USER MOD reduce.3.24.130724 H: found=0, std=0, add=1089, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1098 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 119 MET CE :methyl -170:sc= 0 (180deg=-0.106) USER MOD Set 1.2: A 126 CYS SG : rot 169:sc= 0.329 USER MOD Set 1.3: A 128 GLN : amide:sc= 0 X(o=0.33,f=0.042) USER MOD Set 2.1: A 95 CYS SG : rot 170:sc= -0.385 USER MOD Set 2.2: A 97 GLN : amide:sc= 0.191 K(o=-0.19,f=-1.3) USER MOD Set 3.1: A 94 GLN : amide:sc= 1.01 K(o=2.2,f=-0.1) USER MOD Set 3.2: A 107 THR OG1 : rot -45:sc= 1.17 USER MOD Set 4.1: A 40 LYS NZ :NH3+ 176:sc= 0.105 (180deg=-0.173) USER MOD Set 4.2: A 53 THR OG1 : rot 180:sc= 0.196 USER MOD Set 5.1: A 13 ASN : amide:sc= 0.056 K(o=0.42,f=-3.2!) USER MOD Set 5.2: A 34 ASN : amide:sc= 0.367 K(o=0.42,f=-5!) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 153:sc= 1.33 (180deg=0.485) USER MOD Single : A 5 ASN : amide:sc= 0.674 K(o=0.67,f=-0.53) USER MOD Single : A 7 TYR OH : rot 24:sc= 1.23 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -169:sc= -0.0806 (180deg=-0.235) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.841 K(o=0.84,f=-0.084) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.072 K(o=-0.072,f=-0.6) USER MOD Single : A 31 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.00782) USER MOD Single : A 37 LYS NZ :NH3+ 168:sc= 0.595 (180deg=0.509) USER MOD Single : A 44 GLN : amide:sc= 0.853 K(o=0.85,f=-5.7!) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 163:sc= -0.069 (180deg=-0.692) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0586 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.54) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN :FLIP amide:sc= 0.611 F(o=-1,f=0.61) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -30:sc= 0.832 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot -140:sc= -0.274 USER MOD Single : A 83 MET CE :methyl 159:sc= 0 (180deg=-0.0834) USER MOD Single : A 84 THR OG1 : rot 83:sc= 1.11 USER MOD Single : A 85 THR OG1 : rot 99:sc= 1.23 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 163:sc= 0.442 (180deg=0.295) USER MOD Single : A 101 LYS NZ :NH3+ -179:sc= 1.87 (180deg=1.86) USER MOD Single : A 108 GLN : amide:sc= 0.306 K(o=0.31,f=-2.6!) USER MOD Single : A 116 HIS : no HD1:sc= -0.0123 X(o=-0.012,f=-0.081) USER MOD Single : A 125 THR OG1 : rot 180:sc=-0.000549 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 0.712 -0.352 0.357 1.00 0.00 N ATOM 2 CA MET A 0 1.168 -1.259 -0.728 1.00 0.00 C ATOM 3 C MET A 0 2.725 -1.135 -0.891 1.00 0.00 C ATOM 4 O MET A 0 3.158 -0.200 -1.578 1.00 0.00 O ATOM 5 CB MET A 0 0.391 -0.980 -2.047 1.00 0.00 C ATOM 6 CG MET A 0 -1.110 -1.340 -2.049 1.00 0.00 C ATOM 7 SD MET A 0 -2.055 -0.123 -1.102 1.00 0.00 S ATOM 8 CE MET A 0 -3.056 -1.196 -0.057 1.00 0.00 C ATOM 0 H1 MET A 0 -0.275 -0.074 0.185 1.00 0.00 H new ATOM 0 H2 MET A 0 0.780 -0.843 1.271 1.00 0.00 H new ATOM 0 H3 MET A 0 1.312 0.497 0.375 1.00 0.00 H new ATOM 0 HA MET A 0 0.947 -2.293 -0.465 1.00 0.00 H new ATOM 0 HB2 MET A 0 0.488 0.080 -2.283 1.00 0.00 H new ATOM 0 HB3 MET A 0 0.876 -1.532 -2.852 1.00 0.00 H new ATOM 0 HG2 MET A 0 -1.479 -1.378 -3.074 1.00 0.00 H new ATOM 0 HG3 MET A 0 -1.252 -2.332 -1.621 1.00 0.00 H new ATOM 0 HE1 MET A 0 -3.693 -0.587 0.585 1.00 0.00 H new ATOM 0 HE2 MET A 0 -3.678 -1.836 -0.683 1.00 0.00 H new ATOM 0 HE3 MET A 0 -2.404 -1.814 0.560 1.00 0.00 H new ATOM 19 N PRO A 1 3.603 -2.002 -0.294 1.00 0.00 N ATOM 20 CA PRO A 1 5.081 -1.792 -0.318 1.00 0.00 C ATOM 21 C PRO A 1 5.834 -2.180 -1.634 1.00 0.00 C ATOM 22 O PRO A 1 5.300 -2.856 -2.519 1.00 0.00 O ATOM 23 CB PRO A 1 5.522 -2.631 0.898 1.00 0.00 C ATOM 24 CG PRO A 1 4.501 -3.757 1.018 1.00 0.00 C ATOM 25 CD PRO A 1 3.187 -3.088 0.620 1.00 0.00 C ATOM 0 HA PRO A 1 5.334 -0.733 -0.277 1.00 0.00 H new ATOM 0 HB2 PRO A 1 6.527 -3.028 0.755 1.00 0.00 H new ATOM 0 HB3 PRO A 1 5.544 -2.025 1.804 1.00 0.00 H new ATOM 0 HG2 PRO A 1 4.743 -4.591 0.359 1.00 0.00 H new ATOM 0 HG3 PRO A 1 4.458 -4.154 2.032 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.515 -3.790 0.126 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.658 -2.698 1.489 1.00 0.00 H new ATOM 33 N VAL A 2 7.113 -1.762 -1.740 1.00 0.00 N ATOM 34 CA VAL A 2 7.965 -2.051 -2.935 1.00 0.00 C ATOM 35 C VAL A 2 8.579 -3.493 -2.845 1.00 0.00 C ATOM 36 O VAL A 2 9.083 -3.914 -1.795 1.00 0.00 O ATOM 37 CB VAL A 2 9.125 -1.006 -3.171 1.00 0.00 C ATOM 38 CG1 VAL A 2 9.578 -0.984 -4.653 1.00 0.00 C ATOM 39 CG2 VAL A 2 8.880 0.464 -2.766 1.00 0.00 C ATOM 0 H VAL A 2 7.588 -1.222 -1.017 1.00 0.00 H new ATOM 0 HA VAL A 2 7.293 -1.974 -3.789 1.00 0.00 H new ATOM 0 HB VAL A 2 9.881 -1.389 -2.486 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.377 -0.254 -4.778 1.00 0.00 H new ATOM 0 HG12 VAL A 2 9.941 -1.972 -4.937 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.735 -0.711 -5.287 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.767 1.056 -2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.030 0.858 -3.324 1.00 0.00 H new ATOM 0 HG23 VAL A 2 8.669 0.517 -1.698 1.00 0.00 H new ATOM 49 N ASP A 3 8.628 -4.216 -3.978 1.00 0.00 N ATOM 50 CA ASP A 3 9.411 -5.468 -4.114 1.00 0.00 C ATOM 51 C ASP A 3 10.962 -5.240 -4.062 1.00 0.00 C ATOM 52 O ASP A 3 11.592 -4.862 -5.054 1.00 0.00 O ATOM 53 CB ASP A 3 8.898 -6.210 -5.379 1.00 0.00 C ATOM 54 CG ASP A 3 9.167 -5.600 -6.762 1.00 0.00 C ATOM 55 OD1 ASP A 3 9.981 -6.050 -7.561 1.00 0.00 O ATOM 56 OD2 ASP A 3 8.393 -4.507 -7.009 1.00 0.00 O ATOM 0 H ASP A 3 8.128 -3.953 -4.827 1.00 0.00 H new ATOM 0 HA ASP A 3 9.247 -6.111 -3.249 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.330 -7.211 -5.371 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.819 -6.328 -5.276 1.00 0.00 H new ATOM 62 N PHE A 4 11.580 -5.482 -2.892 1.00 0.00 N ATOM 63 CA PHE A 4 13.069 -5.400 -2.738 1.00 0.00 C ATOM 64 C PHE A 4 13.897 -6.641 -3.256 1.00 0.00 C ATOM 65 O PHE A 4 15.119 -6.658 -3.105 1.00 0.00 O ATOM 66 CB PHE A 4 13.393 -5.055 -1.249 1.00 0.00 C ATOM 67 CG PHE A 4 13.039 -3.678 -0.627 1.00 0.00 C ATOM 68 CD1 PHE A 4 12.367 -2.658 -1.312 1.00 0.00 C ATOM 69 CD2 PHE A 4 13.458 -3.440 0.689 1.00 0.00 C ATOM 70 CE1 PHE A 4 12.143 -1.422 -0.708 1.00 0.00 C ATOM 71 CE2 PHE A 4 13.223 -2.206 1.294 1.00 0.00 C ATOM 72 CZ PHE A 4 12.563 -1.203 0.596 1.00 0.00 C ATOM 0 H PHE A 4 11.087 -5.736 -2.036 1.00 0.00 H new ATOM 0 HA PHE A 4 13.404 -4.607 -3.407 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.902 -5.812 -0.637 1.00 0.00 H new ATOM 0 HB3 PHE A 4 14.467 -5.190 -1.122 1.00 0.00 H new ATOM 0 HD1 PHE A 4 12.018 -2.831 -2.319 1.00 0.00 H new ATOM 0 HD2 PHE A 4 13.967 -4.218 1.239 1.00 0.00 H new ATOM 0 HE1 PHE A 4 11.643 -0.636 -1.254 1.00 0.00 H new ATOM 0 HE2 PHE A 4 13.555 -2.030 2.307 1.00 0.00 H new ATOM 0 HZ PHE A 4 12.376 -0.250 1.069 1.00 0.00 H new ATOM 82 N ASN A 5 13.268 -7.645 -3.899 1.00 0.00 N ATOM 83 CA ASN A 5 13.901 -8.905 -4.370 1.00 0.00 C ATOM 84 C ASN A 5 15.050 -8.707 -5.407 1.00 0.00 C ATOM 85 O ASN A 5 14.799 -8.234 -6.521 1.00 0.00 O ATOM 86 CB ASN A 5 12.777 -9.776 -5.011 1.00 0.00 C ATOM 87 CG ASN A 5 11.582 -10.126 -4.117 1.00 0.00 C ATOM 88 OD1 ASN A 5 10.663 -9.337 -3.927 1.00 0.00 O ATOM 89 ND2 ASN A 5 11.596 -11.279 -3.506 1.00 0.00 N ATOM 0 H ASN A 5 12.272 -7.605 -4.115 1.00 0.00 H new ATOM 0 HA ASN A 5 14.368 -9.379 -3.506 1.00 0.00 H new ATOM 0 HB2 ASN A 5 12.402 -9.253 -5.891 1.00 0.00 H new ATOM 0 HB3 ASN A 5 13.225 -10.707 -5.360 1.00 0.00 H new ATOM 0 HD21 ASN A 5 10.840 -11.527 -2.867 1.00 0.00 H new ATOM 0 HD22 ASN A 5 12.363 -11.932 -3.667 1.00 0.00 H new ATOM 96 N GLY A 6 16.297 -9.081 -5.069 1.00 0.00 N ATOM 97 CA GLY A 6 17.420 -8.924 -6.024 1.00 0.00 C ATOM 98 C GLY A 6 18.837 -8.988 -5.437 1.00 0.00 C ATOM 99 O GLY A 6 19.059 -9.172 -4.237 1.00 0.00 O ATOM 0 H GLY A 6 16.554 -9.484 -4.168 1.00 0.00 H new ATOM 0 HA2 GLY A 6 17.331 -9.700 -6.784 1.00 0.00 H new ATOM 0 HA3 GLY A 6 17.304 -7.966 -6.531 1.00 0.00 H new ATOM 103 N TYR A 7 19.800 -8.795 -6.345 1.00 0.00 N ATOM 104 CA TYR A 7 21.230 -8.604 -5.990 1.00 0.00 C ATOM 105 C TYR A 7 21.620 -7.126 -6.319 1.00 0.00 C ATOM 106 O TYR A 7 21.453 -6.655 -7.452 1.00 0.00 O ATOM 107 CB TYR A 7 22.072 -9.655 -6.767 1.00 0.00 C ATOM 108 CG TYR A 7 23.481 -9.894 -6.202 1.00 0.00 C ATOM 109 CD1 TYR A 7 24.560 -9.127 -6.649 1.00 0.00 C ATOM 110 CD2 TYR A 7 23.703 -10.897 -5.253 1.00 0.00 C ATOM 111 CE1 TYR A 7 25.840 -9.358 -6.156 1.00 0.00 C ATOM 112 CE2 TYR A 7 24.982 -11.115 -4.744 1.00 0.00 C ATOM 113 CZ TYR A 7 26.049 -10.341 -5.193 1.00 0.00 C ATOM 114 OH TYR A 7 27.295 -10.520 -4.651 1.00 0.00 O ATOM 0 H TYR A 7 19.621 -8.765 -7.349 1.00 0.00 H new ATOM 0 HA TYR A 7 21.422 -8.761 -4.929 1.00 0.00 H new ATOM 0 HB2 TYR A 7 21.532 -10.602 -6.772 1.00 0.00 H new ATOM 0 HB3 TYR A 7 22.161 -9.334 -7.805 1.00 0.00 H new ATOM 0 HD1 TYR A 7 24.399 -8.350 -7.382 1.00 0.00 H new ATOM 0 HD2 TYR A 7 22.879 -11.506 -4.913 1.00 0.00 H new ATOM 0 HE1 TYR A 7 26.672 -8.774 -6.521 1.00 0.00 H new ATOM 0 HE2 TYR A 7 25.145 -11.883 -4.002 1.00 0.00 H new ATOM 0 HH TYR A 7 27.810 -9.690 -4.734 1.00 0.00 H new ATOM 124 N TRP A 8 22.104 -6.402 -5.303 1.00 0.00 N ATOM 125 CA TRP A 8 22.264 -4.923 -5.352 1.00 0.00 C ATOM 126 C TRP A 8 23.756 -4.539 -5.083 1.00 0.00 C ATOM 127 O TRP A 8 24.310 -4.926 -4.052 1.00 0.00 O ATOM 128 CB TRP A 8 21.335 -4.300 -4.269 1.00 0.00 C ATOM 129 CG TRP A 8 19.822 -4.541 -4.386 1.00 0.00 C ATOM 130 CD1 TRP A 8 19.115 -5.654 -3.876 1.00 0.00 C ATOM 131 CD2 TRP A 8 18.866 -3.722 -4.951 1.00 0.00 C ATOM 132 NE1 TRP A 8 17.738 -5.564 -4.146 1.00 0.00 N ATOM 133 CE2 TRP A 8 17.605 -4.353 -4.802 1.00 0.00 C ATOM 134 CE3 TRP A 8 18.963 -2.447 -5.562 1.00 0.00 C ATOM 135 CZ2 TRP A 8 16.435 -3.719 -5.274 1.00 0.00 C ATOM 136 CZ3 TRP A 8 17.794 -1.838 -6.018 1.00 0.00 C ATOM 137 CH2 TRP A 8 16.551 -2.468 -5.885 1.00 0.00 C ATOM 0 H TRP A 8 22.399 -6.814 -4.418 1.00 0.00 H new ATOM 0 HA TRP A 8 21.991 -4.543 -6.336 1.00 0.00 H new ATOM 0 HB2 TRP A 8 21.658 -4.675 -3.298 1.00 0.00 H new ATOM 0 HB3 TRP A 8 21.502 -3.223 -4.267 1.00 0.00 H new ATOM 0 HD1 TRP A 8 19.576 -6.473 -3.344 1.00 0.00 H new ATOM 0 HE1 TRP A 8 17.007 -6.236 -3.912 1.00 0.00 H new ATOM 0 HE3 TRP A 8 19.920 -1.958 -5.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 15.470 -4.192 -5.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 17.849 -0.864 -6.481 1.00 0.00 H new ATOM 0 HH2 TRP A 8 15.665 -1.978 -6.262 1.00 0.00 H new ATOM 148 N LYS A 9 24.403 -3.764 -5.970 1.00 0.00 N ATOM 149 CA LYS A 9 25.839 -3.350 -5.820 1.00 0.00 C ATOM 150 C LYS A 9 25.996 -1.889 -5.290 1.00 0.00 C ATOM 151 O LYS A 9 25.278 -1.002 -5.757 1.00 0.00 O ATOM 152 CB LYS A 9 26.590 -3.553 -7.170 1.00 0.00 C ATOM 153 CG LYS A 9 26.215 -2.610 -8.345 1.00 0.00 C ATOM 154 CD LYS A 9 27.108 -2.788 -9.590 1.00 0.00 C ATOM 155 CE LYS A 9 26.666 -1.942 -10.801 1.00 0.00 C ATOM 156 NZ LYS A 9 26.954 -0.506 -10.610 1.00 0.00 N ATOM 0 H LYS A 9 23.961 -3.400 -6.814 1.00 0.00 H new ATOM 0 HA LYS A 9 26.291 -3.990 -5.062 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.658 -3.447 -6.981 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.425 -4.580 -7.496 1.00 0.00 H new ATOM 0 HG2 LYS A 9 25.177 -2.787 -8.625 1.00 0.00 H new ATOM 0 HG3 LYS A 9 26.281 -1.576 -8.006 1.00 0.00 H new ATOM 0 HD2 LYS A 9 28.133 -2.525 -9.330 1.00 0.00 H new ATOM 0 HD3 LYS A 9 27.111 -3.840 -9.876 1.00 0.00 H new ATOM 0 HE2 LYS A 9 27.176 -2.298 -11.697 1.00 0.00 H new ATOM 0 HE3 LYS A 9 25.597 -2.078 -10.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 26.641 0.025 -11.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 26.448 -0.159 -9.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 27.977 -0.372 -10.477 1.00 0.00 H new ATOM 169 N MET A 10 26.944 -1.596 -4.372 1.00 0.00 N ATOM 170 CA MET A 10 27.118 -0.211 -3.837 1.00 0.00 C ATOM 171 C MET A 10 27.629 0.823 -4.902 1.00 0.00 C ATOM 172 O MET A 10 28.691 0.659 -5.509 1.00 0.00 O ATOM 173 CB MET A 10 28.018 -0.221 -2.572 1.00 0.00 C ATOM 174 CG MET A 10 28.087 1.148 -1.848 1.00 0.00 C ATOM 175 SD MET A 10 29.146 1.098 -0.395 1.00 0.00 S ATOM 176 CE MET A 10 27.940 0.626 0.852 1.00 0.00 C ATOM 0 H MET A 10 27.594 -2.281 -3.986 1.00 0.00 H new ATOM 0 HA MET A 10 26.123 0.135 -3.558 1.00 0.00 H new ATOM 0 HB2 MET A 10 27.644 -0.972 -1.876 1.00 0.00 H new ATOM 0 HB3 MET A 10 29.026 -0.524 -2.856 1.00 0.00 H new ATOM 0 HG2 MET A 10 28.458 1.904 -2.540 1.00 0.00 H new ATOM 0 HG3 MET A 10 27.083 1.452 -1.553 1.00 0.00 H new ATOM 0 HE1 MET A 10 28.379 0.738 1.843 1.00 0.00 H new ATOM 0 HE2 MET A 10 27.062 1.266 0.770 1.00 0.00 H new ATOM 0 HE3 MET A 10 27.647 -0.413 0.700 1.00 0.00 H new ATOM 186 N LEU A 11 26.883 1.930 -5.044 1.00 0.00 N ATOM 187 CA LEU A 11 27.369 3.162 -5.725 1.00 0.00 C ATOM 188 C LEU A 11 28.174 4.102 -4.764 1.00 0.00 C ATOM 189 O LEU A 11 29.311 4.463 -5.078 1.00 0.00 O ATOM 190 CB LEU A 11 26.168 3.923 -6.361 1.00 0.00 C ATOM 191 CG LEU A 11 25.321 3.209 -7.444 1.00 0.00 C ATOM 192 CD1 LEU A 11 24.142 4.114 -7.836 1.00 0.00 C ATOM 193 CD2 LEU A 11 26.133 2.851 -8.701 1.00 0.00 C ATOM 0 H LEU A 11 25.928 2.006 -4.695 1.00 0.00 H new ATOM 0 HA LEU A 11 28.060 2.853 -6.509 1.00 0.00 H new ATOM 0 HB2 LEU A 11 25.495 4.212 -5.553 1.00 0.00 H new ATOM 0 HB3 LEU A 11 26.555 4.843 -6.798 1.00 0.00 H new ATOM 0 HG LEU A 11 24.968 2.271 -7.016 1.00 0.00 H new ATOM 0 HD11 LEU A 11 23.541 3.618 -8.598 1.00 0.00 H new ATOM 0 HD12 LEU A 11 23.526 4.310 -6.958 1.00 0.00 H new ATOM 0 HD13 LEU A 11 24.522 5.057 -8.230 1.00 0.00 H new ATOM 0 HD21 LEU A 11 25.486 2.353 -9.423 1.00 0.00 H new ATOM 0 HD22 LEU A 11 26.538 3.761 -9.144 1.00 0.00 H new ATOM 0 HD23 LEU A 11 26.951 2.185 -8.428 1.00 0.00 H new ATOM 205 N SER A 12 27.588 4.519 -3.620 1.00 0.00 N ATOM 206 CA SER A 12 28.232 5.462 -2.661 1.00 0.00 C ATOM 207 C SER A 12 28.006 5.056 -1.170 1.00 0.00 C ATOM 208 O SER A 12 26.971 4.481 -0.810 1.00 0.00 O ATOM 209 CB SER A 12 27.732 6.901 -2.953 1.00 0.00 C ATOM 210 OG SER A 12 26.331 7.051 -2.717 1.00 0.00 O ATOM 0 H SER A 12 26.658 4.216 -3.330 1.00 0.00 H new ATOM 0 HA SER A 12 29.311 5.420 -2.809 1.00 0.00 H new ATOM 0 HB2 SER A 12 28.280 7.606 -2.329 1.00 0.00 H new ATOM 0 HB3 SER A 12 27.952 7.155 -3.990 1.00 0.00 H new ATOM 0 HG SER A 12 26.063 7.973 -2.913 1.00 0.00 H new ATOM 216 N ASN A 13 28.973 5.404 -0.299 1.00 0.00 N ATOM 217 CA ASN A 13 28.787 5.378 1.180 1.00 0.00 C ATOM 218 C ASN A 13 29.317 6.717 1.796 1.00 0.00 C ATOM 219 O ASN A 13 30.524 6.961 1.875 1.00 0.00 O ATOM 220 CB ASN A 13 29.346 4.069 1.803 1.00 0.00 C ATOM 221 CG ASN A 13 30.860 3.870 1.919 1.00 0.00 C ATOM 222 OD1 ASN A 13 31.435 4.108 2.972 1.00 0.00 O ATOM 223 ND2 ASN A 13 31.542 3.412 0.897 1.00 0.00 N ATOM 0 H ASN A 13 29.902 5.710 -0.590 1.00 0.00 H new ATOM 0 HA ASN A 13 27.728 5.340 1.435 1.00 0.00 H new ATOM 0 HB2 ASN A 13 28.928 3.982 2.806 1.00 0.00 H new ATOM 0 HB3 ASN A 13 28.952 3.237 1.220 1.00 0.00 H new ATOM 0 HD21 ASN A 13 32.546 3.256 0.983 1.00 0.00 H new ATOM 0 HD22 ASN A 13 31.068 3.212 0.016 1.00 0.00 H new ATOM 230 N GLU A 14 28.392 7.606 2.187 1.00 0.00 N ATOM 231 CA GLU A 14 28.698 8.998 2.608 1.00 0.00 C ATOM 232 C GLU A 14 28.507 9.129 4.151 1.00 0.00 C ATOM 233 O GLU A 14 27.443 8.806 4.689 1.00 0.00 O ATOM 234 CB GLU A 14 27.754 9.908 1.775 1.00 0.00 C ATOM 235 CG GLU A 14 27.912 11.432 1.993 1.00 0.00 C ATOM 236 CD GLU A 14 26.994 12.259 1.095 1.00 0.00 C ATOM 237 OE1 GLU A 14 27.347 12.761 0.034 1.00 0.00 O ATOM 238 OE2 GLU A 14 25.734 12.371 1.600 1.00 0.00 O ATOM 0 H GLU A 14 27.397 7.385 2.223 1.00 0.00 H new ATOM 0 HA GLU A 14 29.731 9.292 2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 14 27.915 9.694 0.718 1.00 0.00 H new ATOM 0 HB3 GLU A 14 26.724 9.634 2.002 1.00 0.00 H new ATOM 0 HG2 GLU A 14 27.701 11.669 3.036 1.00 0.00 H new ATOM 0 HG3 GLU A 14 