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 10 MET CE :methyl -177:sc= 0 (180deg=-0.00617) USER MOD Set 1.2: A 119 MET CE :methyl -121:sc= 0 (180deg=-0.0152) USER MOD Set 1.3: A 128 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Set 2.1: A 94 GLN : amide:sc= 1.01 K(o=2.2,f=-0.11) USER MOD Set 2.2: A 107 THR OG1 : rot -92:sc= 1.16 USER MOD Set 3.1: A 13 ASN : amide:sc= 1.02 K(o=2,f=-2.2) USER MOD Set 3.2: A 34 ASN : amide:sc= 0.033 K(o=2,f=-3.4!) USER MOD Set 3.3: A 37 LYS NZ :NH3+ 170:sc= 0.966 (180deg=0) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 163:sc= 0 (180deg=-0.0436) USER MOD Single : A 5 ASN : amide:sc= 0.551 K(o=0.55,f=-2.4!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.642 K(o=0.64,f=-0.4) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.0202 K(o=0.02,f=-0.92) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -111:sc= 0.245 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0.899 K(o=0.9,f=-4.2!) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 157:sc= -0.0522 (180deg=-1.25) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -84:sc= 1.37 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.389 K(o=0.39,f=-3.8!) USER MOD Single : A 60 TYR OH : rot -11:sc= 1.22 USER MOD Single : A 62 MET CE :methyl -120:sc=-0.00658 (180deg=-0.957) USER MOD Single : A 65 GLN : amide:sc= 0.484 X(o=0.48,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 165:sc= 0.377 (180deg=0.27) USER MOD Single : A 75 THR OG1 : rot -66:sc= 1.13 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot 7:sc= 0.229 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 60:sc= 0.205 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 7:sc= 0.355 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot -168:sc= -1.25 USER MOD Single : A 97 GLN : amide:sc= 0.766 K(o=0.77,f=-3!) USER MOD Single : A 98 LYS NZ :NH3+ -176:sc= 0.745 (180deg=0.733) USER MOD Single : A 101 LYS NZ :NH3+ 177:sc= 0.891 (180deg=0.881) USER MOD Single : A 108 GLN : amide:sc= -0.19 K(o=-0.19,f=-1.2) USER MOD Single : A 116 HIS : no HD1:sc=-0.00582 X(o=-0.0058,f=-0.00085) USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 CYS SG : rot 171:sc= -0.84 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.754) 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=-0.0094) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 0.398 -2.591 1.991 1.00 0.00 N ATOM 2 CA MET A 0 0.651 -2.985 0.580 1.00 0.00 C ATOM 3 C MET A 0 2.010 -2.407 0.034 1.00 0.00 C ATOM 4 O MET A 0 1.995 -1.367 -0.634 1.00 0.00 O ATOM 5 CB MET A 0 -0.617 -2.723 -0.283 1.00 0.00 C ATOM 6 CG MET A 0 -1.148 -1.275 -0.394 1.00 0.00 C ATOM 7 SD MET A 0 -2.692 -1.246 -1.331 1.00 0.00 S ATOM 8 CE MET A 0 -3.890 -1.566 -0.022 1.00 0.00 C ATOM 0 H1 MET A 0 -0.606 -2.737 2.217 1.00 0.00 H new ATOM 0 H2 MET A 0 0.984 -3.172 2.624 1.00 0.00 H new ATOM 0 H3 MET A 0 0.640 -1.588 2.120 1.00 0.00 H new ATOM 0 HA MET A 0 0.815 -4.061 0.516 1.00 0.00 H new ATOM 0 HB2 MET A 0 -0.410 -3.078 -1.292 1.00 0.00 H new ATOM 0 HB3 MET A 0 -1.422 -3.342 0.114 1.00 0.00 H new ATOM 0 HG2 MET A 0 -1.311 -0.862 0.602 1.00 0.00 H new ATOM 0 HG3 MET A 0 -0.406 -0.644 -0.883 1.00 0.00 H new ATOM 0 HE1 MET