.227 1.00 0.00 C ATOM 798 CD1 TYR A 49 14.402 -27.004 2.344 1.00 0.00 C ATOM 799 CD2 TYR A 49 13.099 -26.570 4.290 1.00 0.00 C ATOM 800 CE1 TYR A 49 14.215 -28.362 2.514 1.00 0.00 C ATOM 801 CE2 TYR A 49 12.906 -27.926 4.470 1.00 0.00 C ATOM 802 CZ TYR A 49 13.466 -28.820 3.579 1.00 0.00 C ATOM 803 OH TYR A 49 13.277 -30.171 3.754 1.00 0.00 O ATOM 0 H TYR A 49 13.844 -24.241 0.177 1.00 0.00 H new ATOM 0 HA TYR A 49 12.030 -24.104 2.498 1.00 0.00 H new ATOM 0 HB2 TYR A 49 15.056 -24.432 2.639 1.00 0.00 H new ATOM 0 HB3 TYR A 49 14.010 -24.110 4.008 1.00 0.00 H new ATOM 0 HD1 TYR A 49 14.989 -26.649 1.510 1.00 0.00 H new ATOM 0 HD2 TYR A 49 12.659 -25.874 4.989 1.00 0.00 H new ATOM 0 HE1 TYR A 49 14.653 -29.062 1.817 1.00 0.00 H new ATOM 0 HE2 TYR A 49 12.320 -28.285 5.303 1.00 0.00 H new ATOM 0 HH TYR A 49 12.467 -30.322 4.284 1.00 0.00 H new ATOM 813 N GLY A 50 12.479 -21.667 2.761 1.00 0.00 N ATOM 814 CA GLY A 50 12.651 -20.217 2.820 1.00 0.00 C ATOM 815 C GLY A 50 11.319 -19.478 2.761 1.00 0.00 C ATOM 816 O GLY A 50 10.266 -20.110 2.799 1.00 0.00 O ATOM 0 H GLY A 50 11.703 -22.023 3.318 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.172 -19.951 3.740 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.282 -19.893 1.992 1.00 0.00 H new ATOM 820 N GLU A 51 11.366 -18.147 2.655 1.00 0.00 N ATOM 821 CA GLU A 51 10.146 -17.315 2.613 1.00 0.00 C ATOM 822 C GLU A 51 9.061 -17.944 1.731 1.00 0.00 C ATOM 823 O GLU A 51 7.966 -18.248 2.193 1.00 0.00 O ATOM 824 CB GLU A 51 10.474 -15.908 2.109 1.00 0.00 C ATOM 825 CG GLU A 51 11.077 -14.988 3.162 1.00 0.00 C ATOM 826 CD GLU A 51 10.029 -14.485 4.114 1.00 0.00 C ATOM 827 OE1 GLU A 51 9.741 -15.169 5.067 1.00 0.00 O ATOM 828 OE2 GLU A 51 9.595 -13.368 3.954 1.00 0.00 O ATOM 0 H GLU A 51 12.235 -17.616 2.596 1.00 0.00 H new ATOM 0 HA GLU A 51 9.760 -17.252 3.630 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.168 -15.987 1.273 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.562 -15.451 1.724 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.848 -15.523 3.716 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.563 -14.143 2.674 1.00 0.00 H new ATOM 835 N CYS A 52 9.379 -18.128 0.457 1.00 0.00 N ATOM 836 CA CYS A 52 8.568 -18.954 -0.439 1.00 0.00 C ATOM 837 C CYS A 52 9.438 -20.059 -1.051 1.00 0.00 C ATOM 838 O CYS A 52 9.606 -20.131 -2.268 1.00 0.00 O ATOM 839 CB CYS A 52 8.112 -17.961 -1.508 1.00 0.00 C ATOM 840 SG CYS A 52 7.110 -16.592 -0.881 1.00 0.00 S ATOM 0 H CYS A 52 10.199 -17.714 0.014 1.00 0.00 H new ATOM 0 HA CYS A 52 7.734 -19.454 0.054 1.00 0.00 H new ATOM 0 HB2 CYS A 52 8.992 -17.553 -2.006 1.00 0.00 H new ATOM 0 HB3 CYS A 52 7.539 -18.498 -2.264 1.00 0.00 H new ATOM 0 HG CYS A 52 7.750 -15.989 0.077 1.00 0.00 H new ATOM 846 N PHE A 53 10.030 -20.892 -0.186 1.00 0.00 N ATOM 847 CA PHE A 53 10.954 -21.963 -0.617 1.00 0.00 C ATOM 848 C PHE A 53 12.238 -21.402 -1.264 1.00 0.00 C ATOM 849 O PHE A 53 13.037 -22.158 -1.822 1.00 0.00 O ATOM 850 CB PHE A 53 10.262 -22.923 -1.606 1.00 0.00 C ATOM 851 CG PHE A 53 9.120 -23.740 -1.039 1.00 0.00 C ATOM 852 CD1 PHE A 53 8.689 -23.571 0.267 1.00 0.00 C ATOM 853 CD2 PHE A 53 8.469 -24.680 -1.834 1.00 0.00 C ATOM 854 CE1 PHE A 53 7.639 -24.319 0.765 1.00 0.00 C ATOM 855 CE2 PHE A 53 7.422 -25.426 -1.336 1.00 0.00 C ATOM 856 CZ PHE A 53 7.006 -25.244 -0.037 1.00 0.00 C ATOM 0 H PHE A 53 9.888 -20.849 0.823 1.00 0.00 H new ATOM 0 HA PHE A 53 11.237 -22.508 0.284 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.885 -22.340 -2.446 1.00 0.00 H new ATOM 0 HB3 PHE A 53 11.011 -23.607 -2.004 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.178 -22.848 0.902 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.789 -24.827 -2.855 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.314 -24.178 1.785 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.929 -26.153 -1.965 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.184 -25.826 0.354 1.00 0.00 H new ATOM 866 N ASN A 54 12.446 -20.091 -1.166 1.00 0.00 N ATOM 867 CA ASN A 54 13.518 -19.418 -1.909 1.00 0.00 C ATOM 868 C ASN A 54 14.784 -19.210 -1.055 1.00 0.00 C ATOM 869 O ASN A 54 14.817 -19.551 0.127 1.00 0.00 O ATOM 870 CB ASN A 54 13.042 -18.087 -2.464 1.00 0.00 C ATOM 871 CG ASN A 54 12.678 -17.084 -1.403 1.00 0.00 C ATOM 872 OD1 ASN A 54 13.405 -16.899 -0.420 1.00 0.00 O ATOM 873 ND2 ASN A 54 11.520 -16.497 -1.557 1.00 0.00 N ATOM 0 H ASN A 54 11.888 -19.470 -0.580 1.00 0.00 H new ATOM 0 HA ASN A 54 13.783 -20.076 -2.736 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.824 -17.666 -3.096 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.175 -18.259 -3.102 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.177 -15.851 -0.846 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.959 -16.685 -2.388 1.00 0.00 H new ATOM 880 N SER A 55 15.821 -18.632 -1.670 1.00 0.00 N ATOM 881 CA SER A 55 17.073 -18.301 -0.964 1.00 0.00 C ATOM 882 C SER A 55 17.239 -16.778 -0.820 1.00 0.00 C ATOM 883 O SER A 55 18.350 -16.249 -0.880 1.00 0.00 O ATOM 884 CB SER A 55 18.261 -18.895 -1.696 1.00 0.00 C ATOM 885 OG SER A 55 18.366 -18.411 -3.007 1.00 0.00 O ATOM 0 H SER A 55 15.822 -18.381 -2.659 1.00 0.00 H new ATOM 0 HA SER A 55 17.024 -18.732 0.036 1.00 0.00 H new ATOM 0 HB2 SER A 55 19.176 -18.664 -1.150 1.00 0.00 H new ATOM 0 HB3 SER A 55 18.168 -19.981 -1.717 1.00 0.00 H new ATOM 0 HG SER A 55 17.486 -18.437 -3.437 1.00 0.00 H new ATOM 891 N THR A 56 16.114 -16.090 -0.655 1.00 0.00 N ATOM 892 CA THR A 56 16.079 -14.625 -0.530 1.00 0.00 C ATOM 893 C THR A 56 15.903 -14.163 0.928 1.00 0.00 C ATOM 894 O THR A 56 15.103 -14.720 1.679 1.00 0.00 O ATOM 895 CB THR A 56 14.947 -14.023 -1.383 1.00 0.00 C ATOM 896 OG1 THR A 56 15.144 -14.371 -2.759 1.00 0.00 O ATOM 897 CG2 THR A 56 14.923 -12.508 -1.245 1.00 0.00 C ATOM 0 H THR A 56 15.194 -16.528 -0.603 1.00 0.00 H new ATOM 0 HA THR A 56 17.044 -14.268 -0.890 1.00 0.00 H new ATOM 0 HB THR A 56 13.996 -14.425 -1.033 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.883 -15.010 -2.832 1.00 0.00 H new ATOM 0 HG21 THR A 56 14.117 -12.100 -1.855 1.00 0.00 H new ATOM 0 HG22 THR A 56 14.760 -12.240 -0.201 1.00 0.00 H new ATOM 0 HG23 THR A 56 15.875 -12.097 -1.580 1.00 0.00 H new ATOM 905 N GLU A 57 16.658 -13.127 1.316 1.00 0.00 N ATOM 906 CA GLU A 57 16.578 -12.541 2.666 1.00 0.00 C ATOM 907 C GLU A 57 15.131 -12.266 3.133 1.00 0.00 C ATOM 908 O GLU A 57 14.437 -11.401 2.588 1.00 0.00 O ATOM 909 CB GLU A 57 17.389 -11.245 2.716 1.00 0.00 C ATOM 910 CG GLU A 57 17.438 -10.586 4.086 1.00 0.00 C ATOM 911 CD GLU A 57 18.311 -11.360 5.034 1.00 0.00 C ATOM 912 OE1 GLU A 57 18.876 -12.345 4.622 1.00 0.00 O ATOM 913 OE2 GLU A 57 18.505 -10.907 6.137 1.00 0.00 O ATOM 0 H GLU A 57 17.339 -12.671 0.709 1.00 0.00 H new ATOM 0 HA GLU A 57 16.993 -13.281 3.351 1.00 0.00 H new ATOM 0 HB2 GLU A 57 18.408 -11.456 2.391 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.966 -10.539 2.002 1.00 0.00 H new ATOM 0 HG2 GLU A 57 17.816 -9.568 3.989 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.430 -10.514 4.493 1.00 0.00 H new ATOM 920 N SER A 58 14.684 -13.024 4.133 1.00 0.00 N ATOM 921 CA SER A 58 13.353 -12.838 4.725 1.00 0.00 C ATOM 922 C SER A 58 13.153 -11.387 5.204 1.00 0.00 C ATOM 923 O SER A 58 13.740 -10.971 6.207 1.00 0.00 O ATOM 924 CB SER A 58 13.155 -13.807 5.874 1.00 0.00 C ATOM 925 OG SER A 58 11.872 -13.710 6.429 1.00 0.00 O ATOM 0 H SER A 58 15.225 -13.778 4.555 