28.948 11.715 1.805 1.00 0.00 H new ATOM 246 N ASN A 15 29.554 9.591 4.865 1.00 0.00 N ATOM 247 CA ASN A 15 29.582 9.647 6.366 1.00 0.00 C ATOM 248 C ASN A 15 29.539 8.269 7.139 1.00 0.00 C ATOM 249 O ASN A 15 29.197 8.222 8.326 1.00 0.00 O ATOM 250 CB ASN A 15 28.583 10.743 6.858 1.00 0.00 C ATOM 251 CG ASN A 15 28.835 11.295 8.264 1.00 0.00 C ATOM 252 OD1 ASN A 15 29.926 11.743 8.598 1.00 0.00 O ATOM 253 ND2 ASN A 15 27.845 11.310 9.122 1.00 0.00 N ATOM 0 H ASN A 15 30.409 9.938 4.431 1.00 0.00 H new ATOM 0 HA ASN A 15 30.588 9.952 6.653 1.00 0.00 H new ATOM 0 HB2 ASN A 15 28.609 11.574 6.153 1.00 0.00 H new ATOM 0 HB3 ASN A 15 27.575 10.329 6.826 1.00 0.00 H new ATOM 0 HD21 ASN A 15 27.986 11.692 10.057 1.00 0.00 H new ATOM 0 HD22 ASN A 15 26.933 10.940 8.855 1.00 0.00 H new ATOM 260 N PHE A 16 29.971 7.158 6.505 1.00 0.00 N ATOM 261 CA PHE A 16 30.039 5.818 7.158 1.00 0.00 C ATOM 262 C PHE A 16 31.115 5.679 8.291 1.00 0.00 C ATOM 263 O PHE A 16 30.766 5.205 9.374 1.00 0.00 O ATOM 264 CB PHE A 16 30.108 4.739 6.038 1.00 0.00 C ATOM 265 CG PHE A 16 29.854 3.263 6.423 1.00 0.00 C ATOM 266 CD1 PHE A 16 28.877 2.887 7.355 1.00 0.00 C ATOM 267 CD2 PHE A 16 30.572 2.262 5.760 1.00 0.00 C ATOM 268 CE1 PHE A 16 28.663 1.544 7.655 1.00 0.00 C ATOM 269 CE2 PHE A 16 30.342 0.918 6.043 1.00 0.00 C ATOM 270 CZ PHE A 16 29.396 0.561 6.998 1.00 0.00 C ATOM 0 H PHE A 16 30.282 7.156 5.534 1.00 0.00 H new ATOM 0 HA PHE A 16 29.128 5.663 7.736 1.00 0.00 H new ATOM 0 HB2 PHE A 16 29.384 5.011 5.270 1.00 0.00 H new ATOM 0 HB3 PHE A 16 31.096 4.798 5.581 1.00 0.00 H new ATOM 0 HD1 PHE A 16 28.285 3.646 7.845 1.00 0.00 H new ATOM 0 HD2 PHE A 16 31.312 2.534 5.022 1.00 0.00 H new ATOM 0 HE1 PHE A 16 27.929 1.266 8.397 1.00 0.00 H new ATOM 0 HE2 PHE A 16 30.898 0.153 5.521 1.00 0.00 H new ATOM 0 HZ PHE A 16 29.230 -0.481 7.230 1.00 0.00 H new ATOM 280 N GLU A 17 32.364 6.161 8.102 1.00 0.00 N ATOM 281 CA GLU A 17 33.352 6.381 9.211 1.00 0.00 C ATOM 282 C GLU A 17 32.819 7.043 10.529 1.00 0.00 C ATOM 283 O GLU A 17 33.076 6.504 11.609 1.00 0.00 O ATOM 284 CB GLU A 17 34.555 7.205 8.660 1.00 0.00 C ATOM 285 CG GLU A 17 35.615 6.400 7.873 1.00 0.00 C ATOM 286 CD GLU A 17 36.488 7.269 6.972 1.00 0.00 C ATOM 287 OE1 GLU A 17 37.619 7.633 7.274 1.00 0.00 O ATOM 288 OE2 GLU A 17 35.856 7.600 5.806 1.00 0.00 O ATOM 0 H GLU A 17 32.726 6.412 7.182 1.00 0.00 H new ATOM 0 HA GLU A 17 33.634 5.376 9.525 1.00 0.00 H new ATOM 0 HB2 GLU A 17 34.167 7.991 8.012 1.00 0.00 H new ATOM 0 HB3 GLU A 17 35.048 7.698 9.498 1.00 0.00 H new ATOM 0 HG2 GLU A 17 36.252 5.865 8.578 1.00 0.00 H new ATOM 0 HG3 GLU A 17 35.112 5.649 7.264 1.00 0.00 H new ATOM 296 N GLU A 18 32.101 8.183 10.460 1.00 0.00 N ATOM 297 CA GLU A 18 31.513 8.843 11.659 1.00 0.00 C ATOM 298 C GLU A 18 30.288 8.104 12.307 1.00 0.00 C ATOM 299 O GLU A 18 30.201 8.046 13.536 1.00 0.00 O ATOM 300 CB GLU A 18 31.207 10.318 11.280 1.00 0.00 C ATOM 301 CG GLU A 18 31.236 11.316 12.463 1.00 0.00 C ATOM 302 CD GLU A 18 32.619 11.692 13.007 1.00 0.00 C ATOM 303 OE1 GLU A 18 33.683 11.293 12.538 1.00 0.00 O ATOM 304 OE2 GLU A 18 32.525 12.515 14.092 1.00 0.00 O ATOM 0 H GLU A 18 31.910 8.672 9.586 1.00 0.00 H new ATOM 0 HA GLU A 18 32.248 8.798 12.462 1.00 0.00 H new ATOM 0 HB2 GLU A 18 31.930 10.643 10.532 1.00 0.00 H new ATOM 0 HB3 GLU A 18 30.224 10.361 10.812 1.00 0.00 H new ATOM 0 HG2 GLU A 18 30.732 12.231 12.150 1.00 0.00 H new ATOM 0 HG3 GLU A 18 30.651 10.894 13.280 1.00 0.00 H new ATOM 312 N TYR A 19 29.371 7.507 11.516 1.00 0.00 N ATOM 313 CA TYR A 19 28.400 6.479 12.015 1.00 0.00 C ATOM 314 C TYR A 19 29.052 5.259 12.757 1.00 0.00 C ATOM 315 O TYR A 19 28.605 4.897 13.846 1.00 0.00 O ATOM 316 CB TYR A 19 27.511 6.075 10.803 1.00 0.00 C ATOM 317 CG TYR A 19 26.562 4.874 10.994 1.00 0.00 C ATOM 318 CD1 TYR A 19 25.330 5.016 11.634 1.00 0.00 C ATOM 319 CD2 TYR A 19 26.976 3.602 10.575 1.00 0.00 C ATOM 320 CE1 TYR A 19 24.523 3.899 11.853 1.00 0.00 C ATOM 321 CE2 TYR A 19 26.163 2.492 10.788 1.00 0.00 C ATOM 322 CZ TYR A 19 24.937 2.643 11.424 1.00 0.00 C ATOM 323 OH TYR A 19 24.132 1.556 11.640 1.00 0.00 O ATOM 0 H TYR A 19 29.274 7.713 10.522 1.00 0.00 H new ATOM 0 HA TYR A 19 27.790 6.914 12.807 1.00 0.00 H new ATOM 0 HB2 TYR A 19 26.909 6.940 10.522 1.00 0.00 H new ATOM 0 HB3 TYR A 19 28.167 5.856 9.961 1.00 0.00 H new ATOM 0 HD1 TYR A 19 25.001 5.992 11.960 1.00 0.00 H new ATOM 0 HD2 TYR A 19 27.931 3.482 10.084 1.00 0.00 H new ATOM 0 HE1 TYR A 19 23.574 4.010 12.357 1.00 0.00 H new ATOM 0 HE2 TYR A 19 26.485 1.515 10.459 1.00 0.00 H new ATOM 0 HH TYR A 19 24.563 0.753 11.280 1.00 0.00 H new ATOM 333 N LEU A 20 30.104 4.647 12.189 1.00 0.00 N ATOM 334 CA LEU A 20 30.914 3.610 12.883 1.00 0.00 C ATOM 335 C LEU A 20 31.651 4.111 14.180 1.00 0.00 C ATOM 336 O LEU A 20 31.592 3.423 15.202 1.00 0.00 O ATOM 337 CB LEU A 20 31.870 2.971 11.838 1.00 0.00 C ATOM 338 CG LEU A 20 31.241 2.214 10.632 1.00 0.00 C ATOM 339 CD1 LEU A 20 32.309 1.911 9.570 1.00 0.00 C ATOM 340 CD2 LEU A 20 30.543 0.908 11.037 1.00 0.00 C ATOM 0 H LEU A 20 30.423 4.850 11.241 1.00 0.00 H new ATOM 0 HA LEU A 20 30.238 2.852 13.278 1.00 0.00 H new ATOM 0 HB2 LEU A 20 32.505 3.762 11.440 1.00 0.00 H new ATOM 0 HB3 LEU A 20 32.522 2.274 12.365 1.00 0.00 H new ATOM 0 HG LEU A 20 30.480 2.877 10.222 1.00 0.00 H new ATOM 0 HD11 LEU A 20 31.851 1.382 8.734 1.00 0.00 H new ATOM 0 HD12 LEU A 20 32.743 2.845 9.214 1.00 0.00 H new ATOM 0 HD13 LEU A 20 33.091 1.291 10.007 1.00 0.00 H new ATOM 0 HD21 LEU A 20 30.126 0.429 10.151 1.00 0.00 H new ATOM 0 HD22 LEU A 20 31.265 0.239 11.505 1.00 0.00 H new ATOM 0 HD23 LEU A 20 29.742 1.127 11.742 1.00 0.00 H new ATOM 352 N ARG A 21 32.258 5.319 14.193 1.00 0.00 N ATOM 353 CA ARG A 21 32.674 6.025 15.451 1.00 0.00 C ATOM 354 C ARG A 21 31.566 6.147 16.559 1.00 0.00 C ATOM 355 O ARG A 21 31.793 5.753 17.706 1.00 0.00 O ATOM 356 CB ARG A 21 33.194 7.428 15.043 1.00 0.00 C ATOM 357 CG ARG A 21 33.992 8.216 16.098 1.00 0.00 C ATOM 358 CD ARG A 21 33.892 9.718 15.778 1.00 0.00 C ATOM 359 NE ARG A 21 34.988 10.486 16.386 1.00 0.00 N ATOM 360 CZ ARG A 21 34.963 11.085 17.576 1.00 0.00 C ATOM 361 NH1 ARG A 21 33.969 10.991 18.433 1.00 0.00 N ATOM 362 NH2 ARG A 21 35.993 11.809 17.916 1.00 0.00 N ATOM 0 H ARG A 21 32.477 5.839 13.343 1.00 0.00 H new ATOM 0 HA ARG A 21 33.444 5.415 15.923 1.00 0.00 H new ATOM 0 HB2 ARG A 21 33.823 7.312 14.161 1.00 0.00 H new ATOM 0 HB3 ARG A 21 32.337 8.033 14.746 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.599 8.016 17.095 1.00 0.00 H new ATOM 0 HG3 ARG A 21 35.035 7.899 16.097 1.00 0.00 H new ATOM 0 HD2 ARG A 21 33.906 9.860 14.697 1.00 0.00 H new ATOM 0 HD3 ARG A 21 32.937 10.102 16.137 1.00 0.00 H new ATOM 0 HE ARG A 21 35.849 10.568 15.846 1.00 0.00 H new ATOM 0 HH11 ARG A 21 33.148 10.431 18.203 1.00 0.00 H new ATOM 0 HH12 ARG A 21 34.019 11.478 19.328 1.00 0.00 H new ATOM 0 HH21 ARG A 21 36.784 11.902 17.278 1.00 0.00 H new ATOM 0 HH22 ARG A 21 36.008 12.282 18.820 1.00 0.00 H new ATOM 376 N ALA A 22 30.363 6.635 16.195 1.00 0.00 N ATOM 377 CA ALA A 22 29.150 6.568 17.051 1.00 0.00 C ATOM 378 C ALA A 22 28.652 5.159 17.519 1.00 0.00 C ATOM 379 O ALA A 22 27.997 5.081 18.561 1.00 0.00 O ATOM 380 CB ALA A 22 28.054 7.308 16.265 1.00 0.00 C ATOM 0 H ALA A 22 30.200 7.089 15.297 1.00 0.00 H new ATOM 0 HA ALA A 22 29.410 7.021 18.007 1.00 0.00 H new ATOM 0 HB1 ALA A 22 27.127 7.299 16.838 1.00 0.00 H new ATOM 0 HB2 ALA A 22 28.363 8.339 16.092 1.00 0.00 H new ATOM 0 HB3 ALA A 22 27.894 6.811 15.308 1.00 0.00 H new ATOM 386 N LEU A 23 28.987 4.061 16.813 1.00 0.00 N ATOM 387 CA LEU A 23 28.823 2.676 17.346 1.00 0.00 C ATOM 388 C LEU A 23 30.052 2.110 18.151 1.00 0.00 C ATOM 389 O LEU A 23 30.098 0.907 18.421 1.00 0.00 O ATOM 390 CB LEU A 23 28.434 1.752 16.155 1.00 0.00 C ATOM 391 CG LEU A 23 27.069 2.020 15.461 1.00 0.00 C ATOM 392 CD1 LEU A 23 26.919 1.135 14.217 1.00 0.00 C ATOM 393 CD2 LEU A 23 25.865 1.790 16.392 1.00 0.00 C ATOM 0 H LEU A 23 29.374 4.097 15.870 1.00 0.00 H new ATOM 0 HA LEU A 23 28.034 2.707 18.098 1.00 0.00 H new ATOM 0 HB2 LEU A 23 29.217 1.827 15.400 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.434 0.722 16.513 1.00 0.00 H new ATOM 0 HG LEU A 23 27.071 3.073 15.179 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.958 1.334 13.742 1.00 0.00 H new ATOM 0 HD12 LEU A 23 27.723 1.355 13.515 1.00 0.00 H new ATOM 0 HD13 LEU A 23 26.969 0.086 14.509 1.00 0.00 H new ATOM 0 HD21 LEU A 23 24.942 1.993 15.850 1.00 0.00 H new ATOM 0 HD22 LEU A 23 25.863 0.756 16.736 1.00 0.00 H new ATOM 0 HD23 LEU A 23 25.936 2.458 17.250 1.00 0.00 H new ATOM 405 N ASP A 24 31.033 2.947 18.560 1.00 0.00 N ATOM 406 CA ASP A 24 32.306 2.504 19.218 1.00 0.00 C ATOM 407 C ASP A 24 33.219 1.542 18.374 1.00 0.00 C ATOM 408 O ASP A 24 33.841 0.619 18.910 1.00 0.00 O ATOM 409 CB ASP A 24 32.043 2.019 20.676 1.00 0.00 C ATOM 410 CG ASP A 24 31.611 3.100 21.663 1.00 0.00 C ATOM 411 OD1 ASP A 24 30.482 3.187 22.132 1.00 0.00 O ATOM 412 OD2 ASP A 24 32.625 3.954 21.973 1.00 0.00 O ATOM 0 H ASP A 24 30.973 3.959 18.446 1.00 0.00 H new ATOM 0 HA ASP A 24 32.928 3.398 19.275 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.273 1.248 20.650 1.00 0.00 H new ATOM 0 HB3 ASP A 24 32.952 1.550 21.053 1.00 0.00 H new ATOM 418 N VAL A 25 33.354 1.797 17.060 1.00 0.00 N ATOM 419 CA VAL A 25 34.191 0.959 16.149 1.00 0.00 C ATOM 420 C VAL A 25 35.625 1.582 16.049 1.00 0.00 C ATOM 421 O VAL A 25 35.803 2.798 15.911 1.00 0.00 O ATOM 422 CB VAL A 25 33.476 0.792 14.764 1.00 0.00 C ATOM 423 CG1 VAL A 25 34.285 -0.017 13.726 1.00 0.00 C ATOM 424 CG2 VAL A 25 32.085 0.117 14.858 1.00 0.00 C ATOM 0 H VAL A 25 32.895 2.579 16.593 1.00 0.00 H new ATOM 0 HA VAL A 25 34.310 -0.048 16.548 1.00 0.00 H new ATOM 0 HB VAL A 25 33.377 1.826 14.434 1.00 0.00 H new ATOM 0 HG11 VAL A 25 33.719 -0.085 12.797 1.00 0.00 H new ATOM 0 HG12 VAL A 25 35.235 0.482 13.536 1.00 0.00 H new ATOM 0 HG13 VAL A 25 34.472 -1.019 14.111 1.00 0.00 H new ATOM 0 HG21 VAL A 25 31.652 0.036 13.861 1.00 0.00 H new ATOM 0 HG22 VAL A 25 32.192 -0.878 15.289 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.431 0.718 15.490 1.00 0.00 H new ATOM 434 N ASN A 26 36.659 0.725 16.084 1.00 0.00 N ATOM 435 CA ASN A 26 38.082 1.145 15.978 1.00 0.00 C ATOM 436 C ASN A 26 38.500 1.741 14.590 1.00 0.00 C ATOM 437 O ASN A 26 37.975 1.356 13.541 1.00 0.00 O ATOM 438 CB ASN A 26 38.957 -0.070 16.407 1.00 0.00 C ATOM 439 CG ASN A 26 38.770 -1.389 15.634 1.00 0.00 C ATOM 440 OD1 ASN A 26 37.843 -2.155 15.869 1.00 0.00 O ATOM 441 ND2 ASN A 26 39.614 -1.679 14.683 1.00 0.00 N ATOM 0 H ASN A 26 36.540 -0.283 16.187 1.00 0.00 H new ATOM 0 HA ASN A 26 38.241 1.991 16.646 1.00 0.00 H new ATOM 0 HB2 ASN A 26 40.004 0.223 16.324 1.00 0.00 H new ATOM 0 HB3 ASN A 26 38.764 -0.268 17.461 1.00 0.00 H new ATOM 0 HD21 ASN A 26 39.499 -2.537 14.143 1.00 0.00 H new ATOM 0 HD22 ASN A 26 40.389 -1.048 14.479 1.00 0.00 H new ATOM 448 N VAL A 27 39.488 2.657 14.600 1.00 0.00 N ATOM 449 CA VAL A 27 39.957 3.406 13.382 1.00 0.00 C ATOM 450 C VAL A 27 40.361 2.526 12.143 1.00 0.00 C ATOM 451 O VAL A 27 39.979 2.866 11.020 1.00 0.00 O ATOM 452 CB VAL A 27 41.024 4.478 13.818 1.00 0.00 C ATOM 453 CG1 VAL A 27 41.734 5.213 12.655 1.00 0.00 C ATOM 454 CG2 VAL A 27 40.418 5.592 14.711 1.00 0.00 C ATOM 0 H VAL A 27 39.995 2.911 15.448 1.00 0.00 H new ATOM 0 HA VAL A 27 39.094 3.927 12.968 1.00 0.00 H new ATOM 0 HB VAL A 27 41.750 3.869 14.356 1.00 0.00 H new ATOM 0 HG11 VAL A 27 42.449 5.929 13.060 1.00 0.00 H new ATOM 0 HG12 VAL A 27 42.259 4.488 12.033 1.00 0.00 H new ATOM 0 HG13 VAL A 27 40.994 5.740 12.052 1.00 0.00 H new ATOM 0 HG21 VAL A 27 41.197 6.304 14.983 1.00 0.00 H new ATOM 0 HG22 VAL A 27 39.629 6.108 14.164 1.00 0.00 H new ATOM 0 HG23 VAL A 27 40.001 5.147 15.615 1.00 0.00 H new ATOM 464 N ALA A 28 41.063 1.392 12.329 1.00 0.00 N ATOM 465 CA ALA A 28 41.303 0.412 11.231 1.00 0.00 C ATOM 466 C ALA A 28 40.019 -0.205 10.577 1.00 0.00 C ATOM 467 O ALA A 28 39.893 -0.161 9.353 1.00 0.00 O ATOM 468 CB ALA A 28 42.281 -0.654 11.760 1.00 0.00 C ATOM 0 H ALA A 28 41.476 1.125 13.222 1.00 0.00 H new ATOM 0 HA ALA A 28 41.740 0.954 10.392 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.477 -1.388 10.978 1.00 0.00 H new ATOM 0 HB2 ALA A 28 43.216 -0.177 12.053 1.00 0.00 H new ATOM 0 HB3 ALA A 28 41.843 -1.153 12.624 1.00 0.00 H new ATOM 474 N LEU A 29 39.051 -0.713 11.366 1.00 0.00 N ATOM 475 CA LEU A 29 37.721 -1.154 10.844 1.00 0.00 C ATOM 476 C LEU A 29 36.829 0.003 10.258 1.00 0.00 C ATOM 477 O LEU A 29 36.269 -0.174 9.174 1.00 0.00 O ATOM 478 CB LEU A 29 37.025 -2.007 11.946 1.00 0.00 C ATOM 479 CG LEU A 29 36.084 -3.152 11.480 1.00 0.00 C ATOM 480 CD1 LEU A 29 35.588 -3.941 12.704 1.00 0.00 C ATOM 481 CD2 LEU A 29 34.870 -2.698 10.653 1.00 0.00 C ATOM 0 H LEU A 29 39.157 -0.832 12.373 1.00 0.00 H new ATOM 0 HA LEU A 29 37.881 -1.775 9.963 1.00 0.00 H new ATOM 0 HB2 LEU A 29 37.802 -2.444 12.573 1.00 0.00 H new ATOM 0 HB3 LEU A 29 36.447 -1.333 12.578 1.00 0.00 H new ATOM 0 HG LEU A 29 36.687 -3.771 10.816 1.00 0.00 H new ATOM 0 HD11 LEU A 29 34.928 -4.744 12.376 1.00 0.00 H new ATOM 0 HD12 LEU A 29 36.441 -4.366 13.233 1.00 0.00 H new ATOM 0 HD13 LEU A 29 35.043 -3.273 13.371 1.00 0.00 H new ATOM 0 HD21 LEU A 29 34.274 -3.567 10.375 1.00 0.00 H new ATOM 0 HD22 LEU A 29 34.261 -2.015 11.245 1.00 0.00 H new ATOM 0 HD23 LEU A 29 35.213 -2.190 9.752 1.00 0.00 H new ATOM 493 N ARG A 30 36.756 1.195 10.898 1.00 0.00 N ATOM 494 CA ARG A 30 36.230 2.448 10.262 1.00 0.00 C ATOM 495 C ARG A 30 36.779 2.767 8.824 1.00 0.00 C ATOM 496 O ARG A 30 35.988 2.967 7.897 1.00 0.00 O ATOM 497 CB ARG A 30 36.478 3.667 11.198 1.00 0.00 C ATOM 498 CG ARG A 30 35.706 3.736 12.542 1.00 0.00 C ATOM 499 CD ARG A 30 36.069 4.953 13.422 1.00 0.00 C ATOM 500 NE ARG A 30 35.712 6.235 12.757 1.00 0.00 N ATOM 501 CZ ARG A 30 36.315 7.407 12.936 1.00 0.00 C ATOM 502 NH1 ARG A 30 37.362 7.598 13.704 1.00 0.00 N ATOM 503 NH2 ARG A 30 35.821 8.443 12.315 1.00 0.00 N ATOM 0 H ARG A 30 37.056 1.325 11.864 1.00 0.00 H new ATOM 0 HA ARG A 30 35.165 2.261 10.125 1.00 0.00 H new ATOM 0 HB2 ARG A 30 37.544 3.699 11.425 1.00 0.00 H new ATOM 0 HB3 ARG A 30 36.245 4.571 10.635 1.00 0.00 H new ATOM 0 HG2 ARG A 30 34.637 3.760 12.332 1.00 0.00 H new ATOM 0 HG3 ARG A 30 35.900 2.824 13.106 1.00 0.00 H new ATOM 0 HD2 ARG A 30 35.549 4.880 14.377 1.00 0.00 H new ATOM 0 HD3 ARG A 30 37.137 4.940 13.639 1.00 0.00 H new ATOM 0 HE ARG A 30 34.931 6.213 12.102 1.00 0.00 H new ATOM 0 HH11 ARG A 30 37.769 6.815 14.215 1.00 0.00 H new ATOM 0 HH12 ARG A 30 37.769 8.530 13.790 1.00 0.00 H new ATOM 0 HH21 ARG A 30 35.001 8.336 11.718 1.00 0.00 H new ATOM 0 HH22 ARG A 30 36.255 9.359 12.427 1.00 0.00 H new ATOM 517 N LYS A 31 38.115 2.780 8.639 1.00 0.00 N ATOM 518 CA LYS A 31 38.757 2.892 7.299 1.00 0.00 C ATOM 519 C LYS A 31 38.511 1.674 6.347 1.00 0.00 C ATOM 520 O LYS A 31 38.132 1.896 5.196 1.00 0.00 O ATOM 521 CB LYS A 31 40.270 3.221 7.484 1.00 0.00 C ATOM 522 CG LYS A 31 40.643 4.724 7.540 1.00 0.00 C ATOM 523 CD LYS A 31 39.963 5.525 8.672 1.00 0.00 C ATOM 524 CE LYS A 31 40.397 6.995 8.790 1.00 0.00 C ATOM 525 NZ LYS A 31 41.750 7.135 9.366 1.00 0.00 N ATOM 0 H LYS A 31 38.783 2.714 9.407 1.00 0.00 H new ATOM 0 HA LYS A 31 38.268 3.713 6.775 1.00 0.00 H new ATOM 0 HB2 LYS A 31 40.613 2.749 8.405 1.00 0.00 H new ATOM 0 HB3 LYS A 31 40.823 2.761 6.665 1.00 0.00 H new ATOM 0 HG2 LYS A 31 41.724 4.810 7.653 1.00 0.00 H new ATOM 0 HG3 LYS A 31 40.385 5.183 6.585 1.00 0.00 H new ATOM 0 HD2 LYS A 31 38.884 5.493 8.520 1.00 0.00 H new ATOM 0 HD3 LYS A 31 40.166 5.026 9.620 1.00 0.00 H new ATOM 0 HE2 LYS A 31 40.375 7.459 7.804 1.00 0.00 H new ATOM 0 HE3 LYS A 31 39.682 7.534 9.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 41.926 8.133 9.