A 0 -4.895 -1.579 -0.444 1.00 0.00 H new ATOM 0 HE2 MET A 0 -3.677 -2.531 0.438 1.00 0.00 H new ATOM 0 HE3 MET A 0 -3.823 -0.782 0.732 1.00 0.00 H new ATOM 19 N PRO A 1 3.208 -3.025 0.280 1.00 0.00 N ATOM 20 CA PRO A 1 4.512 -2.454 -0.164 1.00 0.00 C ATOM 21 C PRO A 1 4.985 -2.869 -1.596 1.00 0.00 C ATOM 22 O PRO A 1 4.520 -3.851 -2.185 1.00 0.00 O ATOM 23 CB PRO A 1 5.435 -3.007 0.940 1.00 0.00 C ATOM 24 CG PRO A 1 4.871 -4.389 1.275 1.00 0.00 C ATOM 25 CD PRO A 1 3.360 -4.197 1.173 1.00 0.00 C ATOM 0 HA PRO A 1 4.483 -1.370 -0.270 1.00 0.00 H new ATOM 0 HB2 PRO A 1 6.466 -3.075 0.594 1.00 0.00 H new ATOM 0 HB3 PRO A 1 5.435 -2.358 1.816 1.00 0.00 H new ATOM 0 HG2 PRO A 1 5.226 -5.147 0.577 1.00 0.00 H new ATOM 0 HG3 PRO A 1 5.167 -4.711 2.273 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.872 -5.080 0.760 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.914 -4.015 2.151 1.00 0.00 H new ATOM 33 N VAL A 2 5.995 -2.149 -2.114 1.00 0.00 N ATOM 34 CA VAL A 2 6.773 -2.595 -3.314 1.00 0.00 C ATOM 35 C VAL A 2 7.806 -3.727 -2.968 1.00 0.00 C ATOM 36 O VAL A 2 8.314 -3.838 -1.845 1.00 0.00 O ATOM 37 CB VAL A 2 7.445 -1.399 -4.081 1.00 0.00 C ATOM 38 CG1 VAL A 2 6.420 -0.469 -4.765 1.00 0.00 C ATOM 39 CG2 VAL A 2 8.444 -0.553 -3.257 1.00 0.00 C ATOM 0 H VAL A 2 6.302 -1.255 -1.731 1.00 0.00 H new ATOM 0 HA VAL A 2 6.046 -3.030 -4.000 1.00 0.00 H new ATOM 0 HB VAL A 2 8.033 -1.911 -4.843 1.00 0.00 H new ATOM 0 HG11 VAL A 2 6.945 0.337 -5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 2 5.837 -1.039 -5.488 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.753 -0.047 -4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 2 8.848 0.244 -3.882 1.00 0.00 H new ATOM 0 HG22 VAL A 2 7.931 -0.117 -2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 2 9.258 -1.189 -2.908 1.00 0.00 H new ATOM 49 N ASP A 3 8.127 -4.570 -3.965 1.00 0.00 N ATOM 50 CA ASP A 3 9.101 -5.675 -3.817 1.00 0.00 C ATOM 51 C ASP A 3 10.591 -5.196 -3.833 1.00 0.00 C ATOM 52 O ASP A 3 11.080 -4.671 -4.837 1.00 0.00 O ATOM 53 CB ASP A 3 8.753 -6.742 -4.890 1.00 0.00 C ATOM 54 CG ASP A 3 8.982 -6.388 -6.364 1.00 0.00 C ATOM 55 OD1 ASP A 3 8.239 -5.656 -7.011 1.00 0.00 O ATOM 56 OD2 ASP A 3 10.106 -6.968 -6.869 1.00 0.00 O ATOM 0 H ASP A 3 7.720 -4.508 -4.898 1.00 0.00 H new ATOM 0 HA ASP A 3 9.015 -6.126 -2.828 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.333 -7.638 -4.669 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.702 -7.005 -4.770 1.00 0.00 H new ATOM 62 N PHE A 4 11.324 -5.421 -2.730 1.00 0.00 N ATOM 63 CA PHE A 4 12.806 -5.223 -2.694 1.00 0.00 C ATOM 64 C PHE A 4 13.669 -6.443 -3.203 1.00 0.00 C ATOM 65 O PHE A 4 14.897 -6.390 -3.103 1.00 0.00 O ATOM 66 CB PHE A 4 13.205 -4.767 -1.254 1.00 0.00 C ATOM 67 CG PHE A 4 12.855 -3.355 -0.711 1.00 0.00 C ATOM 68 CD1 PHE A 4 11.940 -2.480 -1.315 1.00 0.00 C ATOM 69 CD2 PHE A 4 13.488 -2.951 0.472 1.00 0.00 C ATOM 70 CE1 PHE A 4 11.681 -1.228 -0.760 1.00 0.00 C ATOM 71 CE2 PHE A 4 13.219 -1.705 1.032 1.00 0.00 C ATOM 72 CZ PHE A 4 12.314 -0.848 0.417 1.00 0.00 C ATOM 0 H PHE A 4 10.927 -5.740 -1.846 1.00 0.00 H new ATOM 0 HA PHE A 4 13.045 -4.447 -3.422 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.766 -5.487 -0.563 1.00 0.00 H new ATOM 0 HB3 PHE A 4 14.287 -4.873 -1.179 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.431 -2.779 -2.219 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.192 -3.613 0.954 1.00 0.00 H new ATOM 0 HE1 PHE A 4 10.989 -0.554 -1.244 1.00 0.00 H new ATOM 0 HE2 PHE A 4 13.713 -1.405 1.944 1.00 0.00 H new ATOM 0 HZ PHE A 4 12.102 0.116 0.855 1.00 0.00 H new ATOM 82 N ASN A 5 13.072 -7.502 -3.791 1.00 0.00 N ATOM 83 CA ASN A 5 13.776 -8.712 -4.295 1.00 0.00 C ATOM 84 C ASN A 5 14.882 -8.433 -5.365 1.00 0.00 C ATOM 85 O ASN A 5 14.579 -8.032 -6.493 1.00 0.00 O ATOM 86 CB ASN A 5 12.698 -9.674 -4.876 1.00 0.00 C ATOM 87 CG ASN A 5 11.646 -10.184 -3.885 1.00 0.00 C ATOM 88 OD1 ASN A 5 10.618 -9.560 -3.648 1.00 0.00 O ATOM 89 ND2 ASN A 5 11.893 -11.292 -3.242 1.00 0.00 N ATOM 0 H ASN A 5 12.063 -7.545 -3.934 1.00 0.00 H new ATOM 0 HA ASN A 5 14.313 -9.150 -3.453 1.00 0.00 H new ATOM 0 HB2 ASN A 5 12.184 -9.162 -5.689 1.00 0.00 H new ATOM 0 HB3 ASN A 5 13.205 -10.535 -5.311 1.00 0.00 H new ATOM 0 HD21 ASN A 5 11.232 -11.636 -2.545 1.00 0.00 H new ATOM 0 HD22 ASN A 5 12.747 -11.815 -3.436 1.00 0.00 H new ATOM 96 N GLY A 6 16.158 -8.657 -5.010 1.00 0.00 N ATOM 97 CA GLY A 6 17.278 -8.393 -5.947 1.00 0.00 C ATOM 98 C GLY A 6 18.680 -8.326 -5.318 1.00 0.00 C ATOM 99 O GLY A 6 18.859 -8.333 -4.097 1.00 0.00 O ATOM 0 H GLY A 6 16.444 -9.014 -4.098 1.00 0.00 H new ATOM 0 HA2 GLY A 6 17.280 -9.173 -6.709 1.00 0.00 H new ATOM 0 HA3 GLY A 6 17.084 -7.449 -6.457 1.00 0.00 H new ATOM 103 N TYR A 7 19.683 -8.228 -6.199 1.00 0.00 N ATOM 104 CA TYR A 7 21.098 -7.996 -5.798 1.00 0.00 C ATOM 105 C TYR A 7 21.459 -6.500 -6.054 1.00 0.00 C ATOM 106 O TYR A 7 21.368 -6.010 -7.186 1.00 0.00 O ATOM 107 CB TYR A 7 22.000 -8.989 -6.581 1.00 0.00 C ATOM 108 CG TYR A 7 23.402 -9.234 -5.992 1.00 0.00 C ATOM 109 CD1 TYR A 7 24.429 -8.299 -6.150 1.00 0.00 C ATOM 110 CD2 TYR A 7 23.670 -10.433 -5.320 1.00 0.00 C ATOM 111 CE1 TYR A 7 25.703 -8.558 -5.651 1.00 0.00 C ATOM 112 CE2 TYR A 7 24.938 -10.680 -4.798 1.00 0.00 C ATOM 113 CZ TYR A 7 25.951 -9.741 -4.961 1.00 0.00 C ATOM 114 OH TYR A 7 27.196 -9.965 -4.437 1.00 0.00 O ATOM 0 H TYR A 7 19.550 -8.305 -7.207 1.00 0.00 H new ATOM 0 HA TYR A 7 21.255 -8.182 -4.735 1.00 0.00 H new ATOM 0 HB2 TYR A 7 21.482 -9.946 -6.646 1.00 0.00 H new ATOM 0 HB3 TYR A 7 22.115 -8.619 -7.600 1.00 0.00 H new ATOM 0 HD1 TYR A 7 24.233 -7.369 -6.663 1.00 0.00 H new ATOM 0 HD2 TYR A 7 22.889 -11.170 -5.206 1.00 0.00 H new ATOM 0 HE1 TYR A 7 26.498 -7.842 -5.799 1.00 0.00 H new ATOM 0 HE2 TYR A 7 25.134 -11.600 -4.267 1.00 0.00 H new ATOM 0 HH TYR A 7 27.209 -10.834 -3.984 1.00 0.00 H new ATOM 124 N TRP A 8 21.852 -5.789 -4.989 1.00 0.00 N ATOM 125 CA TRP A 8 22.024 -4.313 -5.015 1.00 0.00 C ATOM 126 C TRP A 8 23.516 -3.969 -4.686 1.00 0.00 C ATOM 127 O TRP A 8 24.005 -4.289 -3.599 1.00 0.00 O ATOM 128 CB TRP A 8 21.032 -3.669 -3.999 1.00 0.00 C ATOM 129 CG TRP A 8 19.528 -3.966 -4.172 1.00 0.00 C ATOM 130 CD1 TRP A 8 18.825 -5.054 -3.600 1.00 0.00 C ATOM 131 CD2 TRP A 8 18.574 -3.237 -4.859 1.00 0.00 C ATOM 132 NE1 TRP A 8 17.462 -5.037 -3.944 1.00 0.00 N ATOM 133 CE2 TRP A 