1.00 0.00 H new ATOM 0 HA SER A 58 12.607 -13.041 3.956 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.321 -14.825 5.522 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.899 -13.611 6.646 1.00 0.00 H new ATOM 0 HG SER A 58 11.657 -14.540 6.903 1.00 0.00 H new ATOM 931 N GLU A 59 12.309 -10.623 4.503 1.00 0.00 N ATOM 932 CA GLU A 59 12.018 -9.236 4.911 1.00 0.00 C ATOM 933 C GLU A 59 10.514 -8.966 5.130 1.00 0.00 C ATOM 934 O GLU A 59 10.145 -8.052 5.876 1.00 0.00 O ATOM 935 CB GLU A 59 12.568 -8.262 3.866 1.00 0.00 C ATOM 936 CG GLU A 59 14.087 -8.234 3.770 1.00 0.00 C ATOM 937 CD GLU A 59 14.548 -7.301 2.685 1.00 0.00 C ATOM 938 OE1 GLU A 59 13.714 -6.705 2.046 1.00 0.00 O ATOM 939 OE2 GLU A 59 15.734 -7.096 2.570 1.00 0.00 O ATOM 0 H GLU A 59 11.820 -10.931 3.663 1.00 0.00 H new ATOM 0 HA GLU A 59 12.509 -9.084 5.872 1.00 0.00 H new ATOM 0 HB2 GLU A 59 12.159 -8.526 2.891 1.00 0.00 H new ATOM 0 HB3 GLU A 59 12.212 -7.259 4.100 1.00 0.00 H new ATOM 0 HG2 GLU A 59 14.508 -7.921 4.725 1.00 0.00 H new ATOM 0 HG3 GLU A 59 14.460 -9.239 3.571 1.00 0.00 H new ATOM 946 N VAL A 60 9.649 -9.767 4.509 1.00 0.00 N ATOM 947 CA VAL A 60 8.194 -9.537 4.582 1.00 0.00 C ATOM 948 C VAL A 60 7.452 -10.678 5.324 1.00 0.00 C ATOM 949 O VAL A 60 6.234 -10.632 5.517 1.00 0.00 O ATOM 950 CB VAL A 60 7.588 -9.379 3.175 1.00 0.00 C ATOM 951 CG1 VAL A 60 8.173 -8.162 2.476 1.00 0.00 C ATOM 952 CG2 VAL A 60 7.827 -10.633 2.348 1.00 0.00 C ATOM 0 H VAL A 60 9.921 -10.577 3.952 1.00 0.00 H new ATOM 0 HA VAL A 60 8.060 -8.615 5.148 1.00 0.00 H new ATOM 0 HB VAL A 60 6.513 -9.233 3.278 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.733 -8.066 1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 60 7.953 -7.267 3.058 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.253 -8.279 2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.392 -10.504 1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.899 -10.808 2.254 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.362 -11.487 2.840 1.00 0.00 H new ATOM 962 N GLN A 61 8.219 -11.692 5.747 1.00 0.00 N ATOM 963 CA GLN A 61 7.728 -12.804 6.593 1.00 0.00 C ATOM 964 C GLN A 61 6.709 -13.721 5.884 1.00 0.00 C ATOM 965 O GLN A 61 5.738 -14.175 6.496 1.00 0.00 O ATOM 966 CB GLN A 61 7.093 -12.246 7.870 1.00 0.00 C ATOM 967 CG GLN A 61 8.046 -11.444 8.739 1.00 0.00 C ATOM 968 CD GLN A 61 7.393 -10.959 10.019 1.00 0.00 C ATOM 969 OE1 GLN A 61 6.202 -11.190 10.251 1.00 0.00 O ATOM 970 NE2 GLN A 61 8.167 -10.279 10.857 1.00 0.00 N ATOM 0 H GLN A 61 9.209 -11.770 5.513 1.00 0.00 H new ATOM 0 HA GLN A 61 8.600 -13.415 6.824 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.249 -11.613 7.596 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.694 -13.074 8.456 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.912 -12.058 8.986 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.414 -10.587 8.175 1.00 0.00 H new ATOM 0 HE21 GLN A 61 9.146 -10.111 10.625 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.782 -9.924 11.733 1.00 0.00 H new ATOM 979 N CYS A 62 6.950 -14.032 4.610 1.00 0.00 N ATOM 980 CA CYS A 62 6.121 -15.012 3.891 1.00 0.00 C ATOM 981 C CYS A 62 6.184 -16.391 4.554 1.00 0.00 C ATOM 982 O CYS A 62 5.214 -17.148 4.521 1.00 0.00 O ATOM 983 CB CYS A 62 6.768 -15.053 2.506 1.00 0.00 C ATOM 984 SG CYS A 62 6.498 -13.568 1.509 1.00 0.00 S ATOM 0 H CYS A 62 7.704 -13.627 4.055 1.00 0.00 H new ATOM 0 HA CYS A 62 5.065 -14.744 3.875 1.00 0.00 H new ATOM 0 HB2 CYS A 62 7.841 -15.206 2.624 1.00 0.00 H new ATOM 0 HB3 CYS A 62 6.381 -15.915 1.963 1.00 0.00 H new ATOM 0 HG CYS A 62 5.290 -13.581 1.030 1.00 0.00 H new ATOM 990 N GLU A 63 7.323 -16.708 5.184 1.00 0.00 N ATOM 991 CA GLU A 63 7.471 -17.982 5.910 1.00 0.00 C ATOM 992 C GLU A 63 6.411 -18.128 7.024 1.00 0.00 C ATOM 993 O GLU A 63 6.139 -19.228 7.508 1.00 0.00 O ATOM 994 CB GLU A 63 8.877 -18.095 6.503 1.00 0.00 C ATOM 995 CG GLU A 63 9.180 -17.084 7.601 1.00 0.00 C ATOM 996 CD GLU A 63 10.627 -17.131 8.003 1.00 0.00 C ATOM 997 OE1 GLU A 63 11.077 -18.175 8.410 1.00 0.00 O ATOM 998 OE2 GLU A 63 11.311 -16.157 7.799 1.00 0.00 O ATOM 0 H GLU A 63 8.148 -16.109 5.208 1.00 0.00 H new ATOM 0 HA GLU A 63 7.318 -18.790 5.195 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.009 -19.100 6.905 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.607 -17.973 5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.929 -16.081 7.254 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.553 -17.288 8.469 1.00 0.00 H new ATOM 1005 N LEU A 64 5.834 -17.004 7.433 1.00 0.00 N ATOM 1006 CA LEU A 64 4.742 -16.981 8.406 1.00 0.00 C ATOM 1007 C LEU A 64 3.468 -16.457 7.724 1.00 0.00 C ATOM 1008 O LEU A 64 2.644 -17.236 7.247 1.00 0.00 O ATOM 1009 CB LEU A 64 5.113 -16.115 9.616 1.00 0.00 C ATOM 1010 CG LEU A 64 6.290 -16.632 10.454 1.00 0.00 C ATOM 1011 CD1 LEU A 64 6.661 -15.608 11.518 1.00 0.00 C ATOM 1012 CD2 LEU A 64 5.916 -17.961 11.090 1.00 0.00 C ATOM 0 H LEU A 64 6.109 -16.080 7.100 1.00 0.00 H new ATOM 0 HA LEU A 64 4.561 -17.992 8.770 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.351 -15.111 9.265 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.239 -16.028 10.262 1.00 0.00 H new ATOM 0 HG LEU A 64 7.157 -16.784 9.811 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.497 -15.983 12.108 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.947 -14.672 11.038 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.805 -15.435 12.171 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.752 -18.328 11.685 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.046 -17.825 11.732 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.681 -18.685 10.309 1.00 0.00 H new ATOM 1024 N ILE A 65 3.338 -15.127 7.681 1.00 0.00 N ATOM 1025 CA ILE A 65 2.229 -14.446 6.999 1.00 0.00 C ATOM 1026 C ILE A 65 2.594 -12.978 6.691 1.00 0.00 C ATOM 1027 O ILE A 65 3.219 -12.293 7.502 1.00 0.00 O ATOM 1028 CB ILE A 65 0.939 -14.483 7.838 1.00 0.00 C ATOM 1029 CG1 ILE A 65 -0.246 -13.961 7.022 1.00 0.00 C ATOM 1030 CG2 ILE A 65 1.110 -13.671 9.113 1.00 0.00 C ATOM 1031 CD1 ILE A 65 -1.594 -14.356 7.580 1.00 0.00 C ATOM 0 H ILE A 65 4.001 -14.488 8.120 1.00 0.00 H new ATOM 0 HA ILE A 65 2.052 -14.980 6.065 1.00 0.00 H new ATOM 0 HB ILE A 65 0.736 -15.518 8.114 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.189 -12.874 6.971 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.163 -14.333 6.001 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.189 -13.708 9.694 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.928 -14.087 9.702 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.337 -12.636 8.857 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.383 -13.949 6.948 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.673 -15.443 7.605 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.699 -13.961 8.591 1.00 0.00 H new ATOM 1043 N THR A 66 2.204 -12.500 5.508 1.00 0.00 N ATOM 1044 CA THR A 66 2.568 -11.144 5.053 1.00 0.00 C ATOM 1045 C THR A 66 1.438 -10.127 5.322 1.00 0.00 C ATOM 1046 O THR A 66 1.659 -8.917 5.348 1.00 0.00 O ATOM 1047 CB THR A 66 2.910 -11.129 3.552 1.00 0.00 C ATOM 1048 OG1 THR A 66 1.746 -11.480 2.792 1.00 0.00 O ATOM 1049 CG2 THR A 66 4.025 -12.118 3.249 1.00 0.00 C ATOM 0 H THR A 66 1.636 -13.026 4.844 1.00 0.00 H new ATOM 0 HA THR A 66 3.448 -10.853 5.626 1.00 0.00 H new ATOM 0 HB THR A 66 3.243 -10.127 3.280 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.998 -11.625 1.856 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.253 -12.094 2.183 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.915 -11.848 3.817 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.707 -13.122 3.529 1.00 0.00 H new ATOM 1057 N GLY A 67 0.224 -10.631 5.532 1.00 0.00 N ATOM 1058 CA GLY A 67 -0.974 -9.806 5.413 1.00 0.00 C ATOM 1059 C GLY A 67 -1.691 -9.931 4.067 1.00 0.00 C ATOM 1060 O GLY A 67 -2.874 -9.602 3.952 1.00 0.00 O ATOM 0 H GLY A 67 0.045 -11.603 5.784 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.668 -10.077 6.208 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.700 -8.763 5.571 1.00 0.00 H new ATOM 1064 N GLU A 68 -0.975 -10.421 3.053 1.00 0.00 N ATOM 1065 CA GLU A 68 -1.582 -10.785 1.766 1.00 0.00 C ATOM 1066 C GLU A 68 -1.886 -12.288 1.634 1.00 0.00 C ATOM 1067 O GLU A 68 -2.620 -12.699 0.737 1.00 0.00 O ATOM 1068 CB GLU A 68 -0.669 -10.342 0.621 1.00 0.00 C ATOM 1069 CG GLU A 68 -0.353 -8.854 0.606 1.00 0.00 C ATOM 1070 CD GLU A 68 -1.597 -8.034 0.402 1.00 0.00 C ATOM 1071 OE1 GLU A 68 -2.187 -8.135 -0.647 1.00 0.00 O ATOM 1072 OE2 GLU A 68 -2.020 -7.392 1.335 1.00 0.00 O ATOM 0 H GLU A 68 0.032 -10.576 3.097 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.540 -10.267 1.716 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.266 -10.899 0.683 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.138 -10.611 -0.326 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.122 -8.571 1.546 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.361 -8.640 -0.189 1.00 0.00 H new ATOM 1079 N PHE A 69 -1.312 -13.103 2.518 1.00 0.00 N ATOM 1080 CA PHE A 69 -1.543 -14.559 2.496 1.00 0.00 C ATOM 1081 C PHE A 69 -2.654 -14.996 3.473 1.00 0.00 C ATOM 1082 O PHE A 69 -2.623 -16.110 4.002 1.00 0.00 O ATOM 1083 CB PHE A 69 -0.245 -15.300 2.823 1.00 0.00 C ATOM 1084 CG PHE A 69 0.839 -15.105 1.801 1.00 0.00 C ATOM 1085 CD1 PHE A 69 0.529 -14.707 0.509 1.00 0.00 C ATOM 1086 CD2 PHE A 69 2.168 -15.319 2.128 1.00 0.00 C ATOM 1087 CE1 PHE A 69 1.524 -14.527 -0.432 1.00 0.00 C ATOM 1088 CE2 PHE A 69 3.166 -15.138 1.190 1.00 0.00 C ATOM 1089 CZ PHE A 69 2.843 -14.742 -0.092 1.00 0.00 C ATOM 0 H PHE A 69 -0.685 -12.788 3.258 1.00 0.00 H new ATOM 0 HA PHE A 69 -1.875 -14.816 1.490 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.119 -14.964 3.794 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.459 -16.365 2.914 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.502 -14.536 0.236 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.427 -15.631 3.129 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.269 -14.218 -1.435 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.198 -15.306 1.460 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.621 -14.601 -0.827 1.00 0.00 H new ATOM 1099 N ASP A 70 -3.624 -14.114 3.708 1.00 0.00 N ATOM 1100 CA ASP A 70 -4.710 -14.370 4.664 1.00 0.00 C ATOM 1101 C ASP A 70 -5.669 -15.471 4.140 1.00 0.00 C ATOM 1102 O ASP A 70 -6.353 -15.279 3.133 1.00 0.00 O ATOM 1103 CB ASP A 70 -5.484 -13.079 4.944 1.00 0.00 C ATOM 1104 CG ASP A 70 -6.620 -13.234 5.946 1.00 0.00 C ATOM 1105 OD1 ASP A 70 -6.914 -14.346 6.316 1.00 0.00 O ATOM 1106 OD2 ASP A 70 -7.079 -12.236 6.451 1.00 0.00 O ATOM 0 H ASP A 70 -3.683 -13.206 3.247 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.266 -14.725 5.594 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.789 -12.326 5.314 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.892 -12.703 4.006 1.00 0.00 H new ATOM 1111 N PRO A 71 -5.736 -16.636 4.826 1.00 0.00 N ATOM 1112 CA PRO A 71 -6.663 -17.741 4.468 1.00 0.00 C ATOM 1113 C PRO A 71 -8.153 -17.344 4.320 1.00 0.00 C ATOM 1114 O PRO A 71 -8.895 -17.995 3.580 1.00 0.00 O ATOM 1115 CB PRO A 71 -6.469 -18.739 5.615 1.00 0.00 C ATOM 1116 CG PRO A 71 -5.085 -18.479 6.103 1.00 0.00 C ATOM 1117 CD PRO A 71 -4.901 -16.988 6.004 1.00 0.00 C ATOM 0 HA PRO A 71 -6.428 -18.128 3.476 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -7.204 -18.584 6.405 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.582 -19.767 5.271 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.959 -18.823 7.129 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.349 -19.007 5.497 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.237 -16.477 6.906 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.856 -16.718 5.855 1.00 0.00 H new ATOM 1125 N LYS A 72 -8.599 -16.294 5.012 1.00 0.00 N ATOM 1126 CA LYS A 72 -9.998 -15.844 4.905 1.00 0.00 C ATOM 1127 C LYS A 72 -10.225 -15.044 3.605 1.00 0.00 C ATOM 1128 O LYS A 72 -11.330 -15.023 3.063 1.00 0.00 O ATOM 1129 CB LYS A 72 -10.383 -14.998 6.120 1.00 0.00 C ATOM 1130 CG LYS A 72 -10.444 -15.771 7.430 1.00 0.00 C ATOM 1131 CD LYS A 72 -10.837 -14.867 8.589 1.00 0.00 C ATOM 1132 CE LYS A 72 -10.894 -15.637 9.899 1.00 0.00 C ATOM 1133 NZ LYS A 72 -11.267 -14.762 11.044 1.00 0.00 N ATOM 0 H LYS A 72 -8.023 -15.741 5.647 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.634 -16.729 4.877 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.664 -14.186 6.225 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.355 -14.541 5.936 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.164 -16.585 7.341 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.474 -16.224 7.633 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.119 -14.051 8.676 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.809 -14.416 8.388 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.617 -16.448 9.812 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.924 -16.094 10.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.294 -15.326 11.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.564 -14.003 11.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.204 -14.345 10.872 1.00 0.00 H new ATOM 1147 N LEU A 73 -9.176 -14.379 3.117 1.00 0.00 N ATOM 1148 CA LEU A 73 -9.275 -13.563 1.898 1.00 0.00 C ATOM 1149 C LEU A 73 -8.729 -14.304 0.665 1.00 0.00 C ATOM 1150 O LEU A 73 -8.854 -13.820 -0.461 1.00 0.00 O ATOM 1151 CB LEU A 73 -8.528 -12.237 2.092 1.00 0.00 C ATOM 1152 CG LEU A 73 -9.052 -11.353 3.231 1.00 0.00 C ATOM 1153 CD1 LEU A 73 -8.173 -10.119 3.381 1.00 0.00 C ATOM 1154 CD2 LEU A 73 -10.493 -10.957 2.946 1.00 0.00 C ATOM 0 H LEU A 73 -8.249 -14.387 3.543 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.331 -13.363 1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.476 -12.455 2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.578 -11.671 1.162 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.020 -11.910 4.167 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.553 -9.498 4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.152 -10.425 3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.184 -9.549 2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.865 -10.329 3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.540 -10.405 2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.109 -11.853 2.870 1.00 0.00 H new ATOM 1166 N LEU A 74 -8.125 -15.471 0.875 1.00 0.00 N ATOM 1167 CA LEU A 74 -7.557 -16.257 -0.228 1.00 0.00 C ATOM 1168 C LEU A 74 -8.616 -17.221 -0.801 1.00 0.00 C ATOM 1169 O LEU A 74 -9.054 -18.147 -0.114 1.00 0.00 O ATOM 1170 CB LEU A 74 -6.322 -17.032 0.250 1.00 0.00 C ATOM 1171 CG LEU A 74 -5.740 -18.024 -0.765 1.00 0.00 C ATOM 1172 CD1 LEU A 74 -5.205 -17.276 -1.978 1.00 0.00 C ATOM 1173 CD2 LEU A 74 -4.638 -18.839 -0.105 1.00 0.00 C