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 41.821 6.560 10.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 42.457 6.811 8.675 1.00 0.00 H new ATOM 538 N ILE A 32 38.675 0.410 6.800 1.00 0.00 N ATOM 539 CA ILE A 32 38.366 -0.814 5.986 1.00 0.00 C ATOM 540 C ILE A 32 36.891 -0.832 5.453 1.00 0.00 C ATOM 541 O ILE A 32 36.700 -0.860 4.236 1.00 0.00 O ATOM 542 CB ILE A 32 38.818 -2.107 6.771 1.00 0.00 C ATOM 543 CG1 ILE A 32 40.371 -2.221 6.888 1.00 0.00 C ATOM 544 CG2 ILE A 32 38.267 -3.442 6.197 1.00 0.00 C ATOM 545 CD1 ILE A 32 40.879 -3.150 8.008 1.00 0.00 C ATOM 0 H ILE A 32 39.023 0.198 7.735 1.00 0.00 H new ATOM 0 HA ILE A 32 38.954 -0.794 5.069 1.00 0.00 H new ATOM 0 HB ILE A 32 38.377 -1.966 7.758 1.00 0.00 H new ATOM 0 HG12 ILE A 32 40.766 -2.577 5.936 1.00 0.00 H new ATOM 0 HG13 ILE A 32 40.781 -1.224 7.051 1.00 0.00 H new ATOM 0 HG21 ILE A 32 38.630 -4.274 6.800 1.00 0.00 H new ATOM 0 HG22 ILE A 32 37.177 -3.425 6.219 1.00 0.00 H new ATOM 0 HG23 ILE A 32 38.607 -3.564 5.169 1.00 0.00 H new ATOM 0 HD11 ILE A 32 41.969 -3.160 8.006 1.00 0.00 H new ATOM 0 HD12 ILE A 32 40.522 -2.787 8.972 1.00 0.00 H new ATOM 0 HD13 ILE A 32 40.506 -4.160 7.840 1.00 0.00 H new ATOM 557 N ALA A 33 35.875 -0.767 6.335 1.00 0.00 N ATOM 558 CA ALA A 33 34.446 -0.703 5.930 1.00 0.00 C ATOM 559 C ALA A 33 33.985 0.476 5.012 1.00 0.00 C ATOM 560 O ALA A 33 33.154 0.254 4.127 1.00 0.00 O ATOM 561 CB ALA A 33 33.640 -0.780 7.240 1.00 0.00 C ATOM 0 H ALA A 33 36.014 -0.757 7.345 1.00 0.00 H new ATOM 0 HA ALA A 33 34.265 -1.538 5.253 1.00 0.00 H new ATOM 0 HB1 ALA A 33 32.574 -0.738 7.015 1.00 0.00 H new ATOM 0 HB2 ALA A 33 33.866 -1.715 7.752 1.00 0.00 H new ATOM 0 HB3 ALA A 33 33.908 0.059 7.882 1.00 0.00 H new ATOM 567 N ASN A 34 34.525 1.696 5.181 1.00 0.00 N ATOM 568 CA ASN A 34 34.288 2.821 4.230 1.00 0.00 C ATOM 569 C ASN A 34 35.030 2.724 2.850 1.00 0.00 C ATOM 570 O ASN A 34 34.496 3.224 1.855 1.00 0.00 O ATOM 571 CB ASN A 34 34.566 4.140 5.009 1.00 0.00 C ATOM 572 CG ASN A 34 33.988 5.479 4.515 1.00 0.00 C ATOM 573 OD1 ASN A 34 33.586 6.324 5.313 1.00 0.00 O ATOM 574 ND2 ASN A 34 34.001 5.793 3.244 1.00 0.00 N ATOM 0 H ASN A 34 35.131 1.938 5.965 1.00 0.00 H new ATOM 0 HA ASN A 34 33.250 2.781 3.899 1.00 0.00 H new ATOM 0 HB2 ASN A 34 34.209 3.992 6.028 1.00 0.00 H new ATOM 0 HB3 ASN A 34 35.648 4.258 5.065 1.00 0.00 H new ATOM 0 HD21 ASN A 34 33.684 6.715 2.943 1.00 0.00 H new ATOM 0 HD22 ASN A 34 34.328 5.116 2.555 1.00 0.00 H new ATOM 581 N LEU A 35 36.221 2.103 2.772 1.00 0.00 N ATOM 582 CA LEU A 35 36.925 1.848 1.477 1.00 0.00 C ATOM 583 C LEU A 35 36.299 0.741 0.561 1.00 0.00 C ATOM 584 O LEU A 35 36.385 0.851 -0.665 1.00 0.00 O ATOM 585 CB LEU A 35 38.423 1.537 1.777 1.00 0.00 C ATOM 586 CG LEU A 35 39.298 2.729 2.255 1.00 0.00 C ATOM 587 CD1 LEU A 35 40.639 2.225 2.816 1.00 0.00 C ATOM 588 CD2 LEU A 35 39.568 3.747 1.132 1.00 0.00 C ATOM 0 H LEU A 35 36.728 1.762 3.589 1.00 0.00 H new ATOM 0 HA LEU A 35 36.812 2.759 0.890 1.00 0.00 H new ATOM 0 HB2 LEU A 35 38.464 0.758 2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 35 38.873 1.124 0.874 1.00 0.00 H new ATOM 0 HG LEU A 35 38.734 3.234 3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 35 41.238 3.074 3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 35 40.454 1.562 3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 35 41.177 1.681 2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 35 40.183 4.560 1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 35 40.090 3.254 0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 35 38.622 4.149 0.770 1.00 0.00 H new ATOM 600 N LEU A 36 35.704 -0.321 1.134 1.00 0.00 N ATOM 601 CA LEU A 36 35.085 -1.432 0.357 1.00 0.00 C ATOM 602 C LEU A 36 33.664 -1.114 -0.220 1.00 0.00 C ATOM 603 O LEU A 36 32.887 -0.341 0.351 1.00 0.00 O ATOM 604 CB LEU A 36 35.197 -2.772 1.141 1.00 0.00 C ATOM 605 CG LEU A 36 34.619 -2.850 2.573 1.00 0.00 C ATOM 606 CD1 LEU A 36 33.088 -2.925 2.631 1.00 0.00 C ATOM 607 CD2 LEU A 36 35.250 -4.017 3.346 1.00 0.00 C ATOM 0 H LEU A 36 35.634 -0.441 2.144 1.00 0.00 H new ATOM 0 HA LEU A 36 35.669 -1.554 -0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 36 34.709 -3.544 0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 36 36.254 -3.034 1.197 1.00 0.00 H new ATOM 0 HG LEU A 36 34.884 -1.907 3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 36 32.765 -2.977 3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 36 32.662 -2.037 2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 36 32.747 -3.814 2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 36 34.831 -4.056 4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 36 35.039 -4.953 2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 36 36.329 -3.872 3.408 1.00 0.00 H new ATOM 619 N LYS A 37 33.326 -1.744 -1.360 1.00 0.00 N ATOM 620 CA LYS A 37 31.982 -1.619 -1.994 1.00 0.00 C ATOM 621 C LYS A 37 31.217 -2.982 -1.832 1.00 0.00 C ATOM 622 O LYS A 37 31.419 -3.871 -2.669 1.00 0.00 O ATOM 623 CB LYS A 37 32.131 -1.173 -3.480 1.00 0.00 C ATOM 624 CG LYS A 37 32.721 0.237 -3.732 1.00 0.00 C ATOM 625 CD LYS A 37 31.795 1.406 -3.338 1.00 0.00 C ATOM 626 CE LYS A 37 32.492 2.760 -3.531 1.00 0.00 C ATOM 627 NZ LYS A 37 31.570 3.865 -3.207 1.00 0.00 N ATOM 0 H LYS A 37 33.965 -2.352 -1.872 1.00 0.00 H new ATOM 0 HA LYS A 37 31.390 -0.848 -1.501 1.00 0.00 H new ATOM 0 HB2 LYS A 37 32.761 -1.901 -3.991 1.00 0.00 H new ATOM 0 HB3 LYS A 37 31.148 -1.218 -3.948 1.00 0.00 H new ATOM 0 HG2 LYS A 37 33.655 0.329 -3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 37 32.968 0.328 -4.790 1.00 0.00 H new ATOM 0 HD2 LYS A 37 30.887 1.373 -3.941 1.00 0.00 H new ATOM 0 HD3 LYS A 37 31.491 1.297 -2.297 1.00 0.00 H new ATOM 0 HE2 LYS A 37 33.374 2.816 -2.894 1.00 0.00 H new ATOM 0 HE3 LYS A 37 32.836 2.855 -4.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 32.104 4.755 -3.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 30.849 3.945 -3.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 31.106 3.674 -2.296 1.00 0.00 H new ATOM 640 N PRO A 38 30.357 -3.221 -0.794 1.00 0.00 N ATOM 641 CA PRO A 38 29.646 -4.514 -0.619 1.00 0.00 C ATOM 642 C PRO A 38 28.401 -4.700 -1.546 1.00 0.00 C ATOM 643 O PRO A 38 27.936 -3.781 -2.233 1.00 0.00 O ATOM 644 CB PRO A 38 29.310 -4.459 0.888 1.00 0.00 C ATOM 645 CG PRO A 38 29.076 -2.980 1.191 1.00 0.00 C ATOM 646 CD PRO A 38 30.081 -2.261 0.290 1.00 0.00 C ATOM 0 HA PRO A 38 30.237 -5.382 -0.911 1.00 0.00 H new ATOM 0 HB2 PRO A 38 28.425 -5.053 1.116 1.00 0.00 H new ATOM 0 HB3 PRO A 38 30.126 -4.860 1.489 1.00 0.00 H new ATOM 0 HG2 PRO A 38 28.052 -2.682 0.966 1.00 0.00 H new ATOM 0 HG3 PRO A 38 29.249 -2.755 2.243 1.00 0.00 H new ATOM 0 HD2 PRO A 38 29.670 -1.330 -0.100 1.00 0.00 H new ATOM 0 HD3 PRO A 38 30.990 -2.005 0.834 1.00 0.00 H new ATOM 654 N ASP A 39 27.865 -5.927 -1.534 1.00 0.00 N ATOM 655 CA ASP A 39 26.646 -6.289 -2.301 1.00 0.00 C ATOM 656 C ASP A 39 25.495 -6.700 -1.331 1.00 0.00 C ATOM 657 O ASP A 39 25.662 -7.588 -0.493 1.00 0.00 O ATOM 658 CB ASP A 39 26.967 -7.434 -3.294 1.00 0.00 C ATOM 659 CG ASP A 39 27.915 -7.088 -4.447 1.00 0.00 C ATOM 660 OD1 ASP A 39 27.966 -5.996 -5.003 1.00 0.00 O ATOM 661 OD2 ASP A 39 28.679 -8.155 -4.820 1.00 0.00 O ATOM 0 H ASP A 39 28.256 -6.701 -0.997 1.00 0.00 H new ATOM 0 HA ASP A 39 26.314 -5.421 -2.870 1.00 0.00 H new ATOM 0 HB2 ASP A 39 27.399 -8.262 -2.733 1.00 0.00 H new ATOM 0 HB3 ASP A 39 26.029 -7.792 -3.718 1.00 0.00 H new ATOM 667 N LYS A 40 24.308 -6.093 -1.469 1.00 0.00 N ATOM 668 CA LYS A 40 23.092 -6.545 -0.740 1.00 0.00 C ATOM 669 C LYS A 40 22.316 -7.582 -1.604 1.00 0.00 C ATOM 670 O LYS A 40 21.751 -7.244 -2.646 1.00 0.00 O ATOM 671 CB LYS A 40 22.204 -5.336 -0.346 1.00 0.00 C ATOM 672 CG LYS A 40 22.637 -4.603 0.941 1.00 0.00 C ATOM 673 CD LYS A 40 21.684 -3.431 1.253 1.00 0.00 C ATOM 674 CE LYS A 40 22.052 -2.595 2.485 1.00 0.00 C ATOM 675 NZ LYS A 40 21.846 -3.333 3.746 1.00 0.00 N ATOM 0 H LYS A 40 24.154 -5.288 -2.076 1.00 0.00 H new ATOM 0 HA LYS A 40 23.390 -7.034 0.187 1.00 0.00 H new ATOM 0 HB2 LYS A 40 22.201 -4.622 -1.170 1.00 0.00 H new ATOM 0 HB3 LYS A 40 21.178 -5.683 -0.221 1.00 0.00 H new ATOM 0 HG2 LYS A 40 22.646 -5.302 1.777 1.00 0.00 H new ATOM 0 HG3 LYS A 40 23.655 -4.229 0.827 1.00 0.00 H new ATOM 0 HD2 LYS A 40 21.649 -2.772 0.385 1.00 0.00 H new ATOM 0 HD3 LYS A 40 20.679 -3.829 1.392 1.00 0.00 H new ATOM 0 HE2 LYS A 40 23.095 -2.287 2.414 1.00 0.00 H new ATOM 0 HE3 LYS A 40 21.451 -1.686 2.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 22.172 -2.753 4.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 20.835 -3.546 3.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 22.386 -4.221 3.721 1.00 0.00 H new ATOM 688 N GLU A 41 22.261 -8.843 -1.155 1.00 0.00 N ATOM 689 CA GLU A 41 21.300 -9.841 -1.697 1.00 0.00 C ATOM 690 C GLU A 41 20.028 -9.857 -0.800 1.00 0.00 C ATOM 691 O GLU A 41 20.083 -10.256 0.369 1.00 0.00 O ATOM 692 CB GLU A 41 21.975 -11.228 -1.812 1.00 0.00 C ATOM 693 CG GLU A 41 21.138 -12.249 -2.625 1.00 0.00 C ATOM 694 CD GLU A 41 21.805 -13.615 -2.733 1.00 0.00 C ATOM 695 OE1 GLU A 41 22.486 -13.960 -3.695 1.00 0.00 O ATOM 696 OE2 GLU A 41 21.563 -14.393 -1.636 1.00 0.00 O ATOM 0 H GLU A 41 22.866 -9.206 -0.418 1.00 0.00 H new ATOM 0 HA GLU A 41 20.991 -9.566 -2.706 1.00 0.00 H new ATOM 0 HB2 GLU A 41 22.951 -11.112 -2.282 1.00 0.00 H new ATOM 0 HB3 GLU A 41 22.148 -11.625 -0.812 1.00 0.00 H new ATOM 0 HG2 GLU A 41 20.161 -12.364 -2.156 1.00 0.00 H new ATOM 0 HG3 GLU A 41 20.967 -11.854 -3.627 1.00 0.00 H new ATOM 704 N ILE A 42 18.893 -9.401 -1.352 1.00 0.00 N ATOM 705 CA ILE A 42 17.631 -9.240 -0.572 1.00 0.00 C ATOM 706 C ILE A 42 16.609 -10.308 -1.072 1.00 0.00 C ATOM 707 O ILE A 42 16.180 -10.288 -2.231 1.00 0.00 O ATOM 708 CB ILE A 42 17.074 -7.771 -0.596 1.00 0.00 C ATOM 709 CG1 ILE A 42 18.122 -6.720 -0.123 1.00 0.00 C ATOM 710 CG2 ILE A 42 15.780 -7.661 0.262 1.00 0.00 C ATOM 711 CD1 ILE A 42 17.724 -5.244 -0.267 1.00 0.00 C ATOM 0 H ILE A 42 18.811 -9.134 -2.333 1.00 0.00 H new ATOM 0 HA ILE A 42 17.833 -9.416 0.485 1.00 0.00 H new ATOM 0 HB ILE A 42 16.840 -7.544 -1.636 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.348 -6.912 0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 42 19.043 -6.881 -0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.410 -6.636 0.233 1.00 0.00 H new ATOM 0 HG22 ILE A 42 15.020 -8.333 -0.138 1.00 0.00 H new ATOM 0 HG23 ILE A 42 16.002 -7.937 1.293 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.534 -4.612 0.095 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.530 -5.020 -1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 42 16.824 -5.051 0.317 1.00 0.00 H new ATOM 723 N VAL A 43 16.178 -11.193 -0.158 1.00 0.00 N ATOM 724 CA VAL A 43 15.006 -12.090 -0.384 1.00 0.00 C ATOM 725 C VAL A 43 13.804 -11.462 0.397 1.00 0.00 C ATOM 726 O VAL A 43 13.689 -11.643 1.612 1.00 0.00 O ATOM 727 CB VAL A 43 15.343 -13.568 0.024 1.00 0.00 C ATOM 728 CG1 VAL A 43 14.139 -14.530 -0.114 1.00 0.00 C ATOM 729 CG2 VAL A 43 16.508 -14.186 -0.787 1.00 0.00 C ATOM 0 H VAL A 43 16.619 -11.315 0.753 1.00 0.00 H new ATOM 0 HA VAL A 43 14.738 -12.160 -1.438 1.00 0.00 H new ATOM 0 HB VAL A 43 15.631 -13.473 1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 43 14.440 -15.534 0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 43 13.326 -14.190 0.527 1.00 0.00 H new ATOM 0 HG13 VAL A 43 13.802 -14.544 -1.150 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.684 -15.208 -0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.251 -14.192 -1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 43 17.411 -13.594 -0.636 1.00 0.00 H new ATOM 739 N GLN A 44 12.919 -10.725 -0.302 1.00 0.00 N ATOM 740 CA GLN A 44 11.678 -10.151 0.295 1.00 0.00 C ATOM 741 C GLN A 44 10.466 -11.098 0.023 1.00 0.00 C ATOM 742 O GLN A 44 10.039 -11.264 -1.123 1.00 0.00 O ATOM 743 CB GLN A 44 11.496 -8.713 -0.281 1.00 0.00 C ATOM 744 CG GLN A 44 10.400 -7.822 0.375 1.00 0.00 C ATOM 745 CD GLN A 44 9.006 -7.839 -0.277 1.00 0.00 C ATOM 746 OE1 GLN A 44 8.364 -8.869 -0.433 1.00 0.00 O ATOM 747 NE2 GLN A 44 8.448 -6.709 -0.641 1.00 0.00 N ATOM 0 H GLN A 44 13.035 -10.507 -1.292 1.00 0.00 H new ATOM 0 HA GLN A 44 11.748 -10.072 1.380 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.450 -8.192 -0.199 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.271 -8.800 -1.344 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.292 -8.129 1.415 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.759 -6.793 0.382 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.953 -5.830 -0.526 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.509 -6.709 -1.039 1.00 0.00 H new ATOM 756 N ASP A 45 9.900 -11.707 1.077 1.00 0.00 N ATOM 757 CA ASP A 45 8.628 -12.478 0.986 1.00 0.00 C ATOM 758 C ASP A 45 7.513 -11.796 1.854 1.00 0.00 C ATOM 759 O ASP A 45 7.022 -12.387 2.826 1.00 0.00 O ATOM 760 CB ASP A 45 8.992 -13.938 1.385 1.00 0.00 C ATOM 761 CG ASP A 45 7.901 -14.984 1.165 1.00 0.00 C ATOM 762 OD1 ASP A 45 7.977 -15.869 0.319 1.00 0.00 O ATOM 763 OD2 ASP A 45 6.850 -14.825 2.025 1.00 0.00 O ATOM 0 H ASP A 45 10.300 -11.685 2.015 1.00 0.00 H new ATOM 0 HA ASP A 45 8.195 -12.494 -0.014 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.875 -14.238 0.821 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.269 -13.947 2.439 1.00 0.00 H new ATOM 769 N GLY A 46 7.103 -10.565 1.486 1.00 0.00 N ATOM 770 CA GLY A 46 6.070 -9.785 2.218 1.00 0.00 C ATOM 771 C GLY A 46 6.456 -9.332 3.641 1.00 0.00 C ATOM 772 O GLY A 46 7.150 -8.329 3.833 1.00 0.00 O ATOM 0 H GLY A 46 7.477 -10.078 0.671 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.824 -8.901 1.630 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.164 -10.388 2.282 1.00 0.00 H new ATOM 776 N ASP A 47 5.993 -10.114 4.622 1.00 0.00 N ATOM 777 CA ASP A 47 6.420 -9.994 6.044 1.00 0.00 C ATOM 778 C ASP A 47 7.827 -10.588 6.386 1.00 0.00 C ATOM 779 O ASP A 47 8.565 -9.957 7.140 1.00 0.00 O ATOM 780 CB ASP A 47 5.287 -10.488 6.990 1.00 0.00 C ATOM 781 CG ASP A 47 4.690 -11.881 6.731 1.00 0.00 C ATOM 782 OD1 ASP A 47 3.755 -12.068 5.958 1.00 0.00 O ATOM 783 OD2 ASP A 47 5.320 -12.872 7.423 1.00 0.00 O ATOM 0 H ASP A 47 5.309 -10.854 4.465 1.00 0.00 H new ATOM 0 HA ASP A 47 6.578 -8.930 6.220 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.673 -10.474 8.009 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.475 -9.763 6.946 1.00 0.00 H new ATOM 789 N HIS A 48 8.219 -11.765 5.869 1.00 0.00 N ATOM 790 CA HIS A 48 9.589 -12.315 6.084 1.00 0.00 C ATOM 791 C HIS A 48 10.607 -11.729 5.055 1.00 0.00 C ATOM 792 O HIS A 48 10.415 -11.868 3.844 1.00 0.00 O ATOM 793 CB HIS A 48 9.509 -13.865 6.036 1.00 0.00 C ATOM 794 CG HIS A 48 10.790 -14.635 6.387 1.00 0.00 C ATOM 795 ND1 HIS A 48 11.116 -15.839 5.781 1.00 0.00 N ATOM 796 CD2 HIS A 48 11.782 -14.274 7.325 1.00 0.00 C ATOM 797 CE1 HIS A 48 12.307 -16.094 6.413 1.00 0.00 C ATOM 798 NE2 HIS A 48 12.790 -15.218 7.348 1.00 0.00 N ATOM 0 H HIS A 48 7.617 -12.360 5.300 1.00 0.00 H new ATOM 0 HA HIS A 48 9.962 -12.016 7.064 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.722 -14.186 6.718 1.00 0.00 H new ATOM 0 HB3 HIS A 48 9.200 -14.158 5.033 1.00 0.00 H new ATOM 0 HD2 HIS A 48 11.756 -13.385 7.938 1.00 0.00 H new ATOM 0 HE1 HIS A 48 12.864 -16.987 6.173 1.00 0.00 H new ATOM 0 HE2 HIS A 48 13.646 -15.253 7.901 1.00 0.00 H new ATOM 806 N MET A 49 11.693 -11.092 5.527 1.00 0.00 N ATOM 807 CA MET A 49 12.728 -10.505 4.634 1.00 0.00 C ATOM 808 C MET A 49 14.173 -10.782 5.158 1.00 0.00 C ATOM 809 O MET A 49 14.497 -10.575 6.333 1.00 0.00 O ATOM 810 CB MET A 49 12.370 -9.017 4.393 1.00 0.00 C ATOM 811 CG MET A 49 13.335 -8.212 3.493 1.00 0.00 C ATOM 812 SD MET A 49 12.545 -6.809 2.662 1.00 0.00 S ATOM 813 CE MET A 49 11.469 -6.081 3.911 1.00 