8 17.325 -3.895 -4.707 1.00 0.00 C ATOM 134 CE3 TRP A 8 18.656 -2.013 -5.571 1.00 0.00 C ATOM 135 CZ2 TRP A 8 16.154 -3.334 -5.262 1.00 0.00 C ATOM 136 CZ3 TRP A 8 17.480 -1.465 -6.086 1.00 0.00 C ATOM 137 CH2 TRP A 8 16.251 -2.121 -5.948 1.00 0.00 C ATOM 0 H TRP A 8 22.061 -6.210 -4.084 1.00 0.00 H new ATOM 0 HA TRP A 8 21.799 -3.908 -6.002 1.00 0.00 H new ATOM 0 HB2 TRP A 8 21.323 -3.989 -2.999 1.00 0.00 H new ATOM 0 HB3 TRP A 8 21.166 -2.588 -4.040 1.00 0.00 H new ATOM 0 HD1 TRP A 8 19.281 -5.807 -2.974 1.00 0.00 H new ATOM 0 HE1 TRP A 8 16.741 -5.712 -3.689 1.00 0.00 H new ATOM 0 HE3 TRP A 8 19.605 -1.517 -5.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 15.202 -3.833 -5.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 17.519 -0.516 -6.601 1.00 0.00 H new ATOM 0 HH2 TRP A 8 15.363 -1.682 -6.379 1.00 0.00 H new ATOM 148 N LYS A 9 24.243 -3.322 -5.611 1.00 0.00 N ATOM 149 CA LYS A 9 25.699 -2.998 -5.454 1.00 0.00 C ATOM 150 C LYS A 9 25.948 -1.504 -5.083 1.00 0.00 C ATOM 151 O LYS A 9 25.287 -0.621 -5.634 1.00 0.00 O ATOM 152 CB LYS A 9 26.486 -3.399 -6.736 1.00 0.00 C ATOM 153 CG LYS A 9 26.283 -2.544 -8.013 1.00 0.00 C ATOM 154 CD LYS A 9 27.281 -2.904 -9.127 1.00 0.00 C ATOM 155 CE LYS A 9 27.052 -2.066 -10.394 1.00 0.00 C ATOM 156 NZ LYS A 9 28.008 -2.469 -11.442 1.00 0.00 N ATOM 0 H LYS A 9 23.851 -3.001 -6.496 1.00 0.00 H new ATOM 0 HA LYS A 9 26.070 -3.587 -4.615 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.548 -3.388 -6.492 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.225 -4.429 -6.979 1.00 0.00 H new ATOM 0 HG2 LYS A 9 25.267 -2.682 -8.381 1.00 0.00 H new ATOM 0 HG3 LYS A 9 26.390 -1.489 -7.761 1.00 0.00 H new ATOM 0 HD2 LYS A 9 28.298 -2.748 -8.768 1.00 0.00 H new ATOM 0 HD3 LYS A 9 27.188 -3.962 -9.370 1.00 0.00 H new ATOM 0 HE2 LYS A 9 26.031 -2.201 -10.750 1.00 0.00 H new ATOM 0 HE3 LYS A 9 27.173 -1.007 -10.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 27.848 -1.898 -12.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 28.979 -2.318 -11.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 27.872 -3.475 -11.667 1.00 0.00 H new ATOM 169 N MET A 10 26.919 -1.192 -4.204 1.00 0.00 N ATOM 170 CA MET A 10 27.138 0.207 -3.733 1.00 0.00 C ATOM 171 C MET A 10 27.623 1.214 -4.834 1.00 0.00 C ATOM 172 O MET A 10 28.666 1.036 -5.471 1.00 0.00 O ATOM 173 CB MET A 10 28.099 0.166 -2.523 1.00 0.00 C ATOM 174 CG MET A 10 28.288 1.516 -1.798 1.00 0.00 C ATOM 175 SD MET A 10 29.253 1.274 -0.302 1.00 0.00 S ATOM 176 CE MET A 10 27.924 0.826 0.823 1.00 0.00 C ATOM 0 H MET A 10 27.563 -1.875 -3.804 1.00 0.00 H new ATOM 0 HA MET A 10 26.166 0.606 -3.442 1.00 0.00 H new ATOM 0 HB2 MET A 10 27.727 -0.566 -1.806 1.00 0.00 H new ATOM 0 HB3 MET A 10 29.073 -0.187 -2.862 1.00 0.00 H new ATOM 0 HG2 MET A 10 28.791 2.225 -2.456 1.00 0.00 H new ATOM 0 HG3 MET A 10 27.317 1.945 -1.550 1.00 0.00 H new ATOM 0 HE1 MET A 10 28.327 0.688 1.826 1.00 0.00 H new ATOM 0 HE2 MET A 10 27.177 1.620 0.838 1.00 0.00 H new ATOM 0 HE3 MET A 10 27.461 -0.102 0.488 1.00 0.00 H new ATOM 186 N LEU A 11 26.863 2.308 -4.979 1.00 0.00 N ATOM 187 CA LEU A 11 27.305 3.535 -5.698 1.00 0.00 C ATOM 188 C LEU A 11 28.054 4.553 -4.769 1.00 0.00 C ATOM 189 O LEU A 11 29.122 5.038 -5.149 1.00 0.00 O ATOM 190 CB LEU A 11 26.078 4.213 -6.382 1.00 0.00 C ATOM 191 CG LEU A 11 25.293 3.410 -7.453 1.00 0.00 C ATOM 192 CD1 LEU A 11 24.092 4.235 -7.945 1.00 0.00 C ATOM 193 CD2 LEU A 11 26.161 3.006 -8.660 1.00 0.00 C ATOM 0 H LEU A 11 25.918 2.378 -4.603 1.00 0.00 H new ATOM 0 HA LEU A 11 28.026 3.226 -6.455 1.00 0.00 H new ATOM 0 HB2 LEU A 11 25.375 4.496 -5.598 1.00 0.00 H new ATOM 0 HB3 LEU A 11 26.425 5.136 -6.847 1.00 0.00 H new ATOM 0 HG LEU A 11 24.958 2.490 -6.973 1.00 0.00 H new ATOM 0 HD11 LEU A 11 23.544 3.667 -8.697 1.00 0.00 H new ATOM 0 HD12 LEU A 11 23.433 4.455 -7.105 1.00 0.00 H new ATOM 0 HD13 LEU A 11 24.446 5.168 -8.382 1.00 0.00 H new ATOM 0 HD21 LEU A 11 25.555 2.447 -9.373 1.00 0.00 H new ATOM 0 HD22 LEU A 11 26.555 3.901 -9.141 1.00 0.00 H new ATOM 0 HD23 LEU A 11 26.989 2.383 -8.321 1.00 0.00 H new ATOM 205 N SER A 12 27.491 4.908 -3.593 1.00 0.00 N ATOM 206 CA SER A 12 28.103 5.882 -2.644 1.00 0.00 C ATOM 207 C SER A 12 28.019 5.413 -1.154 1.00 0.00 C ATOM 208 O SER A 12 27.069 4.738 -0.741 1.00 0.00 O ATOM 209 CB SER A 12 27.443 7.270 -2.853 1.00 0.00 C ATOM 210 OG SER A 12 26.069 7.288 -2.454 1.00 0.00 O ATOM 0 H SER A 12 26.600 4.531 -3.269 1.00 0.00 H new ATOM 0 HA SER A 12 29.169 5.952 -2.861 1.00 0.00 H new ATOM 0 HB2 SER A 12 27.993 8.020 -2.284 1.00 0.00 H new ATOM 0 HB3 SER A 12 27.517 7.549 -3.904 1.00 0.00 H new ATOM 0 HG SER A 12 25.697 8.182 -2.602 1.00 0.00 H new ATOM 216 N ASN A 13 29.010 5.817 -0.336 1.00 0.00 N ATOM 217 CA ASN A 13 29.009 5.591 1.141 1.00 0.00 C ATOM 218 C ASN A 13 29.459 6.889 1.885 1.00 0.00 C ATOM 219 O ASN A 13 30.641 7.087 2.176 1.00 0.00 O ATOM 220 CB ASN A 13 29.777 4.294 1.536 1.00 0.00 C ATOM 221 CG ASN A 13 31.195 4.050 0.992 1.00 0.00 C ATOM 222 OD1 ASN A 13 31.380 3.526 -0.100 1.00 0.00 O ATOM 223 ND2 ASN A 13 32.234 4.371 1.721 1.00 0.00 N ATOM 0 H ASN A 13 29.838 6.310 -0.670 1.00 0.00 H new ATOM 0 HA ASN A 13 27.991 5.396 1.478 1.00 0.00 H new ATOM 0 HB2 ASN A 13 29.838 4.271 2.624 1.00 0.00 H new ATOM 0 HB3 ASN A 13 29.162 3.447 1.233 1.00 0.00 H new ATOM 0 HD21 ASN A 13 33.176 4.184 1.377 1.00 0.00 H new ATOM 0 HD22 ASN A 13 32.102 4.808 2.633 1.00 0.00 H new ATOM 230 N GLU A 14 28.498 7.786 2.179 1.00 0.00 N ATOM 231 CA GLU A 14 28.772 9.112 2.794 1.00 0.00 C ATOM 232 C GLU A 14 28.530 9.071 4.332 1.00 0.00 C ATOM 233 O GLU A 14 27.502 8.574 4.801 1.00 0.00 O ATOM 234 CB GLU A 14 27.884 10.163 2.064 1.00 0.00 C ATOM 235 CG GLU A 14 28.000 11.635 2.546 1.00 0.00 C ATOM 236 CD GLU A 14 29.403 12.241 2.458 1.00 0.00 C ATOM 237 OE1 GLU A 14 30.239 12.121 3.350 1.00 0.00 O ATOM 238 OE2 GLU A 14 29.614 12.899 1.281 1.00 0.00 O ATOM 0 H GLU A 14 27.508 7.618 1.999 1.00 0.00 H new ATOM 0 HA GLU A 14 29.819 9.392 2.673 1.00 0.00 H new ATOM 0 HB2 GLU A 14 28.127 10.133 1.002 1.00 0.00 H new ATOM 0 HB3 GLU A 14 26.843 9.855 2.162 1.00 0.00 H new ATOM 0 HG2 GLU A 14 27.319 12.248 1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 14 27.662 11.689 3.581 1.00 0.00 H new ATOM 246 N ASN A 15 29.484 9.607 5.122 1.00 0.00 N ATOM 247 CA ASN A 15 29.399 9.651 6.622 1.00 0.00 C ATOM 248 C ASN A 15 