ATOM 0 H LEU A 74 -8.014 -15.896 1.795 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.249 -15.575 -1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.546 -16.316 0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.583 -17.577 1.157 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.524 -18.702 -1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.794 -17.989 -2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.015 -16.717 -2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.423 -16.585 -1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.225 -19.544 -0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.850 -18.171 0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.049 -19.387 0.743 1.00 0.00 H new ATOM 1185 N PRO A 75 -9.042 -17.013 -2.066 1.00 0.00 N ATOM 1186 CA PRO A 75 -9.888 -17.979 -2.795 1.00 0.00 C ATOM 1187 C PRO A 75 -9.169 -19.302 -3.106 1.00 0.00 C ATOM 1188 O PRO A 75 -7.949 -19.342 -3.270 1.00 0.00 O ATOM 1189 CB PRO A 75 -10.271 -17.229 -4.075 1.00 0.00 C ATOM 1190 CG PRO A 75 -9.125 -16.309 -4.323 1.00 0.00 C ATOM 1191 CD PRO A 75 -8.665 -15.867 -2.960 1.00 0.00 C ATOM 0 HA PRO A 75 -10.749 -18.288 -2.202 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -10.417 -17.915 -4.909 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -11.203 -16.678 -3.949 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -8.325 -16.815 -4.863 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -9.430 -15.457 -4.930 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -7.591 -15.681 -2.941 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.154 -14.942 -2.653 1.00 0.00 H new ATOM 1199 N TYR A 76 -9.928 -20.393 -3.195 1.00 0.00 N ATOM 1200 CA TYR A 76 -9.327 -21.722 -3.335 1.00 0.00 C ATOM 1201 C TYR A 76 -9.808 -22.460 -4.597 1.00 0.00 C ATOM 1202 O TYR A 76 -10.798 -23.190 -4.578 1.00 0.00 O ATOM 1203 CB TYR A 76 -9.629 -22.566 -2.096 1.00 0.00 C ATOM 1204 CG TYR A 76 -9.100 -21.975 -0.807 1.00 0.00 C ATOM 1205 CD1 TYR A 76 -7.749 -22.038 -0.498 1.00 0.00 C ATOM 1206 CD2 TYR A 76 -9.951 -21.356 0.095 1.00 0.00 C ATOM 1207 CE1 TYR A 76 -7.259 -21.500 0.675 1.00 0.00 C ATOM 1208 CE2 TYR A 76 -9.473 -20.814 1.274 1.00 0.00 C ATOM 1209 CZ TYR A 76 -8.125 -20.888 1.559 1.00 0.00 C ATOM 1210 OH TYR A 76 -7.643 -20.352 2.731 1.00 0.00 O ATOM 0 H TYR A 76 -10.948 -20.386 -3.173 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.251 -21.577 -3.435 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.708 -22.694 -2.010 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.200 -23.559 -2.232 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -7.069 -22.516 -1.187 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -11.006 -21.296 -0.127 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -6.204 -21.558 0.900 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.150 -20.336 1.967 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.139 -19.534 2.945 1.00 0.00 H new ATOM 1220 N ASP A 77 -9.103 -22.237 -5.702 1.00 0.00 N ATOM 1221 CA ASP A 77 -9.263 -23.053 -6.911 1.00 0.00 C ATOM 1222 C ASP A 77 -8.286 -24.240 -6.849 1.00 0.00 C ATOM 1223 O ASP A 77 -7.409 -24.264 -5.993 1.00 0.00 O ATOM 1224 CB ASP A 77 -9.025 -22.220 -8.172 1.00 0.00 C ATOM 1225 CG ASP A 77 -9.690 -22.772 -9.426 1.00 0.00 C ATOM 1226 OD1 ASP A 77 -10.227 -23.852 -9.363 1.00 0.00 O ATOM 1227 OD2 ASP A 77 -9.792 -22.048 -10.387 1.00 0.00 O ATOM 0 H ASP A 77 -8.410 -21.494 -5.789 1.00 0.00 H new ATOM 0 HA ASP A 77 -10.286 -23.427 -6.956 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.389 -21.208 -7.998 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.952 -22.147 -8.347 1.00 0.00 H new ATOM 1232 N LYS A 78 -8.421 -25.205 -7.756 1.00 0.00 N ATOM 1233 CA LYS A 78 -7.584 -26.416 -7.724 1.00 0.00 C ATOM 1234 C LYS A 78 -6.080 -26.069 -7.815 1.00 0.00 C ATOM 1235 O LYS A 78 -5.313 -26.283 -6.865 1.00 0.00 O ATOM 1236 CB LYS A 78 -7.976 -27.362 -8.860 1.00 0.00 C ATOM 1237 CG LYS A 78 -7.186 -28.664 -8.894 1.00 0.00 C ATOM 1238 CD LYS A 78 -7.659 -29.568 -10.023 1.00 0.00 C ATOM 1239 CE LYS A 78 -6.852 -30.857 -10.076 1.00 0.00 C ATOM 1240 NZ LYS A 78 -7.302 -31.750 -11.179 1.00 0.00 N ATOM 0 H LYS A 78 -9.096 -25.179 -8.520 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.756 -26.913 -6.769 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.037 -27.597 -8.772 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.842 -26.845 -9.810 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.126 -28.445 -9.020 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.293 -29.182 -7.941 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.714 -29.803 -9.885 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.571 -29.042 -10.974 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.797 -30.619 -10.209 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.943 -31.381 -9.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.727 -32.617 -11.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.302 -31.998 -11.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.192 -31.260 -12.090 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.675 -25.489 -8.945 1.00 0.00 N ATOM 1255 CA ARG A 79 -4.266 -25.147 -9.176 1.00 0.00 C ATOM 1256 C ARG A 79 -3.835 -23.935 -8.342 1.00 0.00 C ATOM 1257 O ARG A 79 -2.705 -23.881 -7.846 1.00 0.00 O ATOM 1258 CB ARG A 79 -3.963 -24.939 -10.652 1.00 0.00 C ATOM 1259 CG ARG A 79 -3.959 -26.210 -11.489 1.00 0.00 C ATOM 1260 CD ARG A 79 -3.695 -25.990 -12.935 1.00 0.00 C ATOM 1261 NE ARG A 79 -3.643 -27.206 -13.729 1.00 0.00 N ATOM 1262 CZ ARG A 79 -3.512 -27.240 -15.069 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -3.456 -26.130 -15.772 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -3.464 -28.419 -15.663 1.00 0.00 N ATOM 0 H ARG A 79 -6.299 -25.246 -9.715 1.00 0.00 H new ATOM 0 HA ARG A 79 -3.676 -26.002 -8.845 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.700 -24.251 -11.066 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.990 -24.457 -10.744 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -3.204 -26.889 -11.093 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -4.923 -26.706 -11.379 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.472 -25.340 -13.339 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.749 -25.460 -13.042 1.00 0.00 H new ATOM 0 HE ARG A 79 -3.710 -28.097 -13.237 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.512 -25.226 -15.303 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -3.357 -26.173 -16.786 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.526 -29.273 -15.108 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.365 -28.476 -16.677 1.00 0.00 H new ATOM 1278 N LEU A 80 -4.735 -22.963 -8.201 1.00 0.00 N ATOM 1279 CA LEU A 80 -4.466 -21.751 -7.414 1.00 0.00 C ATOM 1280 C LEU A 80 -4.108 -22.099 -5.957 1.00 0.00 C ATOM 1281 O LEU A 80 -2.999 -21.817 -5.493 1.00 0.00 O ATOM 1282 CB LEU A 80 -5.678 -20.813 -7.457 1.00 0.00 C ATOM 1283 CG LEU A 80 -5.539 -19.527 -6.633 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -4.455 -18.639 -7.231 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -6.874 -18.798 -6.597 1.00 0.00 C ATOM 0 H LEU A 80 -5.663 -22.988 -8.623 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.609 -21.244 -7.857 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.870 -20.541 -8.495 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.553 -21.359 -7.103 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.250 -19.779 -5.613 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.363 -17.728 -6.639 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.504 -19.172 -7.226 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.721 -18.381 -8.256 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.774 -17.884 -6.011 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.179 -18.546 -7.613 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.627 -19.441 -6.141 1.00 0.00 H new ATOM 1297 N ALA A 81 -5.044 -22.744 -5.259 1.00 0.00 N ATOM 1298 CA ALA A 81 -4.841 -23.126 -3.858 1.00 0.00 C ATOM 1299 C ALA A 81 -3.625 -24.036 -3.679 1.00 0.00 C ATOM 1300 O ALA A 81 -2.762 -23.749 -2.854 1.00 0.00 O ATOM 1301 CB ALA A 81 -6.086 -23.801 -3.295 1.00 0.00 C ATOM 0 H ALA A 81 -5.951 -23.014 -5.640 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.652 -22.207 -3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.912 -24.076 -2.255 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.930 -23.114 -3.353 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.308 -24.697 -3.875 1.00 0.00 H new ATOM 1307 N TRP A 82 -3.544 -25.119 -4.463 1.00 0.00 N ATOM 1308 CA TRP A 82 -2.461 -26.097 -4.287 1.00 0.00 C ATOM 1309 C TRP A 82 -1.080 -25.442 -4.420 1.00 0.00 C ATOM 1310 O TRP A 82 -0.295 -25.451 -3.482 1.00 0.00 O ATOM 1311 CB TRP A 82 -2.600 -27.232 -5.303 1.00 0.00 C ATOM 1312 CG TRP A 82 -1.516 -28.262 -5.202 1.00 0.00 C ATOM 1313 CD1 TRP A 82 -0.623 -28.407 -4.184 1.00 0.00 C ATOM 1314 CD2 TRP A 82 -1.212 -29.289 -6.154 1.00 0.00 C ATOM 1315 NE1 TRP A 82 0.221 -29.460 -4.440 1.00 0.00 N ATOM 1316 CE2 TRP A 82 -0.123 -30.019 -5.646 1.00 0.00 C ATOM 1317 CE3 TRP A 82 -1.759 -29.662 -7.388 1.00 0.00 C ATOM 1318 CZ2 TRP A 82 0.432 -31.093 -6.323 1.00 0.00 C ATOM 1319 CZ3 TRP A 82 -1.204 -30.741 -8.066 1.00 0.00 C ATOM 1320 CH2 TRP A 82 -0.141 -31.436 -7.548 1.00 0.00 C ATOM 0 H TRP A 82 -4.201 -25.338 -5.212 1.00 0.00 H new ATOM 0 HA TRP A 82 -2.545 -26.503 -3.279 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -3.566 -27.718 -5.163 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -2.598 -26.811 -6.308 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -0.584 -27.784 -3.303 1.00 0.00 H new ATOM 0 HE1 TRP A 82 0.979 -29.775 -3.834 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -2.596 -29.122 -7.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 1.271 -31.641 -5.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -1.618 -31.038 -9.019 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.263 -32.270 -8.103 1.00 0.00 H new ATOM 1331 N HIS A 83 -0.803 -24.850 -5.578 1.00 0.00 N ATOM 1332 CA HIS A 83 0.552 -24.380 -5.895 1.00 0.00 C ATOM 1333 C HIS A 83 0.896 -23.081 -5.156 1.00 0.00 C ATOM 1334 O HIS A 83 1.939 -22.988 -4.518 1.00 0.00 O ATOM 1335 CB HIS A 83 0.708 -24.172 -7.405 1.00 0.00 C ATOM 1336 CG HIS A 83 0.512 -25.422 -8.207 1.00 0.00 C ATOM 1337 ND1 HIS A 83 1.330 -26.524 -8.080 1.00 0.00 N ATOM 1338 CD2 HIS A 83 -0.409 -25.743 -9.147 1.00 0.00 C ATOM 1339 CE1 HIS A 83 0.921 -27.470 -8.907 1.00 0.00 C ATOM 1340 NE2 HIS A 83 -0.132 -27.021 -9.565 1.00 0.00 N ATOM 0 H HIS A 83 -1.491 -24.683 -6.312 1.00 0.00 H new ATOM 0 HA HIS A 83 1.246 -25.151 -5.560 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -0.010 -23.422 -7.736 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.702 -23.773 -7.607 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.211 -25.112 -9.501 1.00 0.00 H new ATOM 0 HE1 HIS A 83 1.371 -28.445 -9.025 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -0.655 -27.540 -10.270 1.00 0.00 H new ATOM 1345 N PHE A 84 0.015 -22.090 -5.222 1.00 0.00 N ATOM 1346 CA PHE A 84 0.287 -20.787 -4.604 1.00 0.00 C ATOM 1347 C PHE A 84 0.420 -20.885 -3.067 1.00 0.00 C ATOM 1348 O PHE A 84 1.369 -20.360 -2.483 1.00 0.00 O ATOM 1349 CB PHE A 84 -0.800 -19.780 -5.002 1.00 0.00 C ATOM 1350 CG PHE A 84 -0.723 -19.341 -6.452 1.00 0.00 C ATOM 1351 CD1 PHE A 84 -0.804 -20.267 -7.489 1.00 0.00 C ATOM 1352 CD2 PHE A 84 -0.574 -17.998 -6.778 1.00 0.00 C ATOM 1353 CE1 PHE A 84 -0.739 -19.862 -8.808 1.00 0.00 C ATOM 1354 CE2 PHE A 84 -0.508 -17.590 -8.098 1.00 0.00 C ATOM 1355 CZ PHE A 84 -0.591 -18.523 -9.113 1.00 0.00 C ATOM 0 H PHE A 84 -0.888 -22.157 -5.692 1.00 0.00 H new ATOM 0 HA PHE A 84 1.249 -20.436 -4.978 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -1.779 -20.223 -4.817 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.722 -18.902 -4.361 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.919 -21.316 -7.259 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.509 -17.263 -5.990 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.804 -20.592 -9.601 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.392 -16.543 -8.335 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.540 -18.206 -10.144 1.00 0.00 H new ATOM 1365 N LYS A 85 -0.520 -21.568 -2.411 1.00 0.00 N ATOM 1366 CA LYS A 85 -0.524 -21.656 -0.939 1.00 0.00 C ATOM 1367 C LYS A 85 0.656 -22.502 -0.416 1.00 0.00 C ATOM 1368 O LYS A 85 1.373 -22.086 0.494 1.00 0.00 O ATOM 1369 CB LYS A 85 -1.847 -22.240 -0.445 1.00 0.00 C ATOM 1370 CG LYS A 85 -2.001 -22.257 1.070 1.00 0.00 C ATOM 1371 CD LYS A 85 -3.343 -22.843 1.485 1.00 0.00 C ATOM 1372 CE LYS A 85 -3.467 -22.926 2.999 1.00 0.00 C ATOM 1373 NZ LYS A 85 -4.701 -23.648 3.416 1.00 0.00 N ATOM 0 H LYS A 85 -1.285 -22.066 -2.866 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.410 -20.645 -0.549 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -2.667 -21.665 -0.875 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -1.942 -23.259 -0.819 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.194 -22.841 1.513 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.910 -21.243 1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.150 -22.228 1.085 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.457 -23.838 1.054 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.593 -23.434 3.408 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.476 -21.920 3.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.749 -23.683 4.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.536 -23.149 3.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.681 -24.616 3.037 1.00 0.00 H new ATOM 1387 N GLU A 86 0.850 -23.677 -1.003 1.00 0.00 N ATOM 1388 CA GLU A 86 1.851 -24.649 -0.528 1.00 0.00 C ATOM 1389 C GLU A 86 3.288 -24.137 -0.728 1.00 0.00 C ATOM 1390 O GLU A 86 4.190 -24.473 0.039 1.00 0.00 O ATOM 1391 CB GLU A 86 1.670 -25.989 -1.244 1.00 0.00 C ATOM 1392 CG GLU A 86 0.412 -26.750 -0.847 1.00 0.00 C ATOM 1393 CD GLU A 86 0.410 -27.074 0.621 1.00 0.00 C ATOM 1394 OE1 GLU A 86 1.356 -27.667 1.080 1.00 0.00 O ATOM 1395 OE2 GLU A 86 -0.482 -26.631 1.304 1.00 0.00 O ATOM 0 H GLU A 86 0.325 -23.990 -1.819 1.00 0.00 H new ATOM 0 HA GLU A 86 1.692 -24.784 0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.649 -25.812 -2.319 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.538 -26.616 -1.041 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.468 -26.155 -1.091 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.344 -27.672 -1.425 1.00 0.00 H new ATOM 1402 N PHE A 87 3.490 -23.318 -1.755 1.00 0.00 N ATOM 1403 CA PHE A 87 4.805 -22.731 -2.038 1.00 0.00 C ATOM 1404 C PHE A 87 5.087 -21.509 -1.147 1.00 0.00 C ATOM 1405 O PHE A 87 6.133 -21.429 -0.504 1.00 0.00 O ATOM 1406 CB PHE A 87 