0.00 C ATOM 0 H MET A 49 11.884 -10.966 6.521 1.00 0.00 H new ATOM 0 HA MET A 49 12.730 -10.991 3.658 1.00 0.00 H new ATOM 0 HB2 MET A 49 11.375 -8.973 3.951 1.00 0.00 H new ATOM 0 HB3 MET A 49 12.311 -8.519 5.361 1.00 0.00 H new ATOM 0 HG2 MET A 49 14.164 -7.846 4.099 1.00 0.00 H new ATOM 0 HG3 MET A 49 13.759 -8.878 2.741 1.00 0.00 H new ATOM 0 HE1 MET A 49 11.188 -5.073 3.606 1.00 0.00 H new ATOM 0 HE2 MET A 49 10.572 -6.691 4.019 1.00 0.00 H new ATOM 0 HE3 MET A 49 11.995 -6.038 4.865 1.00 0.00 H new ATOM 823 N ILE A 50 15.039 -11.262 4.245 1.00 0.00 N ATOM 824 CA ILE A 50 16.464 -11.579 4.548 1.00 0.00 C ATOM 825 C ILE A 50 17.344 -10.596 3.706 1.00 0.00 C ATOM 826 O ILE A 50 17.464 -10.757 2.487 1.00 0.00 O ATOM 827 CB ILE A 50 16.789 -13.099 4.295 1.00 0.00 C ATOM 828 CG1 ILE A 50 15.897 -14.095 5.101 1.00 0.00 C ATOM 829 CG2 ILE A 50 18.281 -13.419 4.586 1.00 0.00 C ATOM 830 CD1 ILE A 50 15.877 -15.532 4.546 1.00 0.00 C ATOM 0 H ILE A 50 14.779 -11.444 3.276 1.00 0.00 H new ATOM 0 HA ILE A 50 16.683 -11.433 5.606 1.00 0.00 H new ATOM 0 HB ILE A 50 16.566 -13.247 3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 50 16.248 -14.123 6.133 1.00 0.00 H new ATOM 0 HG13 ILE A 50 14.876 -13.713 5.121 1.00 0.00 H new ATOM 0 HG21 ILE A 50 18.469 -14.477 4.401 1.00 0.00 H new ATOM 0 HG22 ILE A 50 18.916 -12.818 3.935 1.00 0.00 H new ATOM 0 HG23 ILE A 50 18.507 -13.187 5.627 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.233 -16.153 5.168 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.496 -15.522 3.525 1.00 0.00 H new ATOM 0 HD13 ILE A 50 16.888 -15.938 4.552 1.00 0.00 H new ATOM 842 N ILE A 51 17.981 -9.610 4.363 1.00 0.00 N ATOM 843 CA ILE A 51 18.962 -8.685 3.710 1.00 0.00 C ATOM 844 C ILE A 51 20.397 -9.229 4.030 1.00 0.00 C ATOM 845 O ILE A 51 20.890 -9.068 5.152 1.00 0.00 O ATOM 846 CB ILE A 51 18.748 -7.193 4.175 1.00 0.00 C ATOM 847 CG1 ILE A 51 17.328 -6.619 3.873 1.00 0.00 C ATOM 848 CG2 ILE A 51 19.827 -6.236 3.594 1.00 0.00 C ATOM 849 CD1 ILE A 51 16.978 -5.305 4.598 1.00 0.00 C ATOM 0 H ILE A 51 17.841 -9.422 5.356 1.00 0.00 H new ATOM 0 HA ILE A 51 18.818 -8.664 2.630 1.00 0.00 H new ATOM 0 HB ILE A 51 18.849 -7.240 5.259 1.00 0.00 H new ATOM 0 HG12 ILE A 51 17.242 -6.455 2.799 1.00 0.00 H new ATOM 0 HG13 ILE A 51 16.586 -7.371 4.142 1.00 0.00 H new ATOM 0 HG21 ILE A 51 19.638 -5.220 3.942 1.00 0.00 H new ATOM 0 HG22 ILE A 51 20.814 -6.556 3.927 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.786 -6.260 2.505 1.00 0.00 H new ATOM 0 HD11 ILE A 51 15.972 -4.993 4.319 1.00 0.00 H new ATOM 0 HD12 ILE A 51 17.024 -5.461 5.676 1.00 0.00 H new ATOM 0 HD13 ILE A 51 17.690 -4.531 4.312 1.00 0.00 H new ATOM 861 N ARG A 52 21.085 -9.837 3.046 1.00 0.00 N ATOM 862 CA ARG A 52 22.503 -10.271 3.213 1.00 0.00 C ATOM 863 C ARG A 52 23.469 -9.189 2.649 1.00 0.00 C ATOM 864 O ARG A 52 23.648 -9.080 1.433 1.00 0.00 O ATOM 865 CB ARG A 52 22.752 -11.666 2.579 1.00 0.00 C ATOM 866 CG ARG A 52 21.946 -12.824 3.213 1.00 0.00 C ATOM 867 CD ARG A 52 22.553 -14.213 2.959 1.00 0.00 C ATOM 868 NE ARG A 52 21.769 -15.227 3.707 1.00 0.00 N ATOM 869 CZ ARG A 52 21.805 -16.539 3.491 1.00 0.00 C ATOM 870 NH1 ARG A 52 22.519 -17.121 2.552 1.00 0.00 N ATOM 871 NH2 ARG A 52 21.081 -17.299 4.266 1.00 0.00 N ATOM 0 H ARG A 52 20.693 -10.043 2.127 1.00 0.00 H new ATOM 0 HA ARG A 52 22.707 -10.377 4.278 1.00 0.00 H new ATOM 0 HB2 ARG A 52 22.511 -11.614 1.517 1.00 0.00 H new ATOM 0 HB3 ARG A 52 23.814 -11.899 2.654 1.00 0.00 H new ATOM 0 HG2 ARG A 52 21.876 -12.659 4.288 1.00 0.00 H new ATOM 0 HG3 ARG A 52 20.929 -12.805 2.820 1.00 0.00 H new ATOM 0 HD2 ARG A 52 22.542 -14.440 1.893 1.00 0.00 H new ATOM 0 HD3 ARG A 52 23.595 -14.233 3.278 1.00 0.00 H new ATOM 0 HE ARG A 52 21.153 -14.891 4.447 1.00 0.00 H new ATOM 0 HH11 ARG A 52 23.097 -16.558 1.928 1.00 0.00 H new ATOM 0 HH12 ARG A 52 22.495 -18.135 2.448 1.00 0.00 H new ATOM 0 HH21 ARG A 52 20.515 -16.882 5.005 1.00 0.00 H new ATOM 0 HH22 ARG A 52 21.081 -18.310 4.133 1.00 0.00 H new ATOM 885 N THR A 53 24.102 -8.409 3.543 1.00 0.00 N ATOM 886 CA THR A 53 25.131 -7.396 3.162 1.00 0.00 C ATOM 887 C THR A 53 26.514 -8.120 3.068 1.00 0.00 C ATOM 888 O THR A 53 27.133 -8.464 4.081 1.00 0.00 O ATOM 889 CB THR A 53 25.149 -6.201 4.167 1.00 0.00 C ATOM 890 OG1 THR A 53 23.845 -5.668 4.376 1.00 0.00 O ATOM 891 CG2 THR A 53 26.010 -5.012 3.709 1.00 0.00 C ATOM 0 H THR A 53 23.924 -8.454 4.546 1.00 0.00 H new ATOM 0 HA THR A 53 24.892 -6.961 2.192 1.00 0.00 H new ATOM 0 HB THR A 53 25.568 -6.637 5.074 1.00 0.00 H new ATOM 0 HG1 THR A 53 23.894 -4.923 5.011 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.971 -4.223 4.461 1.00 0.00 H new ATOM 0 HG22 THR A 53 27.042 -5.339 3.579 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.629 -4.630 2.762 1.00 0.00 H new ATOM 899 N LEU A 54 26.950 -8.381 1.832 1.00 0.00 N ATOM 900 CA LEU A 54 28.080 -9.294 1.523 1.00 0.00 C ATOM 901 C LEU A 54 29.331 -8.450 1.147 1.00 0.00 C ATOM 902 O LEU A 54 29.310 -7.672 0.187 1.00 0.00 O ATOM 903 CB LEU A 54 27.624 -10.202 0.347 1.00 0.00 C ATOM 904 CG LEU A 54 26.512 -11.240 0.691 1.00 0.00 C ATOM 905 CD1 LEU A 54 25.438 -11.285 -0.410 1.00 0.00 C ATOM 906 CD2 LEU A 54 27.112 -12.640 0.876 1.00 0.00 C ATOM 0 H LEU A 54 26.530 -7.965 1.001 1.00 0.00 H new ATOM 0 HA LEU A 54 28.350 -9.914 2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.265 -9.566 -0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 54 28.493 -10.739 -0.032 1.00 0.00 H new ATOM 0 HG LEU A 54 26.047 -10.924 1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 54 24.675 -12.017 -0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 54 24.978 -10.302 -0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 54 25.899 -11.568 -1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 54 26.318 -13.347 1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 54 27.607 -12.948 -0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 54 27.838 -12.620 1.689 1.00 0.00 H new ATOM 918 N SER A 55 30.410 -8.574 1.929 1.00 0.00 N ATOM 919 CA SER A 55 31.597 -7.693 1.831 1.00 0.00 C ATOM 920 C SER A 55 32.873 -8.507 1.471 1.00 0.00 C ATOM 921 O SER A 55 32.969 -9.719 1.698 1.00 0.00 O ATOM 922 CB SER A 55 31.689 -6.995 3.213 1.00 0.00 C ATOM 923 OG SER A 55 32.796 -6.098 3.271 1.00 0.00 O ATOM 0 H SER A 55 30.492 -9.288 2.652 1.00 0.00 H new ATOM 0 HA SER A 55 31.511 -6.957 1.031 1.00 0.00 H new ATOM 0 HB2 SER A 55 30.766 -6.449 3.409 1.00 0.00 H new ATOM 0 HB3 SER A 55 31.787 -7.747 3.996 1.00 0.00 H new ATOM 0 HG SER A 55 32.826 -5.672 4.153 1.00 0.00 H new ATOM 929 N THR A 56 33.913 -7.810 0.986 1.00 0.00 N ATOM 930 CA THR A 56 35.304 -8.370 0.991 1.00 0.00 C ATOM 931 C THR A 56 35.955 -8.600 2.405 1.00 0.00 C ATOM 932 O THR A 56 36.888 -9.399 2.513 1.00 0.00 O ATOM 933 CB THR A 56 36.259 -7.544 0.074 1.00 0.00 C ATOM 934 OG1 THR A 56 36.327 -6.184 0.492 1.00 0.00 O ATOM 935 CG2 THR A 56 35.903 -7.548 -1.421 1.00 0.00 C ATOM 0 H THR A 56 33.836 -6.874 0.589 1.00 0.00 H new ATOM 0 HA THR A 56 35.174 -9.373 0.583 1.00 0.00 H new ATOM 0 HB THR A 56 37.217 -8.053 0.184 1.00 0.00 H new ATOM 0 HG1 THR A 56 36.933 -5.690 -0.099 1.00 0.00 H new ATOM 0 HG21 THR A 56 36.628 -6.946 -1.969 1.00 0.00 H new ATOM 0 HG22 THR A 56 35.923 -8.571 -1.797 1.00 0.00 H new ATOM 0 HG23 THR A 56 34.906 -7.130 -1.559 1.00 0.00 H new ATOM 943 N PHE A 57 35.460 -7.948 3.478 1.00 0.00 N ATOM 944 CA PHE A 57 35.842 -8.259 4.882 1.00 0.00 C ATOM 945 C PHE A 57 35.115 -9.539 5.424 1.00 0.00 C ATOM 946 O PHE A 57 35.786 -10.556 5.614 1.00 0.00 O ATOM 947 CB PHE A 57 35.641 -6.939 5.679 1.00 0.00 C ATOM 948 CG PHE A 57 36.219 -6.890 7.100 1.00 0.00 C ATOM 949 CD1 PHE A 57 37.605 -6.911 7.296 1.00 0.00 C ATOM 950 CD2 PHE A 57 35.375 -6.698 8.199 1.00 0.00 C ATOM 951 CE1 PHE A 57 38.139 -6.727 8.569 1.00 0.00 C ATOM 952 CE2 PHE A 57 35.910 -6.516 9.472 1.00 0.00 C ATOM 953 CZ PHE A 57 37.292 -6.522 9.653 1.00 0.00 C ATOM 0 H PHE A 57 34.783 -7.189 3.401 1.00 0.00 H new ATOM 0 HA PHE A 57 36.885 -8.556 4.987 1.00 0.00 H new ATOM 0 HB2 PHE A 57 36.084 -6.125 5.105 1.00 0.00 H new ATOM 0 HB3 PHE A 57 34.571 -6.740 5.741 1.00 0.00 H new ATOM 0 HD1 PHE A 57 38.264 -7.071 6.455 1.00 0.00 H new ATOM 0 HD2 PHE A 57 34.304 -6.691 8.060 1.00 0.00 H new ATOM 0 HE1 PHE A 57 39.209 -6.743 8.714 1.00 0.00 H new ATOM 0 HE2 PHE A 57 35.255 -6.370 10.318 1.00 0.00 H new ATOM 0 HZ PHE A 57 37.706 -6.367 10.638 1.00 0.00 H new ATOM 963 N ARG A 58 33.776 -9.533 5.634 1.00 0.00 N ATOM 964 CA ARG A 58 32.988 -10.793 5.802 1.00 0.00 C ATOM 965 C ARG A 58 31.503 -10.603 5.308 1.00 0.00 C ATOM 966 O ARG A 58 31.277 -10.405 4.112 1.00 0.00 O ATOM 967 CB ARG A 58 33.207 -11.406 7.228 1.00 0.00 C ATOM 968 CG ARG A 58 32.794 -12.895 7.340 1.00 0.00 C ATOM 969 CD ARG A 58 32.926 -13.455 8.766 1.00 0.00 C ATOM 970 NE ARG A 58 32.480 -14.872 8.779 1.00 0.00 N ATOM 971 CZ ARG A 58 32.438 -15.650 9.858 1.00 0.00 C ATOM 972 NH1 ARG A 58 32.797 -15.269 11.065 1.00 0.00 N ATOM 973 NH2 ARG A 58 32.011 -16.874 9.705 1.00 0.00 N ATOM 0 H ARG A 58 33.217 -8.682 5.692 1.00 0.00 H new ATOM 0 HA ARG A 58 33.364 -11.574 5.141 1.00 0.00 H new ATOM 0 HB2 ARG A 58 34.259 -11.309 7.497 1.00 0.00 H new ATOM 0 HB3 ARG A 58 32.638 -10.825 7.954 1.00 0.00 H new ATOM 0 HG2 ARG A 58 31.762 -13.005 7.008 1.00 0.00 H new ATOM 0 HG3 ARG A 58 33.411 -13.488 6.665 1.00 0.00 H new ATOM 0 HD2 ARG A 58 33.960 -13.384 9.103 1.00 0.00 H new ATOM 0 HD3 ARG A 58 32.324 -12.866 9.458 1.00 0.00 H new ATOM 0 HE ARG A 58 32.183 -15.280 7.893 1.00 0.00 H new ATOM 0 HH11 ARG A 58 33.135 -14.319 11.220 1.00 0.00 H new ATOM 0 HH12 ARG A 58 32.737 -15.923 11.845 1.00 0.00 H new ATOM 0 HH21 ARG A 58 31.725 -17.203 8.783 1.00 0.00 H new ATOM 0 HH22 ARG A 58 31.964 -17.502 10.508 1.00 0.00 H new ATOM 987 N ASN A 59 30.481 -10.726 6.180 1.00 0.00 N ATOM 988 CA ASN A 59 29.044 -10.819 5.781 1.00 0.00 C ATOM 989 C ASN A 59 28.143 -10.554 7.033 1.00 0.00 C ATOM 990 O ASN A 59 28.429 -11.046 8.130 1.00 0.00 O ATOM 991 CB ASN A 59 28.772 -12.219 5.153 1.00 0.00 C ATOM 992 CG ASN A 59 27.409 -12.439 4.486 1.00 0.00 C ATOM 993 OD1 ASN A 59 26.577 -11.553 4.310 1.00 0.00 O ATOM 994 ND2 ASN A 59 27.143 -13.656 4.079 1.00 0.00 N ATOM 0 H ASN A 59 30.621 -10.765 7.190 1.00 0.00 H new ATOM 0 HA ASN A 59 28.805 -10.065 5.031 1.00 0.00 H new ATOM 0 HB2 ASN A 59 29.546 -12.411 4.410 1.00 0.00 H new ATOM 0 HB3 ASN A 59 28.889 -12.968 5.936 1.00 0.00 H new ATOM 0 HD21 ASN A 59 26.254 -13.858 3.622 1.00 0.00 H new ATOM 0 HD22 ASN A 59 27.825 -14.401 4.219 1.00 0.00 H new ATOM 1001 N TYR A 60 27.050 -9.787 6.867 1.00 0.00 N ATOM 1002 CA TYR A 60 26.199 -9.341 8.019 1.00 0.00 C ATOM 1003 C TYR A 60 24.909 -10.196 8.275 1.00 0.00 C ATOM 1004 O TYR A 60 24.708 -10.649 9.402 1.00 0.00 O ATOM 1005 CB TYR A 60 25.921 -7.819 7.850 1.00 0.00 C ATOM 1006 CG TYR A 60 25.454 -7.093 9.125 1.00 0.00 C ATOM 1007 CD1 TYR A 60 26.394 -6.612 10.044 1.00 0.00 C ATOM 1008 CD2 TYR A 60 24.091 -6.904 9.378 1.00 0.00 C ATOM 1009 CE1 TYR A 60 25.975 -5.941 11.192 1.00 0.00 C ATOM 1010 CE2 TYR A 60 23.677 -6.238 10.532 1.00 0.00 C ATOM 1011 CZ TYR A 60 24.619 -5.753 11.433 1.00 0.00 C ATOM 1012 OH TYR A 60 24.208 -5.104 12.567 1.00 0.00 O ATOM 0 H TYR A 60 26.725 -9.458 5.958 1.00 0.00 H new ATOM 0 HA TYR A 60 26.758 -9.516 8.938 1.00 0.00 H new ATOM 0 HB2 TYR A 60 26.830 -7.338 7.489 1.00 0.00 H new ATOM 0 HB3 TYR A 60 25.163 -7.688 7.078 1.00 0.00 H new ATOM 0 HD1 TYR A 60 27.448 -6.761 9.863 1.00 0.00 H new ATOM 0 HD2 TYR A 60 23.357 -7.275 8.678 1.00 0.00 H new ATOM 0 HE1 TYR A 60 26.705 -5.567 11.895 1.00 0.00 H new ATOM 0 HE2 TYR A 60 22.624 -6.099 10.726 1.00 0.00 H new ATOM 0 HH TYR A 60 23.229 -5.057 12.580 1.00 0.00 H new ATOM 1022 N ILE A 61 24.024 -10.369 7.268 1.00 0.00 N ATOM 1023 CA ILE A 61 22.715 -11.090 7.407 1.00 0.00 C ATOM 1024 C ILE A 61 21.720 -10.421 8.431 1.00 0.00 C ATOM 1025 O ILE A 61 21.687 -10.777 9.613 1.00 0.00 O ATOM 1026 CB ILE A 61 22.828 -12.657 7.541 1.00 0.00 C ATOM 1027 CG1 ILE A 61 23.740 -13.352 6.479 1.00 0.00 C ATOM 1028 CG2 ILE A 61 21.439 -13.350 7.481 1.00 0.00 C ATOM 1029 CD1 ILE A 61 25.172 -13.622 6.954 1.00 0.00 C ATOM 0 H ILE A 61 24.188 -10.014 6.326 1.00 0.00 H new ATOM 0 HA ILE A 61 22.241 -10.955 6.435 1.00 0.00 H new ATOM 0 HB ILE A 61 23.293 -12.782 8.519 1.00 0.00 H new ATOM 0 HG12 ILE A 61 23.282 -14.297 6.188 1.00 0.00 H new ATOM 0 HG13 ILE A 61 23.778 -12.728 5.586 1.00 0.00 H new ATOM 0 HG21 ILE A 61 21.566 -14.428 7.577 1.00 0.00 H new ATOM 0 HG22 ILE A 61 20.814 -12.984 8.296 1.00 0.00 H new ATOM 0 HG23 ILE A 61 20.961 -13.125 6.528 1.00 0.00 H new ATOM 0 HD11 ILE A 61 25.735 -14.106 6.156 1.00 0.00 H new ATOM 0 HD12 ILE A 61 25.652 -12.679 7.217 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.149 -14.273 7.828 1.00 0.00 H new ATOM 1041 N MET A 62 20.830 -9.534 7.949 1.00 0.00 N ATOM 1042 CA MET A 62 19.589 -9.157 8.684 1.00 0.00 C ATOM 1043 C MET A 62 18.431 -10.103 8.231 1.00 0.00 C ATOM 1044 O MET A 62 17.753 -9.851 7.231 1.00 0.00 O ATOM 1045 CB MET A 62 19.265 -7.655 8.434 1.00 0.00 C ATOM 1046 CG MET A 62 20.010 -6.650 9.323 1.00 0.00 C ATOM 1047 SD MET A 62 19.396 -6.684 11.023 1.00 0.00 S ATOM 1048 CE MET A 62 18.036 -5.499 10.927 1.00 0.00 C ATOM 0 H MET A 62 20.940 -9.059 7.053 1.00 0.00 H new ATOM 0 HA MET A 62 19.722 -9.278 9.759 1.00 0.00 H new ATOM 0 HB2 MET A 62 19.488 -7.424 7.392 1.00 0.00 H new ATOM 0 HB3 MET A 62 18.194 -7.507 8.571 1.00 0.00 H new ATOM 0 HG2 MET A 62 21.076 -6.877 9.316 1.00 0.00 H new ATOM 0 HG3 MET A 62 19.895 -5.646 8.914 1.00 0.00 H new ATOM 0 HE1 MET A 62 17.559 -5.413 11.903 1.00 0.00 H new ATOM 0 HE2 MET A 62 18.422 -4.526 10.625 1.00 0.00 H new ATOM 0 HE3 MET A 62 17.305 -5.843 10.195 1.00 0.00 H new ATOM 1058 N ASP A 63 18.210 -11.194 8.984 1.00 0.00 N ATOM 1059 CA ASP A 63 17.108 -12.158 8.743 1.00 0.00 C ATOM 1060 C ASP A 63 15.915 -11.893 9.711 1.00 0.00 C ATOM 1061 O ASP A 63 16.047 -12.146 10.914 1.00 0.00 O ATOM 1062 CB ASP A 63 17.688 -13.597 8.846 1.00 0.00 C ATOM 1063 CG ASP A 63 18.517 -14.061 10.059 1.00 0.00 C ATOM 1064 OD1 ASP A 63 19.523 -14.753 9.941 1.00 0.00 O ATOM 1065 OD2 ASP A 63 18.016 -13.636 11.258 1.00 0.00 O ATOM 0 H ASP A 63 18.792 -11.439 9.785 1.00 0.00 H new ATOM 0 HA ASP A 63 16.695 -12.033 7.742 1.00 0.00 H new ATOM 0 HB2 ASP A 63 16.844 -14.282 8.762 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.311 -13.748 7.964 1.00 0.00 H new ATOM 1071 N PHE A 64 14.777 -11.372 9.220 1.00 0.00 N ATOM 1072 CA PHE A 64 13.727 -10.796 10.113 1.00 0.00 C ATOM 1073 C PHE A 64 12.272 -10.973 9.579 1.00 0.00 C ATOM 1074 O PHE A 64 11.995 -10.923 8.377 1.00 0.00 O ATOM 1075 CB PHE A 64 14.043 -9.301 10.444 1.00 0.00 C ATOM 1076 CG PHE A 64 14.160 -8.327 9.256 1.00 0.00 C ATOM 1077 CD1 PHE A 64 13.027 -7.755 8.672 1.00 0.00 C ATOM 1078 CD2 PHE A 64 15.415 -8.089 8.692 1.00 0.00 C ATOM 1079 CE1 PHE A 64 13.149 -6.977 7.525 1.00 0.00 C ATOM 1080 CE2 PHE A 64 15.534 -7.323 7.537 1.00 0.00 C ATOM 1081 CZ PHE A 64 14.401 -6.763 6.955 1.00 0.00 C ATOM 0 H PHE A 64 14.552 -11.332 8.226 1.00 0.00 H new ATOM 0 HA PHE A 64 13.762 -11.375 11.036 1.00 0.00 H new ATOM 0 HB2 PHE A 64 13.263 -8.930 11.110 1.00 0.00 H new ATOM 0 HB3 PHE A 64 14.979 -9.269 11.001 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.054 -7.917 9.112 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.299 -8.502 9.155 1.00 0.00 H new ATOM 0 HE1 PHE A 64 12.270 -6.538 7.076 1.00 0.00 H new ATOM 0 HE2 PHE A 64 16.505 -7.163 7.092 1.00 0.00 H new ATOM 0 HZ PHE A 64 14.493 -6.163 6.062 1.00 0.00 H new ATOM 1091 N GLN A 65 11.326 -11.086 10.522 1.00 0.00 N ATOM 1092 CA GLN A 65 9.885 -10.847 10.255 1.00 0.00 C ATOM 1093 C GLN A 65 9.536 -9.355 10.545 1.00 0.00 C ATOM 1094 O GLN A 65 9.727 -8.856 11.660 1.00 0.00 O ATOM 1095 CB GLN A 65 9.060 -11.816 11.143 