29.356 8.273 7.393 1.00 0.00 C ATOM 249 O ASN A 15 29.059 8.228 8.591 1.00 0.00 O ATOM 250 CB ASN A 15 28.306 10.696 7.006 1.00 0.00 C ATOM 251 CG ASN A 15 28.413 11.326 8.395 1.00 0.00 C ATOM 252 OD1 ASN A 15 29.483 11.677 8.877 1.00 0.00 O ATOM 253 ND2 ASN A 15 27.306 11.562 9.051 1.00 0.00 N ATOM 0 H ASN A 15 30.338 10.024 4.752 1.00 0.00 H new ATOM 0 HA ASN A 15 30.365 9.985 7.001 1.00 0.00 H new ATOM 0 HB2 ASN A 15 28.327 11.497 6.267 1.00 0.00 H new ATOM 0 HB3 ASN A 15 27.332 10.214 6.926 1.00 0.00 H new ATOM 0 HD21 ASN A 15 27.339 12.034 9.955 1.00 0.00 H new ATOM 0 HD22 ASN A 15 26.410 11.274 8.659 1.00 0.00 H new ATOM 260 N PHE A 16 29.744 7.163 6.732 1.00 0.00 N ATOM 261 CA PHE A 16 29.813 5.807 7.345 1.00 0.00 C ATOM 262 C PHE A 16 30.822 5.647 8.531 1.00 0.00 C ATOM 263 O PHE A 16 30.427 5.119 9.572 1.00 0.00 O ATOM 264 CB PHE A 16 30.012 4.798 6.176 1.00 0.00 C ATOM 265 CG PHE A 16 29.910 3.286 6.470 1.00 0.00 C ATOM 266 CD1 PHE A 16 28.913 2.761 7.302 1.00 0.00 C ATOM 267 CD2 PHE A 16 30.779 2.406 5.814 1.00 0.00 C ATOM 268 CE1 PHE A 16 28.799 1.386 7.489 1.00 0.00 C ATOM 269 CE2 PHE A 16 30.659 1.030 5.995 1.00 0.00 C ATOM 270 CZ PHE A 16 29.670 0.521 6.833 1.00 0.00 C ATOM 0 H PHE A 16 30.022 7.175 5.751 1.00 0.00 H new ATOM 0 HA PHE A 16 28.878 5.601 7.866 1.00 0.00 H new ATOM 0 HB2 PHE A 16 29.276 5.035 5.408 1.00 0.00 H new ATOM 0 HB3 PHE A 16 30.995 4.984 5.744 1.00 0.00 H new ATOM 0 HD1 PHE A 16 28.227 3.428 7.803 1.00 0.00 H new ATOM 0 HD2 PHE A 16 31.547 2.796 5.163 1.00 0.00 H new ATOM 0 HE1 PHE A 16 28.035 0.991 8.143 1.00 0.00 H new ATOM 0 HE2 PHE A 16 31.333 0.358 5.485 1.00 0.00 H new ATOM 0 HZ PHE A 16 29.579 -0.546 6.974 1.00 0.00 H new ATOM 280 N GLU A 17 32.075 6.136 8.424 1.00 0.00 N ATOM 281 CA GLU A 17 33.040 6.131 9.570 1.00 0.00 C ATOM 282 C GLU A 17 32.630 6.948 10.840 1.00 0.00 C ATOM 283 O GLU A 17 32.855 6.451 11.946 1.00 0.00 O ATOM 284 CB GLU A 17 34.463 6.510 9.080 1.00 0.00 C ATOM 285 CG GLU A 17 35.134 5.413 8.218 1.00 0.00 C ATOM 286 CD GLU A 17 36.543 5.713 7.707 1.00 0.00 C ATOM 287 OE1 GLU A 17 37.086 6.815 7.748 1.00 0.00 O ATOM 288 OE2 GLU A 17 37.122 4.601 7.171 1.00 0.00 O ATOM 0 H GLU A 17 32.451 6.539 7.566 1.00 0.00 H new ATOM 0 HA GLU A 17 33.026 5.102 9.930 1.00 0.00 H new ATOM 0 HB2 GLU A 17 34.405 7.431 8.500 1.00 0.00 H new ATOM 0 HB3 GLU A 17 35.093 6.717 9.945 1.00 0.00 H new ATOM 0 HG2 GLU A 17 35.172 4.495 8.804 1.00 0.00 H new ATOM 0 HG3 GLU A 17 34.494 5.216 7.358 1.00 0.00 H new ATOM 296 N GLU A 18 32.007 8.140 10.721 1.00 0.00 N ATOM 297 CA GLU A 18 31.382 8.834 11.889 1.00 0.00 C ATOM 298 C GLU A 18 30.151 8.088 12.522 1.00 0.00 C ATOM 299 O GLU A 18 30.054 8.022 13.748 1.00 0.00 O ATOM 300 CB GLU A 18 31.040 10.293 11.482 1.00 0.00 C ATOM 301 CG GLU A 18 30.914 11.267 12.680 1.00 0.00 C ATOM 302 CD GLU A 18 30.483 12.676 12.276 1.00 0.00 C ATOM 303 OE1 GLU A 18 31.265 13.533 11.873 1.00 0.00 O ATOM 304 OE2 GLU A 18 29.138 12.864 12.423 1.00 0.00 O ATOM 0 H GLU A 18 31.919 8.646 9.840 1.00 0.00 H new ATOM 0 HA GLU A 18 32.117 8.833 12.694 1.00 0.00 H new ATOM 0 HB2 GLU A 18 31.812 10.662 10.807 1.00 0.00 H new ATOM 0 HB3 GLU A 18 30.103 10.294 10.926 1.00 