4.880 -22.331 -3.518 1.00 0.00 C ATOM 1407 CG PHE A 87 6.260 -21.955 -4.002 1.00 0.00 C ATOM 1408 CD1 PHE A 87 7.206 -22.935 -4.267 1.00 0.00 C ATOM 1409 CD2 PHE A 87 6.606 -20.626 -4.211 1.00 0.00 C ATOM 1410 CE1 PHE A 87 8.466 -22.599 -4.726 1.00 0.00 C ATOM 1411 CE2 PHE A 87 7.863 -20.288 -4.674 1.00 0.00 C ATOM 1412 CZ PHE A 87 8.793 -21.275 -4.929 1.00 0.00 C ATOM 0 H PHE A 87 2.759 -23.042 -2.411 1.00 0.00 H new ATOM 0 HA PHE A 87 5.565 -23.481 -1.818 1.00 0.00 H new ATOM 0 HB2 PHE A 87 4.511 -23.159 -4.123 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.209 -21.489 -3.687 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.955 -23.974 -4.113 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.884 -19.848 -4.009 1.00 0.00 H new ATOM 0 HE1 PHE A 87 9.193 -23.372 -4.925 1.00 0.00 H new ATOM 0 HE2 PHE A 87 8.118 -19.251 -4.836 1.00 0.00 H new ATOM 0 HZ PHE A 87 9.777 -21.010 -5.288 1.00 0.00 H new ATOM 1422 N CYS A 88 4.148 -20.558 -1.113 1.00 0.00 N ATOM 1423 CA CYS A 88 4.402 -19.236 -0.513 1.00 0.00 C ATOM 1424 C CYS A 88 4.033 -19.166 0.979 1.00 0.00 C ATOM 1425 O CYS A 88 4.750 -18.566 1.777 1.00 0.00 O ATOM 1426 CB CYS A 88 3.482 -18.327 -1.329 1.00 0.00 C ATOM 1427 SG CYS A 88 3.885 -18.240 -3.090 1.00 0.00 S ATOM 0 H CYS A 88 3.208 -20.674 -1.491 1.00 0.00 H new ATOM 0 HA CYS A 88 5.458 -18.968 -0.543 1.00 0.00 H new ATOM 0 HB2 CYS A 88 2.456 -18.678 -1.221 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.521 -17.321 -0.910 1.00 0.00 H new ATOM 0 HG CYS A 88 2.849 -17.819 -3.752 1.00 0.00 H new ATOM 1433 N TYR A 89 2.915 -19.790 1.358 1.00 0.00 N ATOM 1434 CA TYR A 89 2.344 -19.614 2.709 1.00 0.00 C ATOM 1435 C TYR A 89 2.613 -20.828 3.620 1.00 0.00 C ATOM 1436 O TYR A 89 2.138 -20.894 4.755 1.00 0.00 O ATOM 1437 CB TYR A 89 0.831 -19.341 2.595 1.00 0.00 C ATOM 1438 CG TYR A 89 0.141 -19.058 3.921 1.00 0.00 C ATOM 1439 CD1 TYR A 89 0.524 -17.975 4.705 1.00 0.00 C ATOM 1440 CD2 TYR A 89 -0.895 -19.867 4.386 1.00 0.00 C ATOM 1441 CE1 TYR A 89 -0.097 -17.706 5.910 1.00 0.00 C ATOM 1442 CE2 TYR A 89 -1.520 -19.603 5.592 1.00 0.00 C ATOM 1443 CZ TYR A 89 -1.118 -18.522 6.348 1.00 0.00 C ATOM 1444 OH TYR A 89 -1.741 -18.253 7.549 1.00 0.00 O ATOM 0 H TYR A 89 2.384 -20.420 0.757 1.00 0.00 H new ATOM 0 HA TYR A 89 2.836 -18.760 3.174 1.00 0.00 H new ATOM 0 HB2 TYR A 89 0.677 -18.491 1.931 1.00 0.00 H new ATOM 0 HB3 TYR A 89 0.353 -20.202 2.127 1.00 0.00 H new ATOM 0 HD1 TYR A 89 1.322 -17.332 4.366 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -1.215 -20.713 3.796 1.00 0.00 H new ATOM 0 HE1 TYR A 89 0.216 -16.861 6.505 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -2.319 -20.241 5.940 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.439 -18.921 7.712 1.00 0.00 H new ATOM 1454 N LYS A 90 3.395 -21.785 3.130 1.00 0.00 N ATOM 1455 CA LYS A 90 3.812 -22.927 3.950 1.00 0.00 C ATOM 1456 C LYS A 90 4.605 -22.481 5.188 1.00 0.00 C ATOM 1457 O LYS A 90 5.731 -22.004 5.088 1.00 0.00 O ATOM 1458 CB LYS A 90 4.646 -23.901 3.116 1.00 0.00 C ATOM 1459 CG LYS A 90 4.657 -25.330 3.642 1.00 0.00 C ATOM 1460 CD LYS A 90 3.283 -25.972 3.529 1.00 0.00 C ATOM 1461 CE LYS A 90 3.304 -27.415 4.012 1.00 0.00 C ATOM 1462 NZ LYS A 90 1.973 -28.066 3.879 1.00 0.00 N ATOM 0 H LYS A 90 3.753 -21.797 2.175 1.00 0.00 H new ATOM 0 HA LYS A 90 2.909 -23.429 4.297 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.264 -23.905 2.095 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.672 -23.535 3.071 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.383 -25.920 3.083 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.978 -25.334 4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.563 -25.401 4.115 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.948 -25.938 2.492 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.042 -27.978 3.440 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.619 -27.444 5.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.054 -29.074 4.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.296 -27.608 4.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.637 -27.972 2.899 1.00 0.00 H new ATOM 1476 N THR A 91 4.009 -22.640 6.366 1.00 0.00 N ATOM 1477 CA THR A 91 4.703 -22.333 7.628 1.00 0.00 C ATOM 1478 C THR A 91 5.507 -23.532 8.164 1.00 0.00 C ATOM 1479 O THR A 91 6.365 -23.383 9.037 1.00 0.00 O ATOM 1480 CB THR A 91 3.709 -21.879 8.711 1.00 0.00 C ATOM 1481 OG1 THR A 91 2.779 -22.936 8.984 1.00 0.00 O ATOM 1482 CG2 THR A 91 2.947 -20.644 8.253 1.00 0.00 C ATOM 0 H THR A 91 3.053 -22.977 6.481 1.00 0.00 H new ATOM 0 HA THR A 91 5.398 -21.525 7.400 1.00 0.00 H new ATOM 0 HB THR A 91 4.267 -21.634 9.615 1.00 0.00 H new ATOM 0 HG1 THR A 91 2.148 -22.646 9.675 1.00 0.00 H new ATOM 0 HG21 THR A 91 2.249 -20.338 9.032 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.650 -19.834 8.057 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.395 -20.874 7.341 1.00 0.00 H new ATOM 1490 N SER A 92 5.233 -24.718 7.629 1.00 0.00 N ATOM 1491 CA SER A 92 5.954 -25.938 8.020 1.00 0.00 C ATOM 1492 C SER A 92 7.196 -26.162 7.146 1.00 0.00 C ATOM 1493 O SER A 92 7.242 -25.742 5.985 1.00 0.00 O ATOM 1494 CB SER A 92 5.030 -27.137 7.938 1.00 0.00 C ATOM 1495 OG SER A 92 3.984 -27.060 8.867 1.00 0.00 O ATOM 0 H SER A 92 4.515 -24.866 6.920 1.00 0.00 H new ATOM 0 HA SER A 92 6.291 -25.814 9.049 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.616 -27.207 6.932 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.603 -28.048 8.112 1.00 0.00 H new ATOM 0 HG SER A 92 3.411 -27.850 8.780 1.00 0.00 H new ATOM 1501 N ALA A 93 8.207 -26.809 7.721 1.00 0.00 N ATOM 1502 CA ALA A 93 9.459 -27.109 7.014 1.00 0.00 C ATOM 1503 C ALA A 93 10.006 -28.478 7.444 1.00 0.00 C ATOM 1504 O ALA A 93 10.970 -28.566 8.208 1.00 0.00 O ATOM 1505 CB ALA A 93 10.488 -26.009 7.260 1.00 0.00 C ATOM 0 H ALA A 93 8.186 -27.141 8.685 1.00 0.00 H new ATOM 0 HA ALA A 93 9.253 -27.148 5.944 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.409 -26.247 6.729 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.097 -25.058 6.899 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.693 -25.935 8.328 1.00 0.00 H new ATOM 1511 N HIS A 94 9.377 -29.540 6.953 1.00 0.00 N ATOM 1512 CA HIS A 94 9.728 -30.918 7.327 1.00 0.00 C ATOM 1513 C HIS A 94 10.503 -31.622 6.190 1.00 0.00 C ATOM 1514 O HIS A 94 11.020 -30.959 5.294 1.00 0.00 O ATOM 1515 CB HIS A 94 8.469 -31.718 7.681 1.00 0.00 C ATOM 1516 CG HIS A 94 7.673 -31.123 8.801 1.00 0.00 C ATOM 1517 ND1 HIS A 94 8.132 -31.085 10.100 1.00 0.00 N ATOM 1518 CD2 HIS A 94 6.449 -30.542 8.816 1.00 0.00 C ATOM 1519 CE1 HIS A 94 7.224 -30.506 10.867 1.00 0.00 C ATOM 1520 NE2 HIS A 94 6.195 -30.168 10.112 1.00 0.00 N ATOM 0 H HIS A 94 8.609 -29.477 6.285 1.00 0.00 H new ATOM 0 HA HIS A 94 10.373 -30.872 8.204 1.00 0.00 H new ATOM 0 HB2 HIS A 94 7.836 -31.793 6.797 1.00 0.00 H new ATOM 0 HB3 HIS A 94 8.759 -32.733 7.952 1.00 0.00 H new ATOM 0 HD2 HIS A 94 5.796 -30.400 7.968 1.00 0.00 H new ATOM 0 HE1 HIS A 94 7.309 -30.338 11.930 1.00 0.00 H new ATOM 0 HE2 HIS A 94 5.348 -29.704 10.439 1.00 0.00 H new ATOM 1525 N GLY A 95 10.617 -32.956 6.258 1.00 0.00 N ATOM 1526 CA GLY A 95 11.289 -33.728 5.208 1.00 0.00 C ATOM 1527 C GLY A 95 10.648 -33.580 3.825 1.00 0.00 C ATOM 1528 O GLY A 95 11.349 -33.606 2.814 1.00 0.00 O ATOM 0 H GLY A 95 10.253 -33.519 7.027 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.331 -33.414 5.150 