1.00 0.00 C ATOM 1096 CG GLN A 65 8.872 -13.240 10.555 1.00 0.00 C ATOM 1097 CD GLN A 65 7.753 -13.388 9.519 1.00 0.00 C ATOM 1098 OE1 GLN A 65 7.378 -14.606 9.209 1.00 0.00 O flip ATOM 1099 NE2 GLN A 65 7.201 -12.435 8.977 1.00 0.00 N flip ATOM 0 H GLN A 65 11.528 -11.344 11.488 1.00 0.00 H new ATOM 0 HA GLN A 65 9.645 -11.038 9.209 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.548 -11.901 12.114 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.077 -11.378 11.318 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.811 -13.550 10.096 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.675 -13.929 11.376 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.483 -11.483 9.209 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.460 -12.595 8.295 1.00 0.00 H new ATOM 1108 N VAL A 66 8.991 -8.659 9.535 1.00 0.00 N ATOM 1109 CA VAL A 66 8.529 -7.245 9.647 1.00 0.00 C ATOM 1110 C VAL A 66 7.364 -7.127 10.695 1.00 0.00 C ATOM 1111 O VAL A 66 6.362 -7.848 10.626 1.00 0.00 O ATOM 1112 CB VAL A 66 8.132 -6.698 8.229 1.00 0.00 C ATOM 1113 CG1 VAL A 66 7.633 -5.238 8.258 1.00 0.00 C ATOM 1114 CG2 VAL A 66 9.272 -6.711 7.178 1.00 0.00 C ATOM 0 H VAL A 66 8.853 -9.055 8.605 1.00 0.00 H new ATOM 0 HA VAL A 66 9.343 -6.621 10.017 1.00 0.00 H new ATOM 0 HB VAL A 66 7.346 -7.396 7.941 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.375 -4.921 7.247 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.752 -5.167 8.896 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.419 -4.593 8.651 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.900 -6.315 6.233 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.098 -6.094 7.530 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.620 -7.733 7.031 1.00 0.00 H new ATOM 1124 N GLY A 67 7.543 -6.243 11.687 1.00 0.00 N ATOM 1125 CA GLY A 67 6.683 -6.204 12.901 1.00 0.00 C ATOM 1126 C GLY A 67 7.252 -6.851 14.190 1.00 0.00 C ATOM 1127 O GLY A 67 6.975 -6.340 15.277 1.00 0.00 O ATOM 0 H GLY A 67 8.279 -5.536 11.681 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.453 -5.161 13.119 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.740 -6.696 12.663 1.00 0.00 H new ATOM 1131 N LYS A 68 7.998 -7.969 14.104 1.00 0.00 N ATOM 1132 CA LYS A 68 8.525 -8.689 15.300 1.00 0.00 C ATOM 1133 C LYS A 68 9.827 -8.028 15.862 1.00 0.00 C ATOM 1134 O LYS A 68 10.790 -7.787 15.125 1.00 0.00 O ATOM 1135 CB LYS A 68 8.776 -10.187 14.966 1.00 0.00 C ATOM 1136 CG LYS A 68 7.524 -11.012 14.583 1.00 0.00 C ATOM 1137 CD LYS A 68 7.786 -12.532 14.568 1.00 0.00 C ATOM 1138 CE LYS A 68 6.642 -13.308 13.898 1.00 0.00 C ATOM 1139 NZ LYS A 68 6.964 -14.748 13.864 1.00 0.00 N ATOM 0 H LYS A 68 8.255 -8.402 13.217 1.00 0.00 H new ATOM 0 HA LYS A 68 7.766 -8.620 16.079 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.489 -10.241 14.143 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.248 -10.658 15.829 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.722 -10.794 15.288 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.176 -10.699 13.598 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.718 -12.734 14.040 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.915 -12.888 15.590 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.713 -13.147 14.445 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.484 -12.938 12.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.186 -15.267 13.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.840 -14.895 13.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.093 -15.098 14.835 1.00 0.00 H new ATOM 1152 N GLU A 69 9.861 -7.765 17.184 1.00 0.00 N ATOM 1153 CA GLU A 69 11.030 -7.121 17.844 1.00 0.00 C ATOM 1154 C GLU A 69 12.080 -8.180 18.322 1.00 0.00 C ATOM 1155 O GLU A 69 11.877 -8.865 19.329 1.00 0.00 O ATOM 1156 CB GLU A 69 10.507 -6.186 18.970 1.00 0.00 C ATOM 1157 CG GLU A 69 11.587 -5.213 19.504 1.00 0.00 C ATOM 1158 CD GLU A 69 11.059 -4.013 20.279 1.00 0.00 C ATOM 1159 OE1 GLU A 69 10.910 -3.992 21.496 1.00 0.00 O ATOM 1160 OE2 GLU A 69 10.806 -2.950 19.460 1.00 0.00 O ATOM 0 H GLU A 69 9.096 -7.986 17.821 1.00 0.00 H new ATOM 0 HA GLU A 69 11.578 -6.505 17.131 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.663 -5.610 18.592 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.135 -6.794 19.795 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.267 -5.770 20.149 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.174 -4.850 18.660 1.00 0.00 H new ATOM 1168 N PHE A 70 13.195 -8.314 17.582 1.00 0.00 N ATOM 1169 CA PHE A 70 14.226 -9.367 17.826 1.00 0.00 C ATOM 1170 C PHE A 70 15.538 -8.813 18.475 1.00 0.00 C ATOM 1171 O PHE A 70 15.977 -7.705 18.163 1.00 0.00 O ATOM 1172 CB PHE A 70 14.485 -10.130 16.488 1.00 0.00 C ATOM 1173 CG PHE A 70 15.300 -9.414 15.385 1.00 0.00 C ATOM 1174 CD1 PHE A 70 14.674 -8.569 14.462 1.00 0.00 C ATOM 1175 CD2 PHE A 70 16.686 -9.600 15.313 1.00 0.00 C ATOM 1176 CE1 PHE A 70 15.425 -7.914 13.488 1.00 0.00 C ATOM 1177 CE2 PHE A 70 17.432 -8.955 14.331 1.00 0.00 C ATOM 1178 CZ PHE A 70 16.801 -8.117 13.417 1.00 0.00 C ATOM 0 H PHE A 70 13.417 -7.702 16.797 1.00 0.00 H new ATOM 0 HA PHE A 70 13.841 -10.066 18.568 1.00 0.00 H new ATOM 0 HB2 PHE A 70 14.998 -11.061 16.729 1.00 0.00 H new ATOM 0 HB3 PHE A 70 13.517 -10.399 16.065 1.00 0.00 H new ATOM 0 HD1 PHE A 70 13.605 -8.424 14.505 1.00 0.00 H new ATOM 0 HD2 PHE A 70 17.179 -10.247 16.023 1.00 0.00 H new ATOM 0 HE1 PHE A 70 14.940 -7.249 12.788 1.00 0.00 H new ATOM 0 HE2 PHE A 70 18.500 -9.105 14.278 1.00 0.00 H new ATOM 0 HZ PHE A 70 17.380 -7.623 12.651 1.00 0.00 H new ATOM 1188 N GLU A 71 16.221 -9.610 19.312 1.00 0.00 N ATOM 1189 CA GLU A 71 17.584 -9.276 19.819 1.00 0.00 C ATOM 1190 C GLU A 71 18.701 -9.492 18.742 1.00 0.00 C ATOM 1191 O GLU A 71 18.857 -10.598 18.213 1.00 0.00 O ATOM 1192 CB GLU A 71 17.890 -10.035 21.148 1.00 0.00 C ATOM 1193 CG GLU A 71 17.848 -11.590 21.174 1.00 0.00 C ATOM 1194 CD GLU A 71 16.447 -12.198 21.276 1.00 0.00 C ATOM 1195 OE1 GLU A 71 15.691 -12.338 20.319 1.00 0.00 O ATOM 1196 OE2 GLU A 71 16.124 -12.550 22.551 1.00 0.00 O ATOM 0 H GLU A 71 15.859 -10.498 19.660 1.00 0.00 H new ATOM 0 HA GLU A 71 17.590 -8.209 20.040 1.00 0.00 H new ATOM 0 HB2 GLU A 71 18.884 -9.730 21.476 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.184 -9.677 21.897 1.00 0.00 H new ATOM 0 HG2 GLU A 71 18.326 -11.966 20.270 1.00 0.00 H new ATOM 0 HG3 GLU A 71 18.442 -11.940 22.018 1.00 0.00 H new ATOM 1204 N GLU A 72 19.520 -8.460 18.453 1.00 0.00 N ATOM 1205 CA GLU A 72 20.689 -8.595 17.523 1.00 0.00 C ATOM 1206 C GLU A 72 21.923 -9.327 18.169 1.00 0.00 C ATOM 1207 O GLU A 72 22.990 -8.751 18.408 1.00 0.00 O ATOM 1208 CB GLU A 72 21.056 -7.186 16.981 1.00 0.00 C ATOM 1209 CG GLU A 72 20.111 -6.588 15.907 1.00 0.00 C ATOM 1210 CD GLU A 72 20.551 -5.252 15.289 1.00 0.00 C ATOM 1211 OE1 GLU A 72 20.233 -4.893 14.158 1.00 0.00 O ATOM 1212 OE2 GLU A 72 21.333 -4.505 16.122 1.00 0.00 O ATOM 0 H GLU A 72 19.405 -7.524 18.842 1.00 0.00 H new ATOM 0 HA GLU A 72 20.396 -9.241 16.695 1.00 0.00 H new ATOM 0 HB2 GLU A 72 21.094 -6.496 17.824 1.00 0.00 H new ATOM 0 HB3 GLU A 72 22.061 -7.233 16.562 1.00 0.00 H new ATOM 0 HG2 GLU A 72 19.999 -7.317 15.104 1.00 0.00 H new ATOM 0 HG3 GLU A 72 19.126 -6.452 16.354 1.00 0.00 H new ATOM 1220 N ASP A 73 21.775 -10.634 18.440 1.00 0.00 N ATOM 1221 CA ASP A 73 22.747 -11.405 19.254 1.00 0.00 C ATOM 1222 C ASP A 73 23.982 -11.873 18.416 1.00 0.00 C ATOM 1223 O ASP A 73 23.893 -12.866 17.688 1.00 0.00 O ATOM 1224 CB ASP A 73 21.938 -12.578 19.879 1.00 0.00 C ATOM 1225 CG ASP A 73 22.712 -13.486 20.834 1.00 0.00 C ATOM 1226 OD1 ASP A 73 22.574 -13.458 22.052 1.00 0.00 O ATOM 1227 OD2 ASP A 73 23.562 -14.327 20.169 1.00 0.00 O ATOM 0 H ASP A 73 20.986 -11.189 18.107 1.00 0.00 H new ATOM 0 HA ASP A 73 23.190 -10.792 20.039 1.00 0.00 H new ATOM 0 HB2 ASP A 73 21.085 -12.161 20.415 1.00 0.00 H new ATOM 0 HB3 ASP A 73 21.538 -13.190 19.070 1.00 0.00 H new ATOM 1233 N LEU A 74 25.139 -11.206 18.599 1.00 0.00 N ATOM 1234 CA LEU A 74 26.424 -11.539 17.894 1.00 0.00 C ATOM 1235 C LEU A 74 26.428 -11.217 16.351 1.00 0.00 C ATOM 1236 O LEU A 74 26.818 -12.046 15.525 1.00 0.00 O ATOM 1237 CB LEU A 74 26.906 -12.977 18.288 1.00 0.00 C ATOM 1238 CG LEU A 74 28.409 -13.308 18.093 1.00 0.00 C ATOM 1239 CD1 LEU A 74 29.290 -12.647 19.168 1.00 0.00 C ATOM 1240 CD2 LEU A 74 28.635 -14.830 18.139 1.00 0.00 C ATOM 0 H LEU A 74 25.224 -10.416 19.239 1.00 0.00 H new ATOM 0 HA LEU A 74 27.187 -10.850 18.256 1.00 0.00 H new ATOM 0 HB2 LEU A 74 26.660 -13.138 19.337 1.00 0.00 H new ATOM 0 HB3 LEU A 74 26.326 -13.696 17.710 1.00 0.00 H new ATOM 0 HG LEU A 74 28.694 -12.913 17.118 1.00 0.00 H new ATOM 0 HD11 LEU A 74 30.334 -12.906 18.992 1.00 0.00 H new ATOM 0 HD12 LEU A 74 29.172 -11.565 19.120 1.00 0.00 H new ATOM 0 HD13 LEU A 74 28.989 -13.002 20.154 1.00 0.00 H new ATOM 0 HD21 LEU A 74 29.695 -15.045 18.001 1.00 0.00 H new ATOM 0 HD22 LEU A 74 28.309 -15.217 19.104 1.00 0.00 H new ATOM 0 HD23 LEU A 74 28.061 -15.307 17.345 1.00 0.00 H new ATOM 1252 N THR A 75 26.009 -9.995 15.962 1.00 0.00 N ATOM 1253 CA THR A 75 25.798 -9.626 14.523 1.00 0.00 C ATOM 1254 C THR A 75 26.971 -8.932 13.742 1.00 0.00 C ATOM 1255 O THR A 75 26.813 -8.725 12.535 1.00 0.00 O ATOM 1256 CB THR A 75 24.468 -8.812 14.403 1.00 0.00 C ATOM 1257 OG1 THR A 75 24.119 -8.681 13.028 1.00 0.00 O ATOM 1258 CG2 THR A 75 24.471 -7.388 14.992 1.00 0.00 C ATOM 0 H THR A 75 25.807 -9.238 16.615 1.00 0.00 H new ATOM 0 HA THR A 75 25.749 -10.585 14.007 1.00 0.00 H new ATOM 0 HB THR A 75 23.759 -9.391 14.994 1.00 0.00 H new ATOM 0 HG1 THR A 75 24.933 -8.675 12.483 1.00 0.00 H new ATOM 0 HG21 THR A 75 23.492 -6.931 14.845 1.00 0.00 H new ATOM 0 HG22 THR A 75 24.693 -7.436 16.058 1.00 0.00 H new ATOM 0 HG23 THR A 75 25.230 -6.788 14.490 1.00 0.00 H new ATOM 1266 N GLY A 76 28.085 -8.522 14.379 1.00 0.00 N ATOM 1267 CA GLY A 76 29.119 -7.671 13.724 1.00 0.00 C ATOM 1268 C GLY A 76 28.921 -6.138 13.865 1.00 0.00 C ATOM 1269 O GLY A 76 27.846 -5.649 14.228 1.00 0.00 O ATOM 0 H GLY A 76 28.299 -8.762 15.347 1.00 0.00 H new ATOM 0 HA2 GLY A 76 30.093 -7.932 14.138 1.00 0.00 H new ATOM 0 HA3 GLY A 76 29.147 -7.919 12.663 1.00 0.00 H new ATOM 1273 N ILE A 77 29.989 -5.375 13.559 1.00 0.00 N ATOM 1274 CA ILE A 77 29.985 -3.869 13.554 1.00 0.00 C ATOM 1275 C ILE A 77 29.846 -3.293 15.012 1.00 0.00 C ATOM 1276 O ILE A 77 30.860 -3.075 15.679 1.00 0.00 O ATOM 1277 CB ILE A 77 29.130 -3.256 12.365 1.00 0.00 C ATOM 1278 CG1 ILE A 77 29.794 -3.346 10.954 1.00 0.00 C ATOM 1279 CG2 ILE A 77 28.741 -1.767 12.556 1.00 0.00 C ATOM 1280 CD1 ILE A 77 30.107 -4.750 10.412 1.00 0.00 C ATOM 0 H ILE A 77 30.893 -5.774 13.304 1.00 0.00 H new ATOM 0 HA ILE A 77 30.963 -3.481 13.271 1.00 0.00 H new ATOM 0 HB ILE A 77 28.248 -3.895 12.404 1.00 0.00 H new ATOM 0 HG12 ILE A 77 29.139 -2.847 10.240 1.00 0.00 H new ATOM 0 HG13 ILE A 77 30.725 -2.780 10.982 1.00 0.00 H new ATOM 0 HG21 ILE A 77 28.159 -1.430 11.698 1.00 0.00 H new ATOM 0 HG22 ILE A 77 28.146 -1.660 13.463 1.00 0.00 H new ATOM 0 HG23 ILE A 77 29.644 -1.163 12.641 1.00 0.00 H new ATOM 0 HD11 ILE A 77 30.565 -4.666 9.426 1.00 0.00 H new ATOM 0 HD12 ILE A 77 30.795 -5.257 11.089 1.00 0.00 H new ATOM 0 HD13 ILE A 77 29.184 -5.325 10.336 1.00 0.00 H new ATOM 1292 N ASP A 78 28.615 -3.106 15.519 1.00 0.00 N ATOM 1293 CA ASP A 78 28.361 -2.904 16.976 1.00 0.00 C ATOM 1294 C ASP A 78 28.389 -4.233 17.811 1.00 0.00 C ATOM 1295 O ASP A 78 28.919 -4.230 18.924 1.00 0.00 O ATOM 1296 CB ASP A 78 27.020 -2.134 17.107 1.00 0.00 C ATOM 1297 CG ASP A 78 26.725 -1.579 18.501 1.00 0.00 C ATOM 1298 OD1 ASP A 78 25.923 -2.077 19.285 1.00 0.00 O ATOM 1299 OD2 ASP A 78 27.456 -0.468 18.778 1.00 0.00 O ATOM 0 H ASP A 78 27.770 -3.089 14.947 1.00 0.00 H new ATOM 0 HA ASP A 78 29.174 -2.320 17.408 1.00 0.00 H new ATOM 0 HB2 ASP A 78 27.023 -1.307 16.397 1.00 0.00 H new ATOM 0 HB3 ASP A 78 26.207 -2.800 16.818 1.00 0.00 H new ATOM 1305 N ASP A 79 27.814 -5.347 17.296 1.00 0.00 N ATOM 1306 CA ASP A 79 27.844 -6.691 17.948 1.00 0.00 C ATOM 1307 C ASP A 79 27.229 -6.750 19.394 1.00 0.00 C ATOM 1308 O ASP A 79 27.903 -7.141 20.354 1.00 0.00 O ATOM 1309 CB ASP A 79 29.279 -7.276 17.799 1.00 0.00 C ATOM 1310 CG ASP A 79 29.391 -8.775 18.041 1.00 0.00 C ATOM 1311 OD1 ASP A 79 29.505 -9.596 17.136 1.00 0.00 O ATOM 1312 OD2 ASP A 79 29.322 -9.086 19.370 1.00 0.00 O ATOM 0 H ASP A 79 27.311 -5.344 16.409 1.00 0.00 H new ATOM 0 HA ASP A 79 27.152 -7.350 17.423 1.00 0.00 H new ATOM 0 HB2 ASP A 79 29.642 -7.057 16.795 1.00 0.00 H new ATOM 0 HB3 ASP A 79 29.940 -6.760 18.496 1.00 0.00 H new ATOM 1318 N ARG A 80 25.949 -6.369 19.526 1.00 0.00 N ATOM 1319 CA ARG A 80 25.293 -6.159 20.845 1.00 0.00 C ATOM 1320 C ARG A 80 23.772 -6.516 20.751 1.00 0.00 C ATOM 1321 O ARG A 80 23.121 -6.240 19.737 1.00 0.00 O ATOM 1322 CB ARG A 80 25.516 -4.672 21.252 1.00 0.00 C ATOM 1323 CG ARG A 80 25.347 -4.377 22.763 1.00 0.00 C ATOM 1324 CD ARG A 80 25.097 -2.890 23.100 1.00 0.00 C ATOM 1325 NE ARG A 80 23.732 -2.440 22.701 1.00 0.00 N ATOM 1326 CZ ARG A 80 22.603 -2.727 23.351 1.00 0.00 C ATOM 1327 NH1 ARG A 80 22.542 -3.391 24.484 1.00 0.00 N ATOM 1328 NH2 ARG A 80 21.482 -2.325 22.828 1.00 0.00 N ATOM 0 H ARG A 80 25.334 -6.196 18.731 1.00 0.00 H new ATOM 0 HA ARG A 80 25.724 -6.809 21.606 1.00 0.00 H new ATOM 0 HB2 ARG A 80 26.520 -4.374 20.949 1.00 0.00 H new ATOM 0 HB3 ARG A 80 24.816 -4.049 20.695 1.00 0.00 H new ATOM 0 HG2 ARG A 80 24.515 -4.968 23.145 1.00 0.00 H new ATOM 0 HG3 ARG A 80 26.242 -4.710 23.288 1.00 0.00 H new ATOM 0 HD2 ARG A 80 25.229 -2.735 24.171 1.00 0.00 H new ATOM 0 HD3 ARG A 80 25.842 -2.275 22.595 1.00 0.00 H new ATOM 0 HE ARG A 80 23.656 -1.865 21.862 1.00 0.00 H new ATOM 0 HH11 ARG A 80 23.398 -3.725 24.926 1.00 0.00 H new ATOM 0 HH12 ARG A 80 21.638 -3.572 24.921 1.00 0.00 H new ATOM 0 HH21 ARG A 80 21.486 -1.808 21.949 1.00 0.00 H new ATOM 0 HH22 ARG A 80 20.599 -2.527 23.297 1.00 0.00 H new ATOM 1342 N LYS A 81 23.189 -7.090 21.822 1.00 0.00 N ATOM 1343 CA LYS A 81 21.758 -7.527 21.841 1.00 0.00 C ATOM 1344 C LYS A 81 20.730 -6.338 21.872 1.00 0.00 C ATOM 1345 O LYS A 81 20.188 -5.972 22.919 1.00 0.00 O ATOM 1346 CB LYS A 81 21.556 -8.512 23.031 1.00 0.00 C ATOM 1347 CG LYS A 81 22.236 -9.896 22.887 1.00 0.00 C ATOM 1348 CD LYS A 81 22.160 -10.793 24.140 1.00 0.00 C ATOM 1349 CE LYS A 81 20.765 -11.373 24.429 1.00 0.00 C ATOM 1350 NZ LYS A 81 20.834 -12.281 25.591 1.00 0.00 N ATOM 0 H LYS A 81 23.683 -7.268 22.697 1.00 0.00 H new ATOM 0 HA LYS A 81 21.547 -8.035 20.900 1.00 0.00 H new ATOM 0 HB2 LYS A 81 21.931 -8.037 23.938 1.00 0.00 H new ATOM 0 HB3 LYS A 81 20.486 -8.667 23.171 1.00 0.00 H new ATOM 0 HG2 LYS A 81 21.777 -10.425 22.052 1.00 0.00 H new ATOM 0 HG3 LYS A 81 23.284 -9.744 22.630 1.00 0.00 H new ATOM 0 HD2 LYS A 81 22.865 -11.617 24.024 1.00 0.00 H new ATOM 0 HD3 LYS A 81 22.485 -10.215 25.005 1.00 0.00 H new ATOM 0 HE2 LYS A 81 20.059 -10.566 24.627 1.00 0.00 H new ATOM 0 HE3 LYS A 81 20.397 -11.912 23.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 19.889 -12.671 25.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 21.494 -13.058 25.