0.00 H new ATOM 0 HG2 GLU A 18 30.193 10.865 13.391 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.873 11.322 13.196 1.00 0.00 H new ATOM 312 N TYR A 19 29.239 7.508 11.711 1.00 0.00 N ATOM 313 CA TYR A 19 28.207 6.529 12.180 1.00 0.00 C ATOM 314 C TYR A 19 28.781 5.285 12.944 1.00 0.00 C ATOM 315 O TYR A 19 28.315 4.975 14.040 1.00 0.00 O ATOM 316 CB TYR A 19 27.327 6.182 10.939 1.00 0.00 C ATOM 317 CG TYR A 19 26.422 4.936 11.028 1.00 0.00 C ATOM 318 CD1 TYR A 19 25.188 4.978 11.687 1.00 0.00 C ATOM 319 CD2 TYR A 19 26.879 3.719 10.511 1.00 0.00 C ATOM 320 CE1 TYR A 19 24.430 3.815 11.822 1.00 0.00 C ATOM 321 CE2 TYR A 19 26.120 2.561 10.645 1.00 0.00 C ATOM 322 CZ TYR A 19 24.890 2.613 11.297 1.00 0.00 C ATOM 323 OH TYR A 19 24.134 1.479 11.425 1.00 0.00 O ATOM 0 H TYR A 19 29.189 7.699 10.710 1.00 0.00 H new ATOM 0 HA TYR A 19 27.592 6.982 12.958 1.00 0.00 H new ATOM 0 HB2 TYR A 19 26.693 7.043 10.726 1.00 0.00 H new ATOM 0 HB3 TYR A 19 27.990 6.055 10.083 1.00 0.00 H new ATOM 0 HD1 TYR A 19 24.823 5.911 12.091 1.00 0.00 H new ATOM 0 HD2 TYR A 19 27.831 3.678 10.003 1.00 0.00 H new ATOM 0 HE1 TYR A 19 23.481 3.849 12.337 1.00 0.00 H new ATOM 0 HE2 TYR A 19 26.483 1.626 10.245 1.00 0.00 H new ATOM 0 HH TYR A 19 24.599 0.727 11.003 1.00 0.00 H new ATOM 333 N LEU A 20 29.784 4.593 12.381 1.00 0.00 N ATOM 334 CA LEU A 20 30.521 3.512 13.087 1.00 0.00 C ATOM 335 C LEU A 20 31.289 3.978 14.376 1.00 0.00 C ATOM 336 O LEU A 20 31.163 3.322 15.412 1.00 0.00 O ATOM 337 CB LEU A 20 31.448 2.811 12.059 1.00 0.00 C ATOM 338 CG LEU A 20 30.824 2.072 10.842 1.00 0.00 C ATOM 339 CD1 LEU A 20 31.936 1.634 9.873 1.00 0.00 C ATOM 340 CD2 LEU A 20 29.977 0.852 11.230 1.00 0.00 C ATOM 0 H LEU A 20 30.112 4.759 11.430 1.00 0.00 H new ATOM 0 HA LEU A 20 29.790 2.804 13.479 1.00 0.00 H new ATOM 0 HB2 LEU A 20 32.130 3.565 11.668 1.00 0.00 H new ATOM 0 HB3 LEU A 20 32.052 2.087 12.605 1.00 0.00 H new ATOM 0 HG LEU A 20 30.150 2.783 10.364 1.00 0.00 H new ATOM 0 HD11 LEU A 20 31.494 1.116 9.022 1.00 0.00 H new ATOM 0 HD12 LEU A 20 32.479 2.511 9.522 1.00 0.00 H new ATOM 0 HD13 LEU A 20 32.624 0.963 10.388 1.00 0.00 H new ATOM 0 HD21 LEU A 20 29.574 0.387 10.330 1.00 0.00 H new ATOM 0 HD22 LEU A 20 30.598 0.132 11.763 1.00 0.00 H new ATOM 0 HD23 LEU A 20 29.156 1.169 11.873 1.00 0.00 H new ATOM 352 N ARG A 21 32.003 5.126 14.378 1.00 0.00 N ATOM 353 CA ARG A 21 32.472 5.791 15.636 1.00 0.00 C ATOM 354 C ARG A 21 31.342 6.068 16.702 1.00 0.00 C ATOM 355 O ARG A 21 31.506 5.701 17.867 1.00 0.00 O ATOM 356 CB ARG A 21 33.249 7.076 15.235 1.00 0.00 C ATOM 357 CG ARG A 21 34.010 7.774 16.387 1.00 0.00 C ATOM 358 CD ARG A 21 34.485 9.195 16.035 1.00 0.00 C ATOM 359 NE ARG A 21 35.729 9.189 15.223 1.00 0.00 N ATOM 360 CZ ARG A 21 36.497 10.256 15.000 1.00 0.00 C ATOM 361 NH1 ARG A 21 36.251 11.462 15.467 1.00 0.00 N ATOM 362 NH2 ARG A 21 37.567 10.097 14.272 1.00 0.00 N ATOM 0 H ARG A 21 32.272 5.619 13.527 1.00 0.00 H new ATOM 0 HA ARG A 21 33.129 5.097 16.160 1.00 0.00 H new ATOM 0 HB2 ARG A 21 33.963 6.820 14.452 1.00 0.00 H new ATOM 0 HB3 ARG A 21 32.545 7.787 14.803 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.363 7.822 17.263 1.00 0.00 