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.288 -34.782 5.488 1.00 0.00 H new ATOM 1532 N ILE A 96 9.320 -33.436 3.781 1.00 0.00 N ATOM 1533 CA ILE A 96 8.597 -33.180 2.520 1.00 0.00 C ATOM 1534 C ILE A 96 7.723 -31.904 2.609 1.00 0.00 C ATOM 1535 O ILE A 96 6.518 -31.975 2.858 1.00 0.00 O ATOM 1536 CB ILE A 96 7.707 -34.375 2.135 1.00 0.00 C ATOM 1537 CG1 ILE A 96 8.526 -35.669 2.120 1.00 0.00 C ATOM 1538 CG2 ILE A 96 7.055 -34.138 0.781 1.00 0.00 C ATOM 1539 CD1 ILE A 96 7.712 -36.903 1.805 1.00 0.00 C ATOM 0 H ILE A 96 8.718 -33.492 4.603 1.00 0.00 H new ATOM 0 HA ILE A 96 9.355 -33.033 1.751 1.00 0.00 H new ATOM 0 HB ILE A 96 6.920 -34.475 2.882 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.324 -35.574 1.384 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.002 -35.798 3.092 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.429 -34.993 0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 96 6.441 -33.239 0.825 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.827 -34.013 0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.361 -37.779 1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.930 -37.024 2.555 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.257 -36.797 0.820 1.00 0.00 H new ATOM 1551 N PRO A 97 8.328 -30.707 2.453 1.00 0.00 N ATOM 1552 CA PRO A 97 7.602 -29.435 2.534 1.00 0.00 C ATOM 1553 C PRO A 97 7.087 -28.919 1.172 1.00 0.00 C ATOM 1554 O PRO A 97 6.318 -27.961 1.121 1.00 0.00 O ATOM 1555 CB PRO A 97 8.683 -28.510 3.087 1.00 0.00 C ATOM 1556 CG PRO A 97 9.956 -28.991 2.451 1.00 0.00 C ATOM 1557 CD PRO A 97 9.811 -30.489 2.245 1.00 0.00 C ATOM 0 HA PRO A 97 6.695 -29.511 3.133 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.482 -27.469 2.833 1.00 0.00 H new ATOM 0 HB3 PRO A 97 8.736 -28.568 4.174 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.127 -28.486 1.500 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.813 -28.770 3.088 1.00 0.00 H new ATOM 0 HD2 PRO A 97 10.130 -30.794 1.248 1.00 0.00 H new ATOM 0 HD3 PRO A 97 10.408 -31.056 2.959 1.00 0.00 H new ATOM 1565 N MET A 98 7.517 -29.556 0.079 1.00 0.00 N ATOM 1566 CA MET A 98 7.323 -29.018 -1.275 1.00 0.00 C ATOM 1567 C MET A 98 5.889 -29.239 -1.790 1.00 0.00 C ATOM 1568 O MET A 98 5.049 -29.818 -1.101 1.00 0.00 O ATOM 1569 CB MET A 98 8.328 -29.653 -2.234 1.00 0.00 C ATOM 1570 CG MET A 98 9.782 -29.317 -1.938 1.00 0.00 C ATOM 1571 SD MET A 98 10.921 -30.027 -3.143 1.00 0.00 S ATOM 1572 CE MET A 98 12.498 -29.591 -2.416 1.00 0.00 C ATOM 0 H MET A 98 8.005 -30.451 0.104 1.00 0.00 H new ATOM 0 HA MET A 98 7.488 -27.942 -1.227 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.205 -30.736 -2.204 1.00 0.00 H new ATOM 0 HB3 MET A 98 8.094 -29.333 -3.249 1.00 0.00 H new ATOM 0 HG2 MET A 98 9.904 -28.234 -1.923 1.00 0.00 H new ATOM 0 HG3 MET A 98 10.039 -29.681 -0.943 1.00 0.00 H new ATOM 0 HE1 MET A 98 13.304 -29.915 -3.074 1.00 0.00 H new ATOM 0 HE2 MET A 98 12.551 -28.510 -2.283 1.00 0.00 H new ATOM 0 HE3 MET A 98 12.600 -30.081 -1.448 1.00 0.00 H new ATOM 1582 N ILE A 99 5.627 -28.779 -3.015 1.00 0.00 N ATOM 1583 CA ILE A 99 4.306 -28.918 -3.650 1.00 0.00 C ATOM 1584 C ILE A 99 3.838 -30.388 -3.705 1.00 0.00 C ATOM 1585 O ILE A 99 2.639 -30.670 -3.656 1.00 0.00 O ATOM 1586 CB ILE A 99 4.310 -28.341 -5.077 1.00 0.00 C ATOM 1587 CG1 ILE A 99 4.613 -26.841 -5.046 1.00 0.00 C ATOM 1588 CG2 ILE A 99 2.977 -28.603 -5.761 1.00 0.00 C ATOM 1589 CD1 ILE A 99 3.640 -26.038 -4.213 1.00 0.00 C ATOM 0 H ILE A 99 6.317 -28.302 -3.595 1.00 0.00 H new ATOM 0 HA ILE A 99 3.609 -28.354 -3.030 1.00 0.00 H new ATOM 0 HB ILE A 99 5.093 -28.839 -5.649 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.620 -26.691 -4.656 1.00 0.00 H new ATOM 0 HG13 ILE A 99 4.606 -26.457 -6.066 1.00 0.00 H new ATOM 0 HG21 ILE A 99 2.997 -28.188 -6.769 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.800 -29.677 -5.814 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.177 -28.131 -5.191 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.921 -24.985 -4.240 1.00 0.00 H new ATOM 0 HD12 ILE A 99 2.634 -26.156 -4.615 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.663 -26.393 -3.183 1.00 0.00 H new ATOM 1601 N GLY A 100 4.784 -31.324 -3.792 1.00 0.00 N ATOM 1602 CA GLY A 100 4.422 -32.738 -3.847 1.00 0.00 C ATOM 1603 C GLY A 100 5.508 -33.699 -3.352 1.00 0.00 C ATOM 1604 O GLY A 100 5.642 -33.937 -2.150 1.00 0.00 O ATOM 0 H GLY A 100 5.786 -31.134 -3.825 1.00 0.00 H new ATOM 0 HA2 GLY A 100 3.522 -32.892 -3.252 1.00 0.00 H new ATOM 0 HA3 GLY A 100 4.171 -32.995 -4.876 1.00 0.00 H new ATOM 1608 N GLU A 101 6.304 -34.219 -4.282 1.00 0.00 N ATOM 1609 CA GLU A 101 7.358 -35.191 -3.958 1.00 0.00 C ATOM 1610 C GLU A 101 8.722 -34.549 -3.667 1.00 0.00 C ATOM 1611 O GLU A 101 9.387 -34.030 -4.564 1.00 0.00 O ATOM 1612 CB GLU A 101 7.502 -36.198 -5.102 1.00 0.00 C ATOM 1613 CG GLU A 101 8.521 -37.299 -4.845 1.00 0.00 C ATOM 1614 CD GLU A 101 8.585 -38.263 -5.997 1.00 0.00 C ATOM 1615 OE1 GLU A 101 7.896 -38.049 -6.965 1.00 0.00 O ATOM 1616 OE2 GLU A 101 9.403 -39.153 -5.956 1.00 0.00 O ATOM 0 H GLU A 101 6.243 -33.985 -5.273 1.00 0.00 H new ATOM 0 HA GLU A 101 7.045 -35.688 -3.040 1.00 0.00 H new ATOM 0 HB2 GLU A 101 6.531 -36.655 -5.292 1.00 0.00 H new ATOM 0 HB3 GLU A 101 7.785 -35.662 -6.008 1.00 0.00 H new ATOM 0 HG2 GLU A 101 9.504 -36.857 -4.683 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.258 -37.835 -3.933 1.00 0.00 H new ATOM 1623 N ALA A 102 9.127 -34.585 -2.402 1.00 0.00 N ATOM 1624 CA ALA A 102 10.435 -34.073 -1.988 1.00 0.00 C ATOM 1625 C ALA A 102 11.230 -35.168 -1.253 1.00 0.00 C ATOM 1626 O ALA A 102 11.090 -35.350 -0.045 1.00 0.00 O ATOM 1627 CB ALA A 102 10.265 -32.837 -1.114 1.00 0.00 C ATOM 0 H ALA A 102 8.567 -34.965 -1.639 1.00 0.00 H new ATOM 0 HA ALA A 102 10.999 -33.785 -2.875 1.00 0.00 H new ATOM 0 HB1 ALA A 102 11.245 -32.467 -0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.741 -32.063 -1.676 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.687 -33.095 -0.227 1.00 0.00 H new ATOM 1633 N PRO A 103 12.067 -35.931 -1.986 1.00 0.00 N ATOM 1634 CA PRO A 103 12.878 -37.024 -1.405 1.00 0.00 C ATOM 1635 C PRO A 103 14.090 -36.527 -0.592 1.00 0.00 C ATOM 1636 O PRO A 103 15.236 -36.713 -1.002 1.00 0.00 O ATOM 1637 CB PRO A 103 13.316 -37.835 -2.629 1.00 0.00 C ATOM 1638 CG PRO A 103 13.408 -36.831 -3.727 1.00 0.00 C ATOM 1639 CD PRO A 103 12.277 -35.868 -3.483 1.00 0.00 C ATOM 0 HA PRO A 103 12.306 -37.604 -0.680 1.00 0.00 H new ATOM 0 HB2 PRO A 103 14.274 -38.326 -2.458 1.00 0.00 H new ATOM 0 HB3 PRO A 103 12.595 -38.617 -2.866 1.00 0.00 H new ATOM 0 HG2 PRO A 103 14.370 -36.319 -3.712 1.00 0.00 H new ATOM 0 HG3 PRO A 103 13.315 -37.307 -4.703 1.00 0.00 H new ATOM 0 HD2 PRO A 103 12.532 -34.860 -3.809 1.00 0.00 H new ATOM 0 HD3 PRO A 103 11.378 -36.160 -4.026 1.00 0.00 H new ATOM 1647 N LEU A 104 13.830 -35.888 0.556 1.00 0.00 N ATOM 1648 CA LEU A 104 14.894 -35.312 1.403 1.00 0.00 C ATOM 1649 C LEU A 104 15.781 -34.333 0.591 1.00 0.00 C ATOM 1650 O LEU A 104 16.993 -34.243 0.793 1.00 0.00 O ATOM 1651 CB LEU A 104 15.747 -36.430 2.014 1.00 0.00 C ATOM 1652 CG LEU A 104 14.977 -37.449 2.863 1.00 0.00 C ATOM 1653 CD1 LEU A 104 15.923 -38.536 3.358 1.00 0.00 C ATOM 1654 CD2 LEU A 104 14.311 -36.739 4.032 1.00 0.00 C ATOM 0 H LEU A 104 12.888 -35.754 0.925 1.00 0.00 H new ATOM 0 HA LEU A 104 14.423 -34.749 2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 