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 21.167 -11.754 26.424 1.00 0.00 H new ATOM 1363 N CYS A 82 20.446 -5.767 20.689 1.00 0.00 N ATOM 1364 CA CYS A 82 19.472 -4.651 20.537 1.00 0.00 C ATOM 1365 C CYS A 82 18.050 -5.182 20.191 1.00 0.00 C ATOM 1366 O CYS A 82 17.883 -5.901 19.197 1.00 0.00 O ATOM 1367 CB CYS A 82 19.948 -3.701 19.417 1.00 0.00 C ATOM 1368 SG CYS A 82 21.516 -2.868 19.825 1.00 0.00 S ATOM 0 H CYS A 82 20.877 -6.057 19.811 1.00 0.00 H new ATOM 0 HA CYS A 82 19.417 -4.118 21.486 1.00 0.00 H new ATOM 0 HB2 CYS A 82 20.071 -4.267 18.493 1.00 0.00 H new ATOM 0 HB3 CYS A 82 19.180 -2.951 19.231 1.00 0.00 H new ATOM 0 HG CYS A 82 21.467 -1.632 19.427 1.00 0.00 H new ATOM 1374 N MET A 83 17.022 -4.776 20.960 1.00 0.00 N ATOM 1375 CA MET A 83 15.600 -5.143 20.690 1.00 0.00 C ATOM 1376 C MET A 83 15.060 -4.408 19.422 1.00 0.00 C ATOM 1377 O MET A 83 14.727 -3.220 19.451 1.00 0.00 O ATOM 1378 CB MET A 83 14.754 -4.853 21.968 1.00 0.00 C ATOM 1379 CG MET A 83 14.497 -6.097 22.837 1.00 0.00 C ATOM 1380 SD MET A 83 13.399 -7.224 21.947 1.00 0.00 S ATOM 1381 CE MET A 83 14.050 -8.825 22.438 1.00 0.00 C ATOM 0 H MET A 83 17.142 -4.187 21.784 1.00 0.00 H new ATOM 0 HA MET A 83 15.524 -6.207 20.468 1.00 0.00 H new ATOM 0 HB2 MET A 83 15.266 -4.101 22.569 1.00 0.00 H new ATOM 0 HB3 MET A 83 13.797 -4.425 21.670 1.00 0.00 H new ATOM 0 HG2 MET A 83 15.439 -6.595 23.069 1.00 0.00 H new ATOM 0 HG3 MET A 83 14.048 -5.806 23.787 1.00 0.00 H new ATOM 0 HE1 MET A 83 13.287 -9.589 22.290 1.00 0.00 H new ATOM 0 HE2 MET A 83 14.924 -9.063 21.833 1.00 0.00 H new ATOM 0 HE3 MET A 83 14.334 -8.795 23.490 1.00 0.00 H new ATOM 1391 N THR A 84 15.045 -5.114 18.285 1.00 0.00 N ATOM 1392 CA THR A 84 15.051 -4.473 16.948 1.00 0.00 C ATOM 1393 C THR A 84 13.721 -4.759 16.201 1.00 0.00 C ATOM 1394 O THR A 84 13.464 -5.887 15.769 1.00 0.00 O ATOM 1395 CB THR A 84 16.307 -4.941 16.158 1.00 0.00 C ATOM 1396 OG1 THR A 84 17.493 -4.647 16.895 1.00 0.00 O ATOM 1397 CG2 THR A 84 16.444 -4.231 14.800 1.00 0.00 C ATOM 0 H THR A 84 15.029 -6.133 18.256 1.00 0.00 H new ATOM 0 HA THR A 84 15.114 -3.390 17.051 1.00 0.00 H new ATOM 0 HB THR A 84 16.182 -6.012 16.001 1.00 0.00 H new ATOM 0 HG1 THR A 84 17.655 -5.357 17.550 1.00 0.00 H new ATOM 0 HG21 THR A 84 17.336 -4.593 14.289 1.00 0.00 H new ATOM 0 HG22 THR A 84 15.566 -4.440 14.190 1.00 0.00 H new ATOM 0 HG23 THR A 84 16.528 -3.156 14.958 1.00 0.00 H new ATOM 1405 N THR A 85 12.906 -3.713 16.013 1.00 0.00 N ATOM 1406 CA THR A 85 11.712 -3.776 15.123 1.00 0.00 C ATOM 1407 C THR A 85 12.094 -3.230 13.714 1.00 0.00 C ATOM 1408 O THR A 85 12.605 -2.111 13.591 1.00 0.00 O ATOM 1409 CB THR A 85 10.551 -2.966 15.769 1.00 0.00 C ATOM 1410 OG1 THR A 85 10.105 -3.605 16.961 1.00 0.00 O ATOM 1411 CG2 THR A 85 9.280 -2.832 14.910 1.00 0.00 C ATOM 0 H THR A 85 13.042 -2.807 16.461 1.00 0.00 H new ATOM 0 HA THR A 85 11.374 -4.805 15.001 1.00 0.00 H new ATOM 0 HB THR A 85 10.990 -1.980 15.921 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.515 -3.170 17.738 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.534 -2.251 15.452 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.524 -2.328 13.975 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.881 -3.823 14.694 1.00 0.00 H new ATOM 1419 N VAL A 86 11.770 -3.997 12.659 1.00 0.00 N ATOM 1420 CA VAL A 86 11.732 -3.475 11.259 1.00 0.00 C ATOM 1421 C VAL A 86 10.224 -3.394 10.826 1.00 0.00 C ATOM 1422 O VAL A 86 9.488 -4.373 10.963 1.00 0.00 O ATOM 1423 CB VAL A 86 12.600 -4.328 10.269 1.00 0.00 C ATOM 1424 CG1 VAL A 86 12.705 -3.640 8.890 1.00 0.00 C ATOM 1425 CG2 VAL A 86 14.055 -4.613 10.713 1.00 0.00 C ATOM 0 H VAL A 86 11.528 -4.985 12.737 1.00 0.00 H new ATOM 0 HA VAL A 86 12.182 -2.483 11.224 1.00 0.00 H new ATOM 0 HB VAL A 86 12.064 -5.277 10.239 1.00 0.00 H new ATOM 0 HG11 VAL A 86 13.312 -4.252 8.223 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.708 -3.521 8.466 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.169 -2.661 9.006 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.558 -5.209 9.952 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.586 -3.670 10.845 1.00 0.00 H new ATOM 0 HG23 VAL A 86 14.047 -5.160 11.656 1.00 0.00 H new ATOM 1435 N SER A 87 9.766 -2.244 10.301 1.00 0.00 N ATOM 1436 CA SER A 87 8.336 -2.002 9.946 1.00 0.00 C ATOM 1437 C SER A 87 8.210 -1.351 8.533 1.00 0.00 C ATOM 1438 O SER A 87 8.976 -0.448 8.177 1.00 0.00 O ATOM 1439 CB SER A 87 7.687 -1.096 11.021 1.00 0.00 C ATOM 1440 OG SER A 87 7.526 -1.800 12.252 1.00 0.00 O ATOM 0 H SER A 87 10.371 -1.446 10.106 1.00 0.00 H new ATOM 0 HA SER A 87 7.815 -2.959 9.916 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.307 -0.214 11.181 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.717 -0.745 10.669 1.00 0.00 H new ATOM 0 HG SER A 87 7.116 -1.208 12.916 1.00 0.00 H new ATOM 1446 N TRP A 88 7.198 -1.749 7.735 1.00 0.00 N ATOM 1447 CA TRP A 88 6.857 -1.028 6.474 1.00 0.00 C ATOM 1448 C TRP A 88 6.047 0.275 6.779 1.00 0.00 C ATOM 1449 O TRP A 88 4.857 0.221 7.107 1.00 0.00 O ATOM 1450 CB TRP A 88 6.059 -1.939 5.492 1.00 0.00 C ATOM 1451 CG TRP A 88 6.856 -2.982 4.697 1.00 0.00 C ATOM 1452 CD1 TRP A 88 6.654 -4.379 4.733 1.00 0.00 C ATOM 1453 CD2 TRP A 88 7.768 -2.771 3.676 1.00 0.00 C ATOM 1454 NE1 TRP A 88 7.459 -5.057 3.799 1.00 0.00 N ATOM 1455 CE2 TRP A 88 8.125 -4.037 3.140 1.00 0.00 C ATOM 1456 CE3 TRP A 88 8.258 -1.575 3.083 1.00 0.00 C ATOM 1457 CZ2 TRP A 88 8.971 -4.115 2.013 1.00 0.00 C ATOM 1458 CZ3 TRP A 88 9.090 -1.682 1.968 1.00 0.00 C ATOM 1459 CH2 TRP A 88 9.443 -2.932 1.443 1.00 0.00 C ATOM 0 H TRP A 88 6.604 -2.555 7.931 1.00 0.00 H new ATOM 0 HA TRP A 88 7.796 -0.753 5.993 1.00 0.00 H new ATOM 0 HB2 TRP A 88 5.294 -2.463 6.064 1.00 0.00 H new ATOM 0 HB3 TRP A 88 5.541 -1.296 4.781 1.00 0.00 H new ATOM 0 HD1 TRP A 88 5.962 -4.870 5.400 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.534 -6.062 3.644 1.00 0.00 H new ATOM 0 HE3 TRP A 88 7.993 -0.608 3.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 9.248 -5.073 1.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 9.469 -0.785 1.501 1.00 0.00 H new ATOM 0 HH2 TRP A 88 10.092 -2.981 0.581 1.00 0.00 H new ATOM 1470 N ASP A 89 6.676 1.453 6.618 1.00 0.00 N ATOM 1471 CA ASP A 89 5.956 2.758 6.621 1.00 0.00 C ATOM 1472 C ASP A 89 5.415 3.070 5.183 1.00 0.00 C ATOM 1473 O ASP A 89 5.990 3.867 4.432 1.00 0.00 O ATOM 1474 CB ASP A 89 6.958 3.791 7.207 1.00 0.00 C ATOM 1475 CG ASP A 89 6.442 5.215 7.394 1.00 0.00 C ATOM 1476 OD1 ASP A 89 7.018 6.206 6.958 1.00 0.00 O ATOM 1477 OD2 ASP A 89 5.287 5.267 8.114 1.00 0.00 O ATOM 0 H ASP A 89 7.684 1.537 6.483 1.00 0.00 H new ATOM 0 HA ASP A 89 5.060 2.771 7.242 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.300 3.423 8.174 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.830 3.828 6.554 1.00 0.00 H new ATOM 1483 N GLY A 90 4.333 2.366 4.788 1.00 0.00 N ATOM 1484 CA GLY A 90 3.864 2.332 3.377 1.00 0.00 C ATOM 1485 C GLY A 90 4.845 1.641 2.401 1.00 0.00 C ATOM 1486 O GLY A 90 4.901 0.413 2.324 1.00 0.00 O ATOM 0 H GLY A 90 3.763 1.810 5.425 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.905 1.816 3.337 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.691 3.354 3.038 1.00 0.00 H new ATOM 1490 N ASP A 91 5.635 2.461 1.699 1.00 0.00 N ATOM 1491 CA ASP A 91 6.741 1.987 0.809 1.00 0.00 C ATOM 1492 C ASP A 91 8.204 2.190 1.345 1.00 0.00 C ATOM 1493 O ASP A 91 9.143 1.720 0.694 1.00 0.00 O ATOM 1494 CB ASP A 91 6.516 2.643 -0.586 1.00 0.00 C ATOM 1495 CG ASP A 91 5.482 1.918 -1.452 1.00 0.00 C ATOM 1496 OD1 ASP A 91 5.768 1.277 -2.456 1.00 0.00 O ATOM 1497 OD2 ASP A 91 4.220 2.006 -0.952 1.00 0.00 O ATOM 0 H ASP A 91 5.539 3.476 1.721 1.00 0.00 H new ATOM 0 HA ASP A 91 6.681 0.900 0.758 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.197 3.676 -0.444 1.00 0.00 H new ATOM 0 HB3 ASP A 91 7.466 2.673 -1.120 1.00 0.00 H new ATOM 1503 N LYS A 92 8.419 2.836 2.507 1.00 0.00 N ATOM 1504 CA LYS A 92 9.765 3.023 3.114 1.00 0.00 C ATOM 1505 C LYS A 92 9.939 2.021 4.299 1.00 0.00 C ATOM 1506 O LYS A 92 9.123 1.984 5.227 1.00 0.00 O ATOM 1507 CB LYS A 92 9.935 4.496 3.583 1.00 0.00 C ATOM 1508 CG LYS A 92 9.804 5.585 2.484 1.00 0.00 C ATOM 1509 CD LYS A 92 10.086 7.019 2.978 1.00 0.00 C ATOM 1510 CE LYS A 92 11.582 7.368 3.008 1.00 0.00 C ATOM 1511 NZ LYS A 92 11.791 8.695 3.619 1.00 0.00 N ATOM 0 H LYS A 92 7.666 3.247 3.059 1.00 0.00 H new ATOM 0 HA LYS A 92 10.540 2.819 2.375 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.193 4.698 4.355 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.915 4.596 4.049 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.492 5.350 1.672 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.797 5.547 2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.568 7.727 2.331 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.672 7.139 3.979 1.00 0.00 H new ATOM 0 HE2 LYS A 92 12.127 6.611 3.573 1.00 0.00 H new ATOM 0 HE3 LYS A 92 11.984 7.360 1.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.807 8.915 3.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.287 9.416 3.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.426 8.690 4.593 1.00 0.00 H new ATOM 1524 N LEU A 93 11.000 1.199 4.282 1.00 0.00 N ATOM 1525 CA LEU A 93 11.259 0.196 5.348 1.00 0.00 C ATOM 1526 C LEU A 93 12.021 0.853 6.544 1.00 0.00 C ATOM 1527 O LEU A 93 13.204 1.195 6.440 1.00 0.00 O ATOM 1528 CB LEU A 93 12.016 -0.982 4.682 1.00 0.00 C ATOM 1529 CG LEU A 93 12.213 -2.249 5.552 1.00 0.00 C ATOM 1530 CD1 LEU A 93 10.887 -3.000 5.774 1.00 0.00 C ATOM 1531 CD2 LEU A 93 13.234 -3.192 4.898 1.00 0.00 C ATOM 0 H LEU A 93 11.701 1.203 3.541 1.00 0.00 H new ATOM 0 HA LEU A 93 10.338 -0.189 5.786 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.478 -1.268 3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.997 -0.625 4.369 1.00 0.00 H new ATOM 0 HG LEU A 93 12.585 -1.922 6.523 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.067 -3.882 6.388 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.178 -2.344 6.279 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.476 -3.306 4.812 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.362 -4.078 5.520 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.875 -3.490 3.913 1.00 0.00 H new ATOM 0 HD23 LEU A 93 14.190 -2.679 4.796 1.00 0.00 H new ATOM 1543 N GLN A 94 11.312 1.051 7.664 1.00 0.00 N ATOM 1544 CA GLN A 94 11.846 1.742 8.867 1.00 0.00 C ATOM 1545 C GLN A 94 12.368 0.718 9.914 1.00 0.00 C ATOM 1546 O GLN A 94 11.650 -0.217 10.277 1.00 0.00 O ATOM 1547 CB GLN A 94 10.712 2.595 9.501 1.00 0.00 C ATOM 1548 CG GLN A 94 10.338 3.868 8.719 1.00 0.00 C ATOM 1549 CD GLN A 94 11.410 4.961 8.721 1.00 0.00 C ATOM 1550 OE1 GLN A 94 12.555 4.836 9.147 1.00 0.00 O ATOM 1551 NE2 GLN A 94 11.084 6.066 8.135 1.00 0.00 N ATOM 0 H GLN A 94 10.347 0.739 7.771 1.00 0.00 H new ATOM 0 HA GLN A 94 12.679 2.377 8.566 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.822 1.973 9.599 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.014 2.881 10.508 1.00 0.00 H new ATOM 0 HG2 GLN A 94 10.122 3.593 7.687 1.00 0.00 H new ATOM 0 HG3 GLN A 94 9.420 4.279 9.139 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.139 6.192 7.773 1.00 0.00 H new ATOM 0 HE22 GLN A 94 11.772 6.812 8.034 1.00 0.00 H new ATOM 1560 N CYS A 95 13.583 0.915 10.439 1.00 0.00 N ATOM 1561 CA CYS A 95 14.148 0.064 11.516 1.00 0.00 C ATOM 1562 C CYS A 95 14.536 0.900 12.763 1.00 0.00 C ATOM 1563 O CYS A 95 15.161 1.961 12.647 1.00 0.00 O ATOM 1564 CB CYS A 95 15.360 -0.689 10.947 1.00 0.00 C ATOM 1565 SG CYS A 95 16.112 -1.783 12.203 1.00 0.00 S ATOM 0 H CYS A 95 14.207 1.663 10.137 1.00 0.00 H new ATOM 0 HA CYS A 95 13.394 -0.649 11.850 1.00 0.00 H new ATOM 0 HB2 CYS A 95 15.051 -1.280 10.085 1.00 0.00 H new ATOM 0 HB3 CYS A 95 16.102 0.027 10.594 1.00 0.00 H new ATOM 0 HG CYS A 95 16.990 -2.556 11.636 1.00 0.00 H new ATOM 1571 N VAL A 96 14.205 0.385 13.960 1.00 0.00 N ATOM 1572 CA VAL A 96 14.677 0.966 15.250 1.00 0.00 C ATOM 1573 C VAL A 96 15.352 -0.152 16.117 1.00 0.00 C ATOM 1574 O VAL A 96 14.708 -1.134 16.500 1.00 0.00 O ATOM 1575 CB VAL A 96 13.536 1.769 15.969 1.00 0.00 C ATOM 1576 CG1 VAL A 96 12.306 0.945 16.421 1.00 0.00 C ATOM 1577 CG2 VAL A 96 14.063 2.578 17.176 1.00 0.00 C ATOM 0 H VAL A 96 13.610 -0.436 14.071 1.00 0.00 H new ATOM 0 HA VAL A 96 15.450 1.712 15.065 1.00 0.00 H new ATOM 0 HB VAL A 96 13.186 2.436 15.181 1.00 0.00 H new ATOM 0 HG11 VAL A 96 11.585 1.604 16.905 1.00 0.00 H new ATOM 0 HG12 VAL A 96 11.844 0.475 15.553 1.00 0.00 H new ATOM 0 HG13 VAL A 96 12.623 0.175 17.124 1.00 0.00 H new ATOM 0 HG21 VAL A 96 13.238 3.117 17.641 1.00 0.00 H new ATOM 0 HG22 VAL A 96 14.508 1.899 17.903 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.815 3.290 16.836 1.00 0.00 H new ATOM 1587 N GLN A 97 16.645 0.023 16.445 1.00 0.00 N ATOM 1588 CA GLN A 97 17.393 -0.860 17.380 1.00 0.00 C ATOM 1589 C GLN A 97 17.301 -0.296 18.837 1.00 0.00 C ATOM 1590 O GLN A 97 17.972 0.685 19.177 1.00 0.00 O ATOM 1591 CB GLN A 97 18.879 -0.922 16.918 1.00 0.00 C ATOM 1592 CG GLN A 97 19.255 -1.843 15.730 1.00 0.00 C ATOM 1593 CD GLN A 97 19.059 -1.312 14.306 1.00 0.00 C ATOM 1594 OE1 GLN A 97 18.833 -0.137 14.043 1.00 0.00 O ATOM 1595 NE2 GLN A 97 19.204 -2.161 13.317 1.00 0.00 N ATOM 0 H GLN A 97 17.211 0.784 16.070 1.00 0.00 H new ATOM 0 HA GLN A 97 16.963 -1.862 17.374 1.00 0.00 H new ATOM 0 HB2 GLN A 97 19.187 0.091 16.660 1.00 0.00 H new ATOM 0 HB3 GLN A 97 19.478 -1.228 17.775 1.00 0.00 H new ATOM 0 HG2 GLN A 97 20.304 -2.116 15.841 1.00 0.00 H new ATOM 0 HG3 GLN A 97 18.675 -2.761 15.825 1.00 0.00 H new ATOM 0 HE21 GLN A 97 19.393 -3.144 13.512 1.00 0.00 H new ATOM 0 HE22 GLN A 97 19.128 -1.838 12.352 1.00 0.00 H new ATOM 1604 N LYS A 98 16.483 -0.914 19.706 1.00 0.00 N ATOM 1605 CA LYS A 98 16.232 -0.393 21.082 1.00 0.00 C ATOM 1606 C LYS A 98 17.225 -0.984 22.134 1.00 0.00 C ATOM 1607 O LYS A 98 17.402 -2.203 22.240 1.00 0.00 O ATOM 1608 CB LYS A 98 14.771 -0.688 21.520 1.00 0.00 C ATOM 1609 CG LYS A 98 13.660 -0.069 20.641 1.00 0.00 C ATOM 1610 CD LYS A 98 12.260 -0.443 21.155 1.00 0.00 C ATOM 1611 CE LYS A 98 11.152 0.027 20.200 1.00 0.00 C ATOM 1612 NZ LYS A 98 9.843 -0.480 20.654 1.00 0.00 N ATOM 0 H LYS A 98 15.980 -1.775 19.490 1.00 0.00 H new ATOM 0 HA LYS A 98 16.393 0.684 21.043 1.00 0.00 H new ATOM 0 HB2 LYS A 98 14.630 -1.769 21.540 1.00 0.00 H new ATOM 0 HB3 LYS A 98 14.640 -0.330 22.541 1.00 0.00 H new ATOM 0 HG2 LYS A 98 13.766 1.016 20.629 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.775 -0.412 19.613 1.00 0.00 H new ATOM 0 HD2 LYS A 98 12.196 -1.524 21.280 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.104 0.001 22.138 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.135 1.116 20.159 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.357 -0.327 19.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.083 0.060 20.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.754 -1.485 20.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.768 -0.372 21.686 1.00 0.00 H new ATOM 1625 N GLY A 99 17.821 -0.106 22.955 1.00 0.00 N ATOM 1626 CA GLY A 99 18.594 -0.532 24.149 1.00 0.00 C ATOM 1627 C GLY A 99 19.537 0.565 24.673 1.00 0.00 C ATOM 1628 O GLY A 99 19.107 1.461 25.399 1.00 0.00 O ATOM 0 H GLY A 99 17.787 0.905 22.821 1.00 0.00 H new ATOM 0 HA2 GLY A 99 17.902 -0.818 24.941 1.00 0.00 H new ATOM 0 HA3 GLY A 99 19.178 -1.418 23.901 1.00 0.00 H new ATOM 1632 N GLU A 100 20.821 0.483 24.303 1.00 0.00 N ATOM 1633 CA GLU A 100 21.868 1.435 24.774 1.00 0.00 C ATOM 1634 C GLU A 100 21.874 2.838 24.074 1.00 0.00 C ATOM 1635 O GLU A 100 21.946 3.855 24.768 1.00 0.00 O ATOM 1636 CB GLU A 100 23.224 0.680 24.644 1.00 0.00 C ATOM 1637 CG GLU A 100 24.459 1.379 25.267 1.00 0.00 C ATOM 1638 CD GLU A 100 25.754 0.604 25.027 1.00 0.00 C ATOM 1639 OE1 GLU A 100 26.523 0.842 24.100 1.00 0.00 O ATOM 1640 OE2 GLU A 100 25.938 -0.391 25.945 1.00 0.00 O ATOM 0 H GLU A 100 21.175 -0.236 23.673 1.00 0.00 H new ATOM 0 HA GLU A 100 21.657 1.714 25.807 1.00 0.00 H new ATOM 0 HB2 GLU A 100 23.116 -0.301 25.107 1.00 0.00 H new ATOM 0 HB3 GLU A 100 23.423 0.513 23.585 1.00 0.00 H new ATOM 0 HG2 GLU A 100 24.556 2.380 24.847 1.00 0.00 H new ATOM 0 HG3 GLU A 100 24.303 1.497 26.339 1.00 0.00 H new ATOM 1648 N LYS A 101 21.894 2.900 22.728 1.00 0.00 N ATOM 1649 CA LYS A 101 22.327 4.120 21.988 1.00 0.00 C ATOM 1650 C LYS A 101 21.150 5.003 21.475 1.00 0.00 C ATOM 1651 O LYS A 101 20.095 4.523 21.046 1.00 0.00 O ATOM 1652 CB LYS A 101 23.297 3.702 20.853 1.00 0.00 C ATOM 1653 CG LYS A 101 24.684 3.276 21.382 1.00 0.00 C ATOM 1654 CD LYS A 101 25.669 2.888 20.271 1.00 0.00 C ATOM 1655 CE LYS A 101 27.058 2.527 20.831 1.00 0.00 C ATOM 1656 NZ LYS A 101 27.830 3.746 21.146 1.00 0.00 N ATOM 0 H LYS A 101 21.617 2.125 22.125 1.00 0.00 H new ATOM 0 HA LYS A 101 22.850 4.768 22.691 1.00 0.00 H new ATOM 0 HB2 LYS A 101 22.858 2.878 20.291 1.00 0.00 H new ATOM 0 HB3 LYS A 101 23.417 4.533 20.159 1.00 0.00 H new ATOM 0 HG2 LYS A 101 25.109 4.094 21.964 1.00 0.00 H new ATOM 0 HG3 LYS A 101 24.562 2.431 22.060 1.00 0.00 H new ATOM 0 HD2 LYS A 101 25.271 2.040 19.714 1.00 0.00 H new ATOM 0 HD3 LYS A 101 25.766 3.715 19.567 1.00 0.00 H new ATOM 0 HE2 LYS A 101 26.946 1.920 21.729 1.00 0.00 H new ATOM 0 HE3 LYS A 101 27.602 1.924 20.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 28.769 3.479 21.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 27.939 4.320 20.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 27.326 4.299 21.869 1.00 0.00 H new ATOM 1669 N GLU A 102 21.361 6.330 21.527 1.00 0.00 N ATOM 1670 CA GLU A 102 20.272 7.331 21.353 1.00 0.00 C ATOM 1671 C GLU A 102 19.976 7.637 19.851 1.00 0.00 C ATOM 1672 O GLU A 102 20.679 8.403 19.186 1.00 0.00 O ATOM 1673 CB GLU A 102 20.552 8.567 22.252 1.00 0.00 C ATOM 1674 CG GLU A 102 21.762 9.476 21.909 1.00 0.00 C ATOM 1675 CD GLU A 102 22.055 10.529 22.971 1.00 0.00 C ATOM 1676 OE1 GLU A 102 22.825 10.353 23.909 1.00 0.00 O ATOM 1677 OE2 GLU A 102 21.364 11.683 22.764 1.00 0.00 O ATOM 0 H GLU A 102 22.279 6.745 21.689 1.00 0.00 H new ATOM 0 HA GLU A 102 19.328 6.913 21.702 1.00 0.00 H new ATOM 0 HB2 GLU A 102 19.658 9.190 22.246 1.00 0.00 H new ATOM 0 HB3 GLU A 102 20.685 8.210 23.273 1.00 0.00 H new ATOM 0 HG2 GLU A 102 22.646 8.853 21.773 1.00 0.00 H new ATOM 0 HG3 GLU A 102 21.573 9.974 20.958 1.00 0.00 H new ATOM 1685 N GLY A 103 18.949 6.972 19.304 1.00 0.00 N ATOM 1686 CA GLY A 103 18.707 6.966 17.839 1.00 0.00 C ATOM 1687 C GLY A 103 19.516 5.970 16.991 1.00 0.00 C ATOM 1688 O GLY A 103 19.897 6.337 15.879 1.00 0.00 O ATOM 0 H GLY A 103 18.272 6.432 19.843 1.00 0.00 H new ATOM 0 HA2 GLY A 103 17.648 6.767 17.674 1.00 0.00 H new ATOM 0 HA3 GLY A 103 18.905 7.969 17.461 1.00 0.00 H new ATOM 1692 N ARG A 104 19.710 4.714 17.444 1.00 0.00 N ATOM 1693 CA ARG A 104 20.170 3.625 16.540 1.00 0.00 C ATOM 1694 C ARG A 104 18.984 3.113 15.654 1.00 0.00 C ATOM 1695 O ARG A 104 18.011 2.534 16.148 1.00 0.00 O ATOM 1696 CB ARG A 104 20.919 2.500 17.306 1.00 0.00 C ATOM 1697 CG ARG A 104 21.694 1.559 16.341 1.00 0.00 C ATOM 1698 CD ARG A 104 22.390 0.360 17.008 1.00 0.00 C ATOM 1699 NE ARG A 104 22.905 -0.534 15.935 1.00 0.00 N ATOM 1700 CZ ARG A 104 23.305 -1.790 16.105 1.00 0.00 C ATOM 1701 NH1 ARG A 104 23.393 -2.387 17.269 1.00 0.00 N ATOM 1702 NH2 ARG A 104 23.626 -2.478 15.044 1.00 0.00 N ATOM 0 H ARG A 104 19.560 4.426 18.411 1.00 0.00 H new ATOM 0 HA ARG A 104 20.916 4.033 15.857 1.00 0.00 H new ATOM 0 HB2 ARG A 104 21.616 2.946 18.016 1.00 0.00 H new ATOM 0 HB3 ARG A 104 20.203 1.917 17.885 1.00 0.00 H new ATOM 0 HG2 ARG A 104 20.999 1.183 15.591 1.00 0.00 H new ATOM 0 HG3 ARG A 104 22.445 2.146 15.813 1.00 0.00 H new ATOM 0 HD2 ARG A 104 23.207 0.700 17.644 1.00 0.00 H new ATOM 0 HD3 ARG A 104 21.691 -0.178 17.648 1.00 0.00 H new ATOM 0 HE ARG A 104 22.955 -0.151 14.991 1.00 0.00 H new ATOM 0 HH11 ARG A 104 23.146 -1.883 18.121 1.00 0.00 H new ATOM 0 HH12 ARG A 104 23.709 -3.355 17.323 1.00 0.00 H new ATOM 0 HH21 ARG A 104 23.566 -2.049 14.121 1.00 0.00 H new ATOM 0 HH22 ARG A 104 23.937 -3.445 15.138 1.00 0.00 H new ATOM 1716 N GLY A 105 19.078 3.359 14.343 1.00 0.00 N ATOM 1717 CA GLY A 105 18.014 2.987 13.381 1.00 0.00 C ATOM 1718 C GLY A 105 18.430 3.122 11.905 1.00 0.00 C ATOM 1719 O GLY A 105 19.531 3.572 11.570 1.00 0.00 O ATOM 0 H GLY A 105 19.882 3.817 13.914 1.00 0.00 H new ATOM 0 HA2 GLY A 105 17.711 1.957 13.570 1.00 0.00 H new ATOM 0 HA3 GLY A 105 17.141 3.614 13.561 1.00 0.00 H new ATOM 1723 N TRP A 106 17.516 2.753 10.999 1.00 0.00 N ATOM 1724 CA TRP A 106 17.703 2.993 9.540 1.00 0.00 C ATOM 1725 C TRP A 106 16.369 3.150 8.748 1.00 0.00 C ATOM 1726 O TRP A 106 15.301 2.695 9.162 1.00 0.00 O ATOM 1727 CB TRP A 106 18.724 2.009 8.883 1.00 0.00 C ATOM 1728 CG TRP A 106 18.506 0.493 8.969 1.00 0.00 C ATOM 1729 CD1 TRP A 106 19.265 -0.367 9.789 1.00 0.00 C ATOM 1730 CD2 TRP A 106 17.633 -0.326 8.273 1.00 0.00 C ATOM 1731 NE1 TRP A 106 18.888 -1.716 9.624 1.00 0.00 N ATOM 1732 CE2 TRP A 106 17.867 -1.665 8.687 1.00 0.00 C ATOM 1733 CE3 TRP A 106 16.598 -0.032 7.351 1.00 0.00 C ATOM 1734 CZ2 TRP A 106 17.051 -2.712 8.193 1.00 0.00 C ATOM 1735 CZ3 TRP A 106 15.794 -1.075 6.897 1.00 0.00 C ATOM 1736 CH2 TRP A 106 16.022 -2.398 7.303 1.00 0.00 C ATOM 0 H TRP A 106 16.640 2.288 11.237 1.00 0.00 H new ATOM 0 HA TRP A 106 18.170 3.975 9.468 1.00 0.00 H new ATOM 0 HB2 TRP A 106 18.785 2.266 7.826 1.00 0.00 H new ATOM 0 HB3 TRP A 106 19.701 2.219 9.319 1.00 0.00 H new ATOM 0 HD1 TRP A 106 20.041 -0.033 10.462 1.00 0.00 H new ATOM 0 HE1 TRP A 106 19.276 -2.538 10.086 1.00 0.00 H new ATOM 0 HE3 TRP A 106 16.436 0.979 7.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 17.221 -3.734 8.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 14.980 -0.861 6.220 1.00 0.00 H new ATOM 0 HH2 TRP A 106 15.391 -3.187 6.921 1.00 0.00 H new ATOM 1747 N THR A 107 16.457 3.794 7.573 1.00 0.00 N ATOM 1748 CA THR A 107 15.308 3.965 6.641 1.00 0.00 C ATOM 1749 C THR A 107 15.758 3.500 5.217 1.00 0.00 C ATOM 1750 O THR A 107 16.682 4.083 4.638 1.00 0.00 O ATOM 1751 CB THR A 107 14.828 5.448 6.653 1.00 0.00 C ATOM 1752 OG1 THR A 107 14.546 5.910 7.974 1.00 0.00 O ATOM 1753 CG2 THR A 107 13.556 5.666 5.827 1.00 0.00 C ATOM 0 H THR A 107 17.322 4.214 7.234 1.00 0.00 H new ATOM 0 HA THR A 107 14.460 3.356 6.954 1.00 0.00 H new ATOM 0 HB THR A 107 15.656 6.007 6.217 1.00 0.00 H new ATOM 0 HG1 THR A 107 14.026 5.232 8.454 1.00 0.00 H new ATOM 0 HG21 THR A 107 13.269 6.716 5.872 1.00 0.00 H new ATOM 0 HG22 THR A 107 13.743 5.385 4.791 1.00 0.00 H new ATOM 0 HG23 THR A 107 12.751 5.052 6.230 1.00 0.00 H new ATOM 1761 N GLN A 108 15.102 2.467 4.655 1.00 0.00 N ATOM 1762 CA GLN A 108 15.477 1.879 3.335 1.00 0.00 C ATOM 1763 C GLN A 108 14.304 1.971 2.304 1.00 0.00 C ATOM 1764 O GLN A 108 13.179 1.552 2.586 1.00 0.00 O ATOM 1765 CB GLN A 108 15.934 0.417 3.589 1.00 0.00 C ATOM 1766 CG GLN A 108 16.721 -0.225 2.424 1.00 0.00 C ATOM 1767 CD GLN A 108 17.215 -1.649 2.705 1.00 0.00 C ATOM 1768 OE1 GLN A 108 18.258 -1.876 3.306 1.00 0.00 O ATOM 1769 NE2 GLN A 108 16.509 -2.663 2.273 1.00 0.00 N ATOM 0 H GLN A 108 14.301 2.012 5.092 1.00 0.00 H new ATOM 0 HA GLN A 108 16.294 2.444 2.886 1.00 0.00 H new ATOM 0 HB2 GLN A 108 16.555 0.395 4.485 1.00 0.00 H new ATOM 0 HB3 GLN A 108 15.055 -0.193 3.796 1.00 0.00 H new ATOM 0 HG2 GLN A 108 16.086 -0.241 1.538 1.00 0.00 H new ATOM 0 HG3 GLN A 108 17.579 0.405 2.190 1.00 0.00 H new ATOM 0 HE21 GLN A 108 15.637 -2.500 1.770 1.00 0.00 H new ATOM 0 HE22 GLN A 108 16.831 -3.616 2.439 1.00 0.00 H new ATOM 1778 N TRP A 109 14.563 2.499 1.096 1.00 0.00 N ATOM 1779 CA TRP A 109 13.528 2.658 0.024 1.00 0.00 C ATOM 1780 C TRP A 109 14.140 2.535 -1.413 1.00 0.00 C ATOM 1781 O TRP A 109 15.359 2.599 -1.583 1.00 0.00 O ATOM 1782 CB TRP A 109 12.712 3.968 0.256 1.00 0.00 C ATOM 1783 CG TRP A 109 13.409 5.298 -0.077 1.00 0.00 C ATOM 1784 CD1 TRP A 109 13.321 5.982 -1.309 1.00 0.00 C ATOM 1785 CD2 TRP A 109 14.288 6.037 0.695 1.00 0.00 C ATOM 1786 NE1 TRP A 109 14.119 7.141 -1.320 1.00 0.00 N ATOM 1787 CE2 TRP A 109 14.702 7.156 -0.068 1.00 0.00 C ATOM 1788 CE3 TRP A 109 14.822 5.816 1.991 1.00 0.00 C ATOM 1789 CZ2 TRP A 109 15.647 8.065 0.458 1.00 0.00 C ATOM 1790 CZ3 TRP A 109 15.760 6.722 2.488 1.00 0.00 C ATOM 1791 CH2 TRP A 109 16.160 7.833 1.735 1.00 0.00 C ATOM 0 H TRP A 109 15.488 2.831 0.822 1.00 0.00 H new ATOM 0 HA TRP A 109 12.822 1.830 0.091 1.00 0.00 H new ATOM 0 HB2 TRP A 109 11.799 3.907 -0.337 1.00 0.00 H new ATOM 0 HB3 TRP A 109 12.411 3.997 1.303 1.00 0.00 H new ATOM 0 HD1 TRP A 109 12.715 5.656 -2.141 1.00 0.00 H new ATOM 0 HE1 TRP A 109 14.239 7.814 -2.077 1.00 0.00 H new ATOM 0 HE3 TRP A 109 14.510 4.966 2.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 15.966 8.922 -0.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 16.184 6.564 3.469 1.00 0.00 H new ATOM 0 HH2 TRP A 109 16.879 8.523 2.150 1.00 0.00 H new ATOM 1802 N ILE A 110 13.306 2.389 -2.462 1.00 0.00 N ATOM 1803 CA ILE A 110 13.795 2.349 -3.881 1.00 0.00 C ATOM 1804 C ILE A 110 13.407 3.670 -4.629 1.00 0.00 C ATOM 1805 O ILE A 110 12.247 4.093 -4.644 1.00 0.00 O ATOM 1806 CB ILE A 110 13.350 1.036 -4.623 1.00 0.00 C ATOM 1807 CG1 ILE A 110 14.003 -0.226 -3.985 1.00 0.00 C ATOM 1808 CG2 ILE A 110 13.678 1.042 -6.145 1.00 0.00 C ATOM 1809 CD1 ILE A 110 13.422 -1.571 -4.439 1.00 0.00 C ATOM 0 H ILE A 110 12.295 2.296 -2.369 1.00 0.00 H new ATOM 0 HA ILE A 110 14.884 2.305 -3.876 1.00 0.00 H new ATOM 0 HB ILE A 110 12.267 1.002 -4.509 1.00 0.00 H new ATOM 0 HG12 ILE A 110 15.069 -0.216 -4.211 1.00 0.00 H new ATOM 0 HG13 ILE A 110 13.906 -0.155 -2.902 1.00 0.00 H new ATOM 0 HG21 ILE A 110 13.344 0.106 -6.593 1.00 0.00 H new ATOM 0 HG22 ILE A 110 13.167 1.877 -6.624 1.00 0.00 H new ATOM 0 HG23 ILE A 110 14.754 1.147 -6.285 1.00 0.00 H new ATOM 0 HD11 ILE A 110 13.947 -2.383 -3.935 1.00 0.00 H new ATOM 0 HD12 ILE A 110 12.362 -1.613 -4.187 1.00 0.00 H new ATOM 0 HD13 ILE A 110 13.543 -1.674 -5.517 1.00 0.00 H new ATOM 1821 N GLU A 111 14.393 4.249 -5.334 1.00 0.00 N ATOM 1822 CA GLU A 111 14.164 5.266 -6.397 1.00 0.00 C ATOM 1823 C GLU A 111 14.559 4.652 -7.782 1.00 0.00 C ATOM 1824 O GLU A 111 15.742 4.557 -8.127 1.00 0.00 O ATOM 1825 CB GLU A 111 14.978 6.548 -6.070 1.00 0.00 C ATOM 1826 CG GLU A 111 14.374 7.442 -4.962 1.00 0.00 C ATOM 1827 CD GLU A 111 15.231 8.640 -4.557 1.00 0.00 C ATOM 1828 OE1 GLU A 111 15.571 8.869 -3.400 1.00 0.00 O ATOM 1829 OE2 GLU A 111 15.552 9.439 -5.615 1.00 0.00 O ATOM 0 H GLU A 111 15.379 4.030 -5.189 1.00 0.00 H new ATOM 0 HA GLU A 111 13.112 5.549 -6.442 1.00 0.00 H new ATOM 0 HB2 GLU A 111 15.984 6.255 -5.771 1.00 0.00 H new ATOM 0 HB3 GLU A 111 15.076 7.140 -6.980 1.00 0.00 H new ATOM 0 HG2 GLU A 111 13.404 7.807 -5.299 1.00 0.00 H new ATOM 0 HG3 GLU A 111 14.194 6.828 -4.079 1.00 0.00 H new ATOM 1837 N GLY A 112 13.560 4.210 -8.572 1.00 0.00 N ATOM 1838 CA GLY A 112 13.794 3.608 -9.918 1.00 0.00 C ATOM 1839 C GLY A 112 14.416 2.194 -9.896 1.00 0.00 C ATOM 1840 O GLY A 112 13.761 1.238 -9.476 1.00 0.00 O ATOM 0 H GLY A 112 12.576 4.255 -8.307 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.844 3.564 -10.451 1.00 0.00 H new ATOM 0 HA3 GLY A 112 14.448 4.269 -10.487 1.00 0.00 H new ATOM 1844 N ASP A 113 15.687 2.077 -10.309 1.00 0.00 N ATOM 1845 CA ASP A 113 16.522 0.869 -10.013 1.00 0.00 C ATOM 1846 C ASP A 113 17.673 1.112 -8.966 1.00 0.00 C ATOM 1847 O ASP A 113 18.755 0.522 -9.098 1.00 0.00 O ATOM 1848 CB ASP A 113 17.000 0.248 -11.359 1.00 0.00 C ATOM 1849 CG ASP A 113 17.982 1.056 -12.217 1.00 0.00 C ATOM 1850 OD1 ASP A 113 17.706 1.495 -13.328 1.00 0.00 O ATOM 1851 OD2 ASP A 113 19.189 1.222 -11.598 1.00 0.00 O ATOM 0 H ASP A 113 16.172 2.794 -10.849 1.00 0.00 H new ATOM 0 HA ASP A 113 15.898 0.139 -9.497 1.00 0.00 H new ATOM 0 HB2 ASP A 113 17.463 -0.713 -11.137 1.00 0.00 H new ATOM 0 HB3 ASP A 113 16.117 0.044 -11.965 1.00 0.00 H new ATOM 1857 N GLU A 114 17.451 1.962 -7.946 1.00 0.00 N ATOM 1858 CA GLU A 114 18.465 2.296 -6.913 1.00 0.00 C ATOM 1859 C GLU A 114 17.825 2.180 -5.499 1.00 0.00 C ATOM 1860 O GLU A 114 16.807 2.807 -5.202 1.00 0.00 O ATOM 1861 CB GLU A 114 19.043 3.720 -7.124 1.00 0.00 C ATOM 1862 CG GLU A 114 19.999 3.881 -8.332 1.00 0.00 C ATOM 1863 CD GLU A 114 20.631 5.268 -8.476 1.00 0.00 C ATOM 1864 OE1 GLU A 114 20.515 6.185 -7.667 1.00 0.00 O ATOM 1865 OE2 GLU A 114 21.364 5.368 -9.619 1.00 0.00 O ATOM 0 H GLU A 114 16.561 2.442 -7.810 1.00 0.00 H new ATOM 0 HA GLU A 114 19.290 1.589 -7.001 1.00 0.00 H new ATOM 0 HB2 GLU A 114 18.213 4.416 -7.245 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.576 4.014 -6.220 1.00 0.00 H new ATOM 0 HG2 GLU A 114 20.796 3.142 -8.247 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.449 3.652 -9.245 1.00 0.00 H new ATOM 1873 N LEU A 115 18.460 1.395 -4.623 1.00 0.00 N ATOM 1874 CA LEU A 115 18.081 1.270 -3.194 1.00 0.00 C ATOM 1875 C LEU A 115 18.821 2.354 -2.350 1.00 0.00 C ATOM 1876 O LEU A 115 20.055 2.382 -2.285 1.00 0.00 O ATOM 1877 CB LEU A 115 18.453 -0.176 -2.781 1.00 0.00 C ATOM 1878 CG LEU A 115 18.092 -0.640 -1.351 1.00 0.00 C ATOM 1879 CD1 LEU A 115 16.581 -0.904 -1.212 1.00 0.00 C ATOM 1880 CD2 LEU A 115 18.874 -1.921 -1.023 1.00 0.00 C ATOM 0 H LEU A 115 19.261 0.818 -4.879 1.00 0.00 H new ATOM 0 HA LEU A 115 17.018 1.439 -3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 115 17.974 -0.857 -3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 115 19.529 -0.293 -2.908 1.00 0.00 H new ATOM 0 HG LEU A 115 18.360 0.153 -0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 115 16.360 -1.229 -0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 115 16.030 0.011 -1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 115 16.281 -1.682 -1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 115 18.623 -2.253 -0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 115 18.611 -2.701 -1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 115 19.944 -1.720 -1.083 1.00 0.00 H new ATOM 1892 N HIS A 116 18.048 3.237 -1.711 1.00 0.00 N ATOM 1893 CA HIS A 116 18.573 4.369 -0.906 1.00 0.00 C ATOM 1894 C HIS A 116 18.395 4.040 0.608 1.00 0.00 C ATOM 1895 O HIS A 116 17.280 3.805 1.089 1.00 0.00 O ATOM 1896 CB HIS A 116 17.823 5.667 -1.317 1.00 0.00 C ATOM 1897 CG HIS A 116 18.242 6.287 -2.657 1.00 0.00 C ATOM 1898 ND1 HIS A 116 17.987 5.718 -3.899 1.00 0.00 N ATOM 1899 CD2 HIS A 116 18.935 7.501 -2.807 1.00 0.00 C ATOM 1900 CE1 HIS A 116 18.583 6.655 -4.702 1.00 0.00 C ATOM 1901 NE2 HIS A 116 19.172 7.757 -4.146 1.00 0.00 N ATOM 0 H HIS A 116 17.029 3.195 -1.732 1.00 0.00 H new ATOM 0 HA HIS A 116 19.636 4.524 -1.090 1.00 0.00 H new ATOM 0 HB2 HIS A 116 16.756 5.450 -1.357 1.00 0.00 H new ATOM 0 HB3 HIS A 116 17.968 6.411 -0.533 1.00 0.00 H new ATOM 0 HD2 HIS A 116 19.239 8.142 -1.993 1.00 0.00 H new ATOM 0 HE1 HIS A 116 18.588 6.523 -5.774 1.00 0.00 H new ATOM 0 HE2 HIS A 116 19.649 8.542 -4.590 1.00 0.00 H new ATOM 1909 N LEU A 117 19.515 4.014 1.345 1.00 0.00 N ATOM 1910 CA LEU A 117 19.552 3.673 2.791 1.00 0.00 C ATOM 1911 C LEU A 117 20.114 4.881 3.605 1.00 0.00 C ATOM 1912 O LEU A 117 21.250 5.318 3.389 1.00 0.00 O ATOM 1913 CB LEU A 117 20.429 2.396 2.950 1.00 0.00 C ATOM 1914 CG LEU A 117 20.586 1.848 4.395 1.00 0.00 C ATOM 1915 CD1 LEU A 117 19.301 1.175 4.899 1.00 0.00 C ATOM 1916 CD2 LEU A 117 21.754 0.854 4.485 1.00 0.00 C ATOM 0 H LEU A 117 20.434 4.230 0.959 1.00 0.00 H new ATOM 0 HA LEU A 117 18.554 3.470 3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 117 20.003 1.608 2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 117 21.422 2.611 2.555 1.00 0.00 H new ATOM 0 HG LEU A 117 20.794 2.707 5.033 1.00 0.00 H new ATOM 0 HD11 LEU A 117 19.457 0.807 5.913 1.00 0.00 H new ATOM 0 HD12 LEU A 117 18.486 1.899 4.897 1.00 0.00 H new ATOM 0 HD13 LEU A 117 19.047 0.341 4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 117 21.841 0.486 5.507 1.00 0.00 H new ATOM 0 HD22 LEU A 117 21.571 0.016 3.812 1.00 0.00 H new ATOM 0 HD23 LEU A 117 22.680 1.353 4.199 1.00 0.00 H new ATOM 1928 N GLU A 118 19.350 5.367 4.595 1.00 0.00 N ATOM 1929 CA GLU A 118 19.884 6.285 5.645 1.00 0.00 C ATOM 1930 C GLU A 118 20.059 5.496 6.977 1.00 0.00 C ATOM 1931 O GLU A 118 19.084 4.929 7.475 1.00 0.00 