104 16.253 -36.961 1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 104 16.522 -35.977 2.633 1.00 0.00 H new ATOM 0 HG LEU A 104 14.205 -37.920 2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 104 15.368 -39.255 3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 104 16.370 -39.046 2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 104 16.709 -38.086 3.964 1.00 0.00 H new ATOM 0 HD21 LEU A 104 13.764 -37.464 4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 104 15.072 -36.257 4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 104 13.619 -35.986 3.654 1.00 0.00 H new ATOM 1666 N GLU A 105 15.149 -33.572 -0.300 1.00 0.00 N ATOM 1667 CA GLU A 105 15.843 -32.553 -1.090 1.00 0.00 C ATOM 1668 C GLU A 105 16.072 -31.268 -0.279 1.00 0.00 C ATOM 1669 O GLU A 105 15.234 -30.363 -0.262 1.00 0.00 O ATOM 1670 CB GLU A 105 15.054 -32.239 -2.362 1.00 0.00 C ATOM 1671 CG GLU A 105 14.980 -33.390 -3.355 1.00 0.00 C ATOM 1672 CD GLU A 105 16.286 -33.575 -4.077 1.00 0.00 C ATOM 1673 OE1 GLU A 105 17.189 -32.809 -3.836 1.00 0.00 O ATOM 1674 OE2 GLU A 105 16.419 -34.545 -4.785 1.00 0.00 O ATOM 0 H GLU A 105 14.150 -33.642 -0.495 1.00 0.00 H new ATOM 0 HA GLU A 105 16.819 -32.954 -1.363 1.00 0.00 H new ATOM 0 HB2 GLU A 105 14.041 -31.949 -2.084 1.00 0.00 H new ATOM 0 HB3 GLU A 105 15.508 -31.379 -2.854 1.00 0.00 H new ATOM 0 HG2 GLU A 105 14.719 -34.309 -2.830 1.00 0.00 H new ATOM 0 HG3 GLU A 105 14.187 -33.199 -4.078 1.00 0.00 H new ATOM 1681 N HIS A 106 17.208 -31.200 0.405 1.00 0.00 N ATOM 1682 CA HIS A 106 17.517 -30.062 1.267 1.00 0.00 C ATOM 1683 C HIS A 106 18.456 -29.085 0.544 1.00 0.00 C ATOM 1684 O HIS A 106 19.624 -28.946 0.912 1.00 0.00 O ATOM 1685 CB HIS A 106 18.148 -30.530 2.583 1.00 0.00 C ATOM 1686 CG HIS A 106 17.341 -31.569 3.300 1.00 0.00 C ATOM 1687 ND1 HIS A 106 16.085 -31.316 3.807 1.00 0.00 N ATOM 1688 CD2 HIS A 106 17.613 -32.862 3.594 1.00 0.00 C ATOM 1689 CE1 HIS A 106 15.617 -32.410 4.383 1.00 0.00 C ATOM 1690 NE2 HIS A 106 16.526 -33.361 4.267 1.00 0.00 N ATOM 0 H HIS A 106 17.931 -31.919 0.380 1.00 0.00 H new ATOM 0 HA HIS A 106 16.585 -29.547 1.499 1.00 0.00 H new ATOM 0 HB2 HIS A 106 19.141 -30.931 2.378 1.00 0.00 H new ATOM 0 HB3 HIS A 106 18.281 -29.669 3.238 1.00 0.00 H new ATOM 0 HD1 HIS A 106 15.593 -30.424 3.747 1.00 0.00 H new ATOM 0 HD2 HIS A 106 18.516 -33.400 3.346 1.00 0.00 H new ATOM 0 HE1 HIS A 106 14.656 -32.509 4.866 1.00 0.00 H new ATOM 1695 N HIS A 107 17.946 -28.433 -0.500 1.00 0.00 N ATOM 1696 CA HIS A 107 18.761 -27.527 -1.322 1.00 0.00 C ATOM 1697 C HIS A 107 19.236 -26.307 -0.518 1.00 0.00 C ATOM 1698 O HIS A 107 18.490 -25.767 0.303 1.00 0.00 O ATOM 1699 CB HIS A 107 17.977 -27.067 -2.556 1.00 0.00 C ATOM 1700 CG HIS A 107 18.822 -26.383 -3.585 1.00 0.00 C ATOM 1701 ND1 HIS A 107 19.205 -25.062 -3.476 1.00 0.00 N ATOM 1702 CD2 HIS A 107 19.357 -26.836 -4.743 1.00 0.00 C ATOM 1703 CE1 HIS A 107 19.940 -24.733 -4.523 1.00 0.00 C ATOM 1704 NE2 HIS A 107 20.047 -25.790 -5.307 1.00 0.00 N ATOM 0 H HIS A 107 16.974 -28.512 -0.800 1.00 0.00 H new ATOM 0 HA HIS A 107 19.641 -28.083 -1.645 1.00 0.00 H new ATOM 0 HB2 HIS A 107 17.494 -27.931 -3.012 1.00 0.00 H new ATOM 0 HB3 HIS A 107 17.185 -26.389 -2.240 1.00 0.00 H new ATOM 0 HD1 HIS A 107 18.959 -24.438 -2.708 1.00 0.00 H new ATOM 0 HD2 HIS A 107 19.260 -27.833 -5.148 1.00 0.00 H new ATOM 0 HE1 HIS A 107 20.379 -23.764 -4.707 1.00 0.00 H new ATOM 1709 N HIS A 108 20.480 -25.888 -0.763 1.00 0.00 N ATOM 1710 CA HIS A 108 21.038 -24.668 -0.161 1.00 0.00 C ATOM 1711 C HIS A 108 20.121 -23.439 -0.317 1.00 0.00 C ATOM 1712 O HIS A 108 19.569 -23.185 -1.388 1.00 0.00 O ATOM 1713 CB HIS A 108 22.411 -24.362 -0.768 1.00 0.00 C ATOM 1714 CG HIS A 108 23.027 -23.097 -0.257 1.00 0.00 C ATOM 1715 ND1 HIS A 108 23.532 -22.980 1.021 1.00 0.00 N ATOM 1716 CD2 HIS A 108 23.221 -21.896 -0.850 1.00 0.00 C ATOM 1717 CE1 HIS A 108 24.009 -21.759 1.191 1.00 0.00 C ATOM 1718 NE2 HIS A 108 23.832 -21.083 0.072 1.00 0.00 N ATOM 0 H HIS A 108 21.127 -26.379 -1.380 1.00 0.00 H new ATOM 0 HA HIS A 108 21.130 -24.865 0.907 1.00 0.00 H new ATOM 0 HB2 HIS A 108 23.084 -25.194 -0.559 1.00 0.00 H new ATOM 0 HB3 HIS A 108 22.313 -24.296 -1.852 1.00 0.00 H new ATOM 0 HD2 HIS A 108 22.947 -21.628 -1.859 1.00 0.00 H new ATOM 0 HE1 HIS A 108 24.466 -21.379 2.093 1.00 0.00 H new ATOM 0 HE2 HIS A 108 24.105 -20.113 -0.083 1.00 0.00 H new ATOM 1723 N HIS A 109 19.965 -22.693 0.775 1.00 0.00 N ATOM 1724 CA HIS A 109 19.026 -21.570 0.846 1.00 0.00 C ATOM 1725 C HIS A 109 19.446 -20.610 1.972 1.00 0.00 C ATOM 1726 O HIS A 109 20.358 -20.911 2.745 1.00 0.00 O ATOM 1727 CB HIS A 109 17.593 -22.066 1.074 1.00 0.00 C ATOM 1728 CG HIS A 109 17.407 -22.791 2.369 1.00 0.00 C ATOM 1729 ND1 HIS A 109 17.720 -24.126 2.526 1.00 0.00 N ATOM 1730 CD2 HIS A 109 16.938 -22.371 3.568 1.00 0.00 C ATOM 1731 CE1 HIS A 109 17.453 -24.493 3.767 1.00 0.00 C ATOM 1732 NE2 HIS A 109 16.977 -23.448 4.419 1.00 0.00 N ATOM 0 H HIS A 109 20.486 -22.849 1.638 1.00 0.00 H new ATOM 0 HA HIS A 109 19.050 -21.038 -0.105 1.00 0.00 H new ATOM 0 HB2 HIS A 109 16.914 -21.214 1.044 1.00 0.00 H new ATOM 0 HB3 HIS A 109 17.312 -22.727 0.254 1.00 0.00 H new ATOM 0 HD1 HIS A 109 18.098 -24.733 1.799 1.00 0.00 H new ATOM 0 HD2 HIS A 109 16.597 -21.375 3.810 1.00 0.00 H new ATOM 0 HE1 HIS A 109 17.599 -25.481 4.179 1.00 0.00 H new ATOM 0 HE2 HIS A 109 16.686 -23.442 5.396 1.00 0.00 H new ATOM 1737 N HIS A 110 18.794 -19.456 2.062 1.00 0.00 N ATOM 1738 CA HIS A 110 19.086 -18.501 3.136 1.00 0.00 C ATOM 1739 C HIS A 110 17.802 -17.963 3.767 1.00 0.00 C ATOM 1740 O HIS A 110 16.801 -17.754 3.083 1.00 0.00 O ATOM 1741 CB HIS A 110 19.936 -17.339 2.610 1.00 0.00 C ATOM 1742 CG HIS A 110 21.281 -17.757 2.104 1.00 0.00 C ATOM 1743 ND1 HIS A 110 22.361 -17.952 2.939 1.00 0.00 N ATOM 1744 CD2 HIS A 110 21.722 -18.016 0.851 1.00 0.00 C ATOM 1745 CE1 HIS A 110 23.409 -18.316 2.219 1.00 0.00 C ATOM 1746 NE2 HIS A 110 23.047 -18.361 0.950 1.00 0.00 N ATOM 0 H HIS A 110 18.066 -19.157 1.413 1.00 0.00 H new ATOM 0 HA HIS A 110 19.648 -19.033 3.904 1.00 0.00 H new ATOM 0 HB2 HIS A 110 19.395 -16.839 1.807 1.00 0.00 H new ATOM 0 HB3 HIS A 110 20.069 -16.608 3.407 1.00 0.00 H new ATOM 0 HD1 HIS A 110 22.353 -17.834 3.952 1.00 0.00 H new ATOM 0 HD2 HIS A 110 21.140 -17.961 -0.057 1.00 0.00 H new ATOM 0 HE1 HIS A 110 24.393 -18.539 2.604 1.00 0.00 H new ATOM 1751 N HIS A 111 17.854 -17.721 5.072 1.00 0.00 N ATOM 1752 CA HIS A 111 16.704 -17.201 5.816 1.00 0.00 C ATOM 1753 C HIS A 111 16.923 -15.711 6.173 1.00 0.00 C ATOM 1754 O HIS A 111 16.571 -14.842 5.349 1.00 0.00 O ATOM 1755 CB HIS A 111 16.461 -18.024 7.085 1.00 0.00 C ATOM 1756 CG HIS A 111 16.082 -19.447 6.816 1.00 0.00 C ATOM 1757 ND1 HIS A 111 14.793 -19.827 6.506 1.00 0.00 N ATOM 1758 CD2 HIS A 111 16.821 -20.581 6.810 1.00 0.00 C ATOM 1759 CE1 HIS A 111 14.757 -21.136 6.320 1.00 0.00 C ATOM 1760 NE2 HIS A 111 15.975 -21.616 6.500 1.00 0.00 N ATOM 1761 OXT HIS A 111 17.486 -15.421 7.248 1.00 0.00 O ATOM 0 H HIS A 111 18.685 -17.877 5.643 1.00 0.00 H new ATOM 0 HA HIS A 111 15.821 -17.282 5.182 1.00 0.00 H new ATOM 0 HB2 HIS A 111 17.363 -18.007 7.697 1.00 0.00 H new ATOM 0 HB3 HIS A 111 15.671 -17.551 7.668 1.00 0.00 H new ATOM 0 HD1 HIS A 111 13.994 -19.198 6.432 1.00 0.00 H new ATOM 0 HD2 HIS A 111 17.879 -20.657 7.012 1.00 0.00 H new ATOM 0 HE1 HIS A 111 13.881 -21.714 6.065 1.00 0.00 H new TER 1766 HIS A 111