O ATOM 1932 CB GLU A 118 18.934 7.495 5.856 1.00 0.00 C ATOM 1933 CG GLU A 118 18.808 8.463 4.657 1.00 0.00 C ATOM 1934 CD GLU A 118 17.883 9.646 4.924 1.00 0.00 C ATOM 1935 OE1 GLU A 118 16.717 9.693 4.543 1.00 0.00 O ATOM 1936 OE2 GLU A 118 18.506 10.633 5.633 1.00 0.00 O ATOM 0 H GLU A 118 18.360 5.147 4.701 1.00 0.00 H new ATOM 0 HA GLU A 118 20.851 6.671 5.320 1.00 0.00 H new ATOM 0 HB2 GLU A 118 17.941 7.116 6.100 1.00 0.00 H new ATOM 0 HB3 GLU A 118 19.281 8.060 6.721 1.00 0.00 H new ATOM 0 HG2 GLU A 118 19.798 8.838 4.397 1.00 0.00 H new ATOM 0 HG3 GLU A 118 18.439 7.911 3.792 1.00 0.00 H new ATOM 1944 N MET A 119 21.269 5.468 7.561 1.00 0.00 N ATOM 1945 CA MET A 119 21.536 4.761 8.851 1.00 0.00 C ATOM 1946 C MET A 119 21.936 5.777 9.962 1.00 0.00 C ATOM 1947 O MET A 119 22.886 6.544 9.793 1.00 0.00 O ATOM 1948 CB MET A 119 22.640 3.683 8.696 1.00 0.00 C ATOM 1949 CG MET A 119 22.396 2.570 7.660 1.00 0.00 C ATOM 1950 SD MET A 119 23.591 1.235 7.865 1.00 0.00 S ATOM 1951 CE MET A 119 25.057 1.988 7.142 1.00 0.00 C ATOM 0 H MET A 119 22.090 5.926 7.167 1.00 0.00 H new ATOM 0 HA MET A 119 20.613 4.259 9.142 1.00 0.00 H new ATOM 0 HB2 MET A 119 23.571 4.188 8.437 1.00 0.00 H new ATOM 0 HB3 MET A 119 22.792 3.213 9.668 1.00 0.00 H new ATOM 0 HG2 MET A 119 21.384 2.179 7.770 1.00 0.00 H new ATOM 0 HG3 MET A 119 22.471 2.981 6.653 1.00 0.00 H new ATOM 0 HE1 MET A 119 25.836 1.234 7.029 1.00 0.00 H new ATOM 0 HE2 MET A 119 24.809 2.402 6.165 1.00 0.00 H new ATOM 0 HE3 MET A 119 25.416 2.785 7.794 1.00 0.00 H new ATOM 1961 N ARG A 120 21.228 5.769 11.103 1.00 0.00 N ATOM 1962 CA ARG A 120 21.490 6.709 12.234 1.00 0.00 C ATOM 1963 C ARG A 120 22.031 5.967 13.492 1.00 0.00 C ATOM 1964 O ARG A 120 21.599 4.850 13.796 1.00 0.00 O ATOM 1965 CB ARG A 120 20.189 7.470 12.608 1.00 0.00 C ATOM 1966 CG ARG A 120 19.600 8.384 11.502 1.00 0.00 C ATOM 1967 CD ARG A 120 18.533 9.375 12.004 1.00 0.00 C ATOM 1968 NE ARG A 120 19.159 10.515 12.728 1.00 0.00 N ATOM 1969 CZ ARG A 120 18.496 11.444 13.411 1.00 0.00 C ATOM 1970 NH1 ARG A 120 17.193 11.443 13.596 1.00 0.00 N ATOM 1971 NH2 ARG A 120 19.186 12.421 13.931 1.00 0.00 N ATOM 0 H ARG A 120 20.461 5.120 11.279 1.00 0.00 H new ATOM 0 HA ARG A 120 22.252 7.414 11.901 1.00 0.00 H new ATOM 0 HB2 ARG A 120 19.431 6.739 12.891 1.00 0.00 H new ATOM 0 HB3 ARG A 120 20.388 8.080 13.489 1.00 0.00 H new ATOM 0 HG2 ARG A 120 20.412 8.945 11.039 1.00 0.00 H new ATOM 0 HG3 ARG A 120 19.162 7.758 10.725 1.00 0.00 H new ATOM 0 HD2 ARG A 120 17.955 9.750 11.160 1.00 0.00 H new ATOM 0 HD3 ARG A 120 17.836 8.860 12.664 1.00 0.00 H new ATOM 0 HE ARG A 120 20.176 10.590 12.698 1.00 0.00 H new ATOM 0 HH11 ARG A 120 16.623 10.694 13.203 1.00 0.00 H new ATOM 0 HH12 ARG A 120 16.753 12.191 14.132 1.00 0.00 H new ATOM 0 HH21 ARG A 120 20.198 12.453 13.807 1.00 0.00 H new ATOM 0 HH22 ARG A 120 18.714 13.153 14.462 1.00 0.00 H new ATOM 1985 N ALA A 121 22.942 6.607 14.248 1.00 0.00 N ATOM 1986 CA ALA A 121 23.328 6.154 15.614 1.00 0.00 C ATOM 1987 C ALA A 121 23.913 7.325 16.449 1.00 0.00 C ATOM 1988 O ALA A 121 24.802 8.044 15.983 1.00 0.00 O ATOM 1989 CB ALA A 121 24.341 5.004 15.546 1.00 0.00 C ATOM 0 H ALA A 121 23.433 7.447 13.940 1.00 0.00 H new ATOM 0 HA ALA A 121 22.424 5.795 16.106 1.00 0.00 H new ATOM 0 HB1 ALA A 121 24.606 4.692 16.556 1.00 0.00 H new ATOM 0 HB2 ALA A 121 23.901 4.163 15.010 1.00 0.00 H new ATOM 0 HB3 ALA A 121 25.237 5.339 15.023 1.00 0.00 H new ATOM 1995 N GLU A 122 23.412 7.534 17.685 1.00 0.00 N ATOM 1996 CA GLU A 122 23.775 8.726 18.531 1.00 0.00 C ATOM 1997 C GLU A 122 23.500 10.123 17.845 1.00 0.00 C ATOM 1998 O GLU A 122 24.327 11.037 17.903 1.00 0.00 O ATOM 1999 CB GLU A 122 25.219 8.577 19.112 1.00 0.00 C ATOM 2000 CG GLU A 122 25.519 7.330 19.991 1.00 0.00 C ATOM 2001 CD GLU A 122 25.379 7.548 21.498 1.00 0.00 C ATOM 2002 OE1 GLU A 122 26.162 8.217 22.163 1.00 0.00 O ATOM 2003 OE2 GLU A 122 24.299 6.912 22.031 1.00 0.00 O ATOM 0 H GLU A 122 22.752 6.899 18.134 1.00 0.00 H new ATOM 0 HA GLU A 122 23.087 8.730 19.376 1.00 0.00 H new ATOM 0 HB2 GLU A 122 25.918 8.574 18.276 1.00 0.00 H new ATOM 0 HB3 GLU A 122 25.435 9.465 19.705 1.00 0.00 H new ATOM 0 HG2 GLU A 122 24.848 6.525 19.692 1.00 0.00 H new ATOM 0 HG3 GLU A 122 26.534 6.993 19.781 1.00 0.00 H new ATOM 2011 N GLY A 123 22.365 10.261 17.125 1.00 0.00 N ATOM 2012 CA GLY A 123 22.180 11.340 16.108 1.00 0.00 C ATOM 2013 C GLY A 123 22.851 11.200 14.709 1.00 0.00 C ATOM 2014 O GLY A 123 22.331 11.739 13.727 1.00 0.00 O ATOM 0 H GLY A 123 21.559 9.643 17.223 1.00 0.00 H new ATOM 0 HA2 GLY A 123 21.108 11.456 15.946 1.00 0.00 H new ATOM 0 HA3 GLY A 123 22.538 12.270 16.550 1.00 0.00 H new ATOM 2018 N VAL A 124 24.016 10.538 14.605 1.00 0.00 N ATOM 2019 CA VAL A 124 24.940 10.650 13.438 1.00 0.00 C ATOM 2020 C VAL A 124 24.424 9.807 12.229 1.00 0.00 C ATOM 2021 O VAL A 124 24.235 8.593 12.340 1.00 0.00 O ATOM 2022 CB VAL A 124 26.392 10.238 13.863 1.00 0.00 C ATOM 2023 CG1 VAL A 124 27.396 10.279 12.692 1.00 0.00 C ATOM 2024 CG2 VAL A 124 26.991 11.101 15.002 1.00 0.00 C ATOM 0 H VAL A 124 24.355 9.903 15.328 1.00 0.00 H new ATOM 0 HA VAL A 124 24.968 11.689 13.108 1.00 0.00 H new ATOM 0 HB VAL A 124 26.258 9.217 14.219 1.00 0.00 H new ATOM 0 HG11 VAL A 124 28.383 9.984 13.048 1.00 0.00 H new ATOM 0 HG12 VAL A 124 27.072 9.592 11.911 1.00 0.00 H new ATOM 0 HG13 VAL A 124 27.443 11.290 12.289 1.00 0.00 H new ATOM 0 HG21 VAL A 124 27.996 10.750 15.235 1.00 0.00 H new ATOM 0 HG22 VAL A 124 27.035 12.143 14.684 1.00 0.00 H new ATOM 0 HG23 VAL A 124 26.364 11.019 15.889 1.00 0.00 H new ATOM 2034 N THR A 125 24.233 10.468 11.076 1.00 0.00 N ATOM 2035 CA THR A 125 23.567 9.858 9.889 1.00 0.00 C ATOM 2036 C THR A 125 24.601 9.490 8.773 1.00 0.00 C ATOM 2037 O THR A 125 25.250 10.367 8.193 1.00 0.00 O ATOM 2038 CB THR A 125 22.451 10.830 9.394 1.00 0.00 C ATOM 2039 OG1 THR A 125 21.570 11.162 10.466 1.00 0.00 O ATOM 2040 CG2 THR A 125 21.563 10.254 8.278 1.00 0.00 C ATOM 0 H THR A 125 24.529 11.433 10.930 1.00 0.00 H new ATOM 0 HA THR A 125 23.102 8.912 10.167 1.00 0.00 H new ATOM 0 HB THR A 125 22.992 11.693 9.007 1.00 0.00 H new ATOM 0 HG1 THR A 125 20.876 11.773 10.142 1.00 0.00 H new ATOM 0 HG21 THR A 125 20.814 10.992 7.992 1.00 0.00 H new ATOM 0 HG22 THR A 125 22.179 10.008 7.413 1.00 0.00 H new ATOM 0 HG23 THR A 125 21.066 9.353 8.637 1.00 0.00 H new ATOM 2048 N CYS A 126 24.704 8.193 8.441 1.00 0.00 N ATOM 2049 CA CYS A 126 25.346 7.715 7.187 1.00 0.00 C ATOM 2050 C CYS A 126 24.313 7.547 6.028 1.00 0.00 C ATOM 2051 O CYS A 126 23.189 7.079 6.235 1.00 0.00 O ATOM 2052 CB CYS A 126 26.050 6.384 7.522 1.00 0.00 C ATOM 2053 SG CYS A 126 26.662 5.538 6.024 1.00 0.00 S ATOM 0 H CYS A 126 24.347 7.439 9.029 1.00 0.00 H new ATOM 0 HA CYS A 126 26.066 8.450 6.827 1.00 0.00 H new ATOM 0 HB2 CYS A 126 26.884 6.575 8.197 1.00 0.00 H new ATOM 0 HB3 CYS A 126 25.356 5.730 8.050 1.00 0.00 H new ATOM 0 HG CYS A 126 27.447 4.561 6.368 1.00 0.00 H new ATOM 2059 N LYS A 127 24.718 7.896 4.797 1.00 0.00 N ATOM 2060 CA LYS A 127 23.861 7.764 3.584 1.00 0.00 C ATOM 2061 C LYS A 127 24.515 6.767 2.573 1.00 0.00 C ATOM 2062 O LYS A 127 25.624 6.998 2.079 1.00 0.00 O ATOM 2063 CB LYS A 127 23.623 9.168 2.962 1.00 0.00 C ATOM 2064 CG LYS A 127 22.739 10.110 3.813 1.00 0.00 C ATOM 2065 CD LYS A 127 22.475 11.463 3.128 1.00 0.00 C ATOM 2066 CE LYS A 127 21.513 12.345 3.939 1.00 0.00 C ATOM 2067 NZ LYS A 127 21.292 13.623 3.235 1.00 0.00 N ATOM 0 H LYS A 127 25.644 8.278 4.603 1.00 0.00 H new ATOM 0 HA LYS A 127 22.888 7.354 3.854 1.00 0.00 H new ATOM 0 HB2 LYS A 127 24.589 9.647 2.799 1.00 0.00 H new ATOM 0 HB3 LYS A 127 23.160 9.043 1.983 1.00 0.00 H new ATOM 0 HG2 LYS A 127 21.787 9.620 4.018 1.00 0.00 H new ATOM 0 HG3 LYS A 127 23.222 10.283 4.775 1.00 0.00 H new ATOM 0 HD2 LYS A 127 23.420 11.989 2.990 1.00 0.00 H new ATOM 0 HD3 LYS A 127 22.059 11.291 2.136 1.00 0.00 H new ATOM 0 HE2 LYS A 127 20.564 11.829 4.081 1.00 0.00 H new ATOM 0 HE3 LYS A 127 21.925 12.532 4.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 20.641 14.216 3.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 22.199 14.118 3.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 20.880 13.437 2.298 1.00 0.00 H new ATOM 2080 N GLN A 128 23.826 5.654 2.271 1.00 0.00 N ATOM 2081 CA GLN A 128 24.305 4.616 1.314 1.00 0.00 C ATOM 2082 C GLN A 128 23.330 4.452 0.104 1.00 0.00 C ATOM 2083 O GLN A 128 22.105 4.467 0.265 1.00 0.00 O ATOM 2084 CB GLN A 128 24.473 3.269 2.071 1.00 0.00 C ATOM 2085 CG GLN A 128 25.769 3.147 2.907 1.00 0.00 C ATOM 2086 CD GLN A 128 25.996 1.787 3.582 1.00 0.00 C ATOM 2087 OE1 GLN A 128 25.218 0.842 3.502 1.00 0.00 O ATOM 2088 NE2 GLN A 128 27.104 1.634 4.264 1.00 0.00 N ATOM 0 H GLN A 128 22.917 5.439 2.680 1.00 0.00 H new ATOM 0 HA GLN A 128 25.266 4.932 0.907 1.00 0.00 H new ATOM 0 HB2 GLN A 128 23.617 3.132 2.732 1.00 0.00 H new ATOM 0 HB3 GLN A 128 24.449 2.456 1.345 1.00 0.00 H new ATOM 0 HG2 GLN A 128 26.620 3.357 2.259 1.00 0.00 H new ATOM 0 HG3 GLN A 128 25.757 3.918 3.678 1.00 0.00 H new ATOM 0 HE21 GLN A 128 27.765 2.407 4.343 1.00 0.00 H new ATOM 0 HE22 GLN A 128 27.306 0.742 4.716 1.00 0.00 H new ATOM 2097 N VAL A 129 23.881 4.256 -1.109 1.00 0.00 N ATOM 2098 CA VAL A 129 23.062 4.024 -2.345 1.00 0.00 C ATOM 2099 C VAL A 129 23.580 2.737 -3.067 1.00 0.00 C ATOM 2100 O VAL A 129 24.785 2.582 -3.295 1.00 0.00 O ATOM 2101 CB VAL A 129 23.026 5.267 -3.305 1.00 0.00 C ATOM 2102 CG1 VAL A 129 22.043 5.066 -4.485 1.00 0.00 C ATOM 2103 CG2 VAL A 129 22.621 6.592 -2.617 1.00 0.00 C ATOM 0 H VAL A 129 24.888 4.251 -1.274 1.00 0.00 H new ATOM 0 HA VAL A 129 22.025 3.875 -2.043 1.00 0.00 H new ATOM 0 HB VAL A 129 24.057 5.343 -3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 129 22.052 5.951 -5.121 1.00 0.00 H new ATOM 0 HG12 VAL A 129 22.347 4.197 -5.068 1.00 0.00 H new ATOM 0 HG13 VAL A 129 21.037 4.909 -4.097 1.00 0.00 H new ATOM 0 HG21 VAL A 129 22.622 7.398 -3.351 1.00 0.00 H new ATOM 0 HG22 VAL A 129 21.623 6.490 -2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 129 23.333 6.823 -1.824 1.00 0.00 H new ATOM 2113 N PHE A 130 22.656 1.840 -3.460 1.00 0.00 N ATOM 2114 CA PHE A 130 22.987 0.575 -4.178 1.00 0.00 C ATOM 2115 C PHE A 130 22.168 0.439 -5.502 1.00 0.00 C ATOM 2116 O PHE A 130 20.966 0.703 -5.522 1.00 0.00 O ATOM 2117 CB PHE A 130 22.683 -0.659 -3.286 1.00 0.00 C ATOM 2118 CG PHE A 130 23.568 -0.930 -2.065 1.00 0.00 C ATOM 2119 CD1 PHE A 130 23.458 -0.151 -0.910 1.00 0.00 C ATOM 2120 CD2 PHE A 130 24.415 -2.041 -2.064 1.00 0.00 C ATOM 2121 CE1 PHE A 130 24.194 -0.475 0.226 1.00 0.00 C ATOM 2122 CE2 PHE A 130 25.146 -2.369 -0.928 1.00 0.00 C ATOM 2123 CZ PHE A 130 25.032 -1.589 0.220 1.00 0.00 C ATOM 0 H PHE A 130 21.657 1.963 -3.293 1.00 0.00 H new ATOM 0 HA PHE A 130 24.051 0.613 -4.414 1.00 0.00 H new ATOM 0 HB2 PHE A 130 21.656 -0.565 -2.933 1.00 0.00 H new ATOM 0 HB3 PHE A 130 22.722 -1.543 -3.923 1.00 0.00 H new ATOM 0 HD1 PHE A 130 22.800 0.705 -0.899 1.00 0.00 H new ATOM 0 HD2 PHE A 130 24.502 -2.649 -2.952 1.00 0.00 H new ATOM 0 HE1 PHE A 130 24.116 0.137 1.112 1.00 0.00 H new ATOM 0 HE2 PHE A 130 25.801 -3.227 -0.936 1.00 0.00 H new ATOM 0 HZ PHE A 130 25.593 -1.847 1.106 1.00 0.00 H new ATOM 2133 N LYS A 131 22.785 -0.048 -6.591 1.00 0.00 N ATOM 2134 CA LYS A 131 22.096 -0.258 -7.897 1.00 0.00 C ATOM 2135 C LYS A 131 21.675 -1.744 -8.123 1.00 0.00 C ATOM 2136 O LYS A 131 22.440 -2.670 -7.833 1.00 0.00 O ATOM 2137 CB LYS A 131 23.056 0.276 -8.987 1.00 0.00 C ATOM 2138 CG LYS A 131 22.485 0.239 -10.428 1.00 0.00 C ATOM 2139 CD LYS A 131 23.229 1.131 -11.440 1.00 0.00 C ATOM 2140 CE LYS A 131 22.668 2.562 -11.502 1.00 0.00 C ATOM 2141 NZ LYS A 131 23.514 3.394 -12.378 1.00 0.00 N ATOM 0 H LYS A 131 23.771 -0.309 -6.602 1.00 0.00 H new ATOM 0 HA LYS A 131 21.151 0.284 -7.928 1.00 0.00 H new ATOM 0 HB2 LYS A 131 23.324 1.304 -8.743 1.00 0.00 H new ATOM 0 HB3 LYS A 131 23.976 -0.309 -8.960 1.00 0.00 H new ATOM 0 HG2 LYS A 131 22.508 -0.790 -10.787 1.00 0.00 H new ATOM 0 HG3 LYS A 131 21.439 0.543 -10.397 1.00 0.00 H new ATOM 0 HD2 LYS A 131 24.285 1.171 -11.173 1.00 0.00 H new ATOM 0 HD3 LYS A 131 23.167 0.679 -12.430 1.00 0.00 H new ATOM 0 HE2 LYS A 131 21.645 2.545 -11.878 1.00 0.00 H new ATOM 0 HE3 LYS A 131 22.632 2.992 -10.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 23.130 4.360 -12.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 24.483 3.421 -12.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 23.526 2.988 -13.336 1.00 0.00 H new ATOM 2154 N LYS A 132 20.470 -1.965 -8.688 1.00 0.00 N ATOM 2155 CA LYS A 132 19.960 -3.332 -8.991 1.00 0.00 C ATOM 2156 C LYS A 132 20.674 -3.979 -10.220 1.00 0.00 C ATOM 2157 O LYS A 132 20.582 -3.469 -11.341 1.00 0.00 O ATOM 2158 CB LYS A 132 18.425 -3.260 -9.226 1.00 0.00 C ATOM 2159 CG LYS A 132 17.689 -4.601 -8.999 1.00 0.00 C ATOM 2160 CD LYS A 132 16.166 -4.472 -9.188 1.00 0.00 C ATOM 2161 CE LYS A 132 15.433 -5.790 -8.897 1.00 0.00 C ATOM 2162 NZ LYS A 132 13.977 -5.618 -9.057 1.00 0.00 N ATOM 0 H LYS A 132 19.826 -1.217 -8.947 1.00 0.00 H new ATOM 0 HA LYS A 132 20.179 -3.971 -8.136 1.00 0.00 H new ATOM 0 HB2 LYS A 132 18.001 -2.508 -8.561 1.00 0.00 H new ATOM 0 HB3 LYS A 132 18.240 -2.924 -10.246 1.00 0.00 H new ATOM 0 HG2 LYS A 132 18.077 -5.347 -9.692 1.00 0.00 H new ATOM 0 HG3 LYS A 132 17.899 -4.962 -7.992 1.00 0.00 H new ATOM 0 HD2 LYS A 132 15.784 -3.692 -8.529 1.00 0.00 H new ATOM 0 HD3 LYS A 132 15.953 -4.158 -10.210 1.00 0.00 H new ATOM 0 HE2 LYS A 132 15.790 -6.568 -9.572 1.00 0.00 H new ATOM 0 HE3 LYS A 132 15.657 -6.121 -7.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 13.497 -6.519 -8.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 13.639 -4.890 -8.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 13.767 -5.324 -10.032 1.00 0.00 H new ATOM 2175 N VAL A 133 21.352 -5.115 -10.001 1.00 0.00 N ATOM 2176 CA VAL A 133 21.966 -5.924 -11.106 1.00 0.00 C ATOM 2177 C VAL A 133 21.138 -7.205 -11.466 1.00 0.00 C ATOM 2178 O VAL A 133 20.950 -7.480 -12.653 1.00 0.00 O ATOM 2179 CB VAL A 133 23.498 -6.181 -10.895 1.00 0.00 C ATOM 2180 CG1 VAL A 133 24.315 -4.871 -10.845 1.00 0.00 C ATOM 2181 CG2 VAL A 133 23.885 -7.028 -9.667 1.00 0.00 C ATOM 0 H VAL A 133 21.499 -5.509 -9.072 1.00 0.00 H new ATOM 0 HA VAL A 133 21.910 -5.306 -12.002 1.00 0.00 H new ATOM 0 HB VAL A 133 23.749 -6.769 -11.778 1.00 0.00 H new ATOM 0 HG11 VAL A 133 25.369 -5.105 -10.697 1.00 0.00 H new ATOM 0 HG12 VAL A 133 24.192 -4.329 -11.783 1.00 0.00 H new ATOM 0 HG13 VAL A 133 23.962 -4.253 -10.020 1.00 0.00 H new ATOM 0 HG21 VAL A 133 24.969 -7.137 -9.627 1.00 0.00 H new ATOM 0 HG22 VAL A 133 23.536 -6.534 -8.760 1.00 0.00 H new ATOM 0 HG23 VAL A 133 23.424 -8.013 -9.744 1.00 0.00 H new ATOM 2191 N HIS A 134 20.628 -7.967 -10.475 1.00 0.00 N ATOM 2192 CA HIS A 134 19.628 -9.038 -10.712 1.00 0.00 C ATOM 2193 C HIS A 134 18.235 -8.501 -10.300 1.00 0.00 C ATOM 2194 O HIS A 134 17.370 -8.337 -11.188 1.00 0.00 O ATOM 2195 CB HIS A 134 20.078 -10.307 -9.944 1.00 0.00 C ATOM 2196 CG HIS A 134 19.234 -11.553 -10.201 1.00 0.00 C ATOM 2197 ND1 HIS A 134 18.231 -11.993 -9.362 1.00 0.00 N ATOM 2198 CD2 HIS A 134 19.346 -12.415 -11.305 1.00 0.00 C ATOM 2199 CE1 HIS A 134 17.812 -13.100 -10.050 1.00 0.00 C ATOM 2200 NE2 HIS A 134 18.417 -13.444 -11.232 1.00 0.00 N ATOM 2201 OXT HIS A 134 18.002 -8.240 -9.097 1.00 0.00 O ATOM 0 H HIS A 134 20.893 -7.861 -9.496 1.00 0.00 H new ATOM 0 HA HIS A 134 19.554 -9.322 -11.762 1.00 0.00 H new ATOM 0 HB2 HIS A 134 21.112 -10.526 -10.210 1.00 0.00 H new ATOM 0 HB3 HIS A 134 20.063 -10.091 -8.876 1.00 0.00 H new ATOM 0 HD2 HIS A 134 20.061 -12.293 -12.105 1.00 0.00 H new ATOM 0 HE1 HIS A 134 17.004 -13.703 -9.662 1.00 0.00 H new ATOM 0 HE2 HIS A 134 18.238 -14.222 -11.867 1.00 0.00 H new TER 2209 HIS A 134