H new ATOM 0 HG3 ARG A 21 34.874 7.168 16.661 1.00 0.00 H new ATOM 0 HD2 ARG A 21 33.698 9.713 15.487 1.00 0.00 H new ATOM 0 HD3 ARG A 21 34.656 9.756 16.954 1.00 0.00 H new ATOM 0 HE ARG A 21 36.017 8.304 14.806 1.00 0.00 H new ATOM 0 HH11 ARG A 21 35.425 11.627 16.042 1.00 0.00 H new ATOM 0 HH12 ARG A 21 36.886 12.231 15.254 1.00 0.00 H new ATOM 0 HH21 ARG A 21 37.794 9.178 13.893 1.00 0.00 H new ATOM 0 HH22 ARG A 21 38.177 10.892 14.082 1.00 0.00 H new ATOM 376 N ALA A 22 30.188 6.638 16.298 1.00 0.00 N ATOM 377 CA ALA A 22 28.955 6.688 17.132 1.00 0.00 C ATOM 378 C ALA A 22 28.321 5.334 17.604 1.00 0.00 C ATOM 379 O ALA A 22 27.576 5.348 18.586 1.00 0.00 O ATOM 380 CB ALA A 22 27.933 7.516 16.328 1.00 0.00 C ATOM 0 H ALA A 22 30.078 7.079 15.385 1.00 0.00 H new ATOM 0 HA ALA A 22 29.248 7.128 18.085 1.00 0.00 H new ATOM 0 HB1 ALA A 22 27.002 7.590 16.890 1.00 0.00 H new ATOM 0 HB2 ALA A 22 28.331 8.515 16.153 1.00 0.00 H new ATOM 0 HB3 ALA A 22 27.742 7.029 15.372 1.00 0.00 H new ATOM 386 N LEU A 23 28.631 4.187 16.968 1.00 0.00 N ATOM 387 CA LEU A 23 28.348 2.834 17.532 1.00 0.00 C ATOM 388 C LEU A 23 29.518 2.188 18.360 1.00 0.00 C ATOM 389 O LEU A 23 29.448 0.997 18.679 1.00 0.00 O ATOM 390 CB LEU A 23 27.926 1.920 16.345 1.00 0.00 C ATOM 391 CG LEU A 23 26.568 2.234 15.668 1.00 0.00 C ATOM 392 CD1 LEU A 23 26.397 1.380 14.403 1.00 0.00 C ATOM 393 CD2 LEU A 23 25.379 1.988 16.614 1.00 0.00 C ATOM 0 H LEU A 23 29.082 4.162 16.054 1.00 0.00 H new ATOM 0 HA LEU A 23 27.552 2.944 18.269 1.00 0.00 H new ATOM 0 HB2 LEU A 23 28.705 1.971 15.584 1.00 0.00 H new ATOM 0 HB3 LEU A 23 27.897 0.891 16.703 1.00 0.00 H new ATOM 0 HG LEU A 23 26.577 3.292 15.406 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.439 1.609 13.936 1.00 0.00 H new ATOM 0 HD12 LEU A 23 27.204 1.600 13.704 1.00 0.00 H new ATOM 0 HD13 LEU A 23 26.427 0.324 14.670 1.00 0.00 H new ATOM 0 HD21 LEU A 23 24.448 2.221 16.097 1.00 0.00 H new ATOM 0 HD22 LEU A 23 25.370 0.943 16.923 1.00 0.00 H new ATOM 0 HD23 LEU A 23 25.475 2.626 17.493 1.00 0.00 H new ATOM 405 N ASP A 24 30.575 2.942 18.736 1.00 0.00 N ATOM 406 CA ASP A 24 31.796 2.408 19.422 1.00 0.00 C ATOM 407 C ASP A 24 32.611 1.341 18.604 1.00 0.00 C ATOM 408 O ASP A 24 33.038 0.315 19.144 1.00 0.00 O ATOM 409 CB ASP A 24 31.480 1.976 20.888 1.00 0.00 C ATOM 410 CG ASP A 24 31.022 3.090 21.835 1.00 0.00 C ATOM 411 OD1 ASP A 24 31.510 4.216 21.847 1.00 0.00 O ATOM 412 OD2 ASP A 24 30.015 2.682 22.663 1.00 0.00 O ATOM 0 H ASP A 24 30.615 3.948 18.575 1.00 0.00 H new ATOM 0 HA ASP A 24 32.492 3.245 19.476 1.00 0.00 H new ATOM 0 HB2 ASP A 24 30.706 1.209 20.860 1.00 0.00 H new ATOM 0 HB3 ASP A 24 32.372 1.513 21.309 1.00 0.00 H new ATOM 418 N VAL A 25 32.855 1.600 17.306 1.00 0.00 N ATOM 419 CA VAL A 25 33.560 0.634 16.405 1.00 0.00 C ATOM 420 C VAL A 25 35.082 0.999 16.308 1.00 0.00 C ATOM 421 O VAL A 25 35.481 2.168 16.264 1.00 0.00 O ATOM 422 CB VAL A 25 32.840 0.571 15.013 1.00 0.00 C ATOM 423 CG1 VAL A 25 33.480 -0.411 14.003 1.00 0.00 C ATOM 424 CG2 VAL A 25 31.346 0.170 15.102 1.00 0.00 C ATOM 0 H VAL A 25 32.579 2.467 16.846 1.00 0.00 H new ATOM 0 HA VAL A 25 33.511 -0.372 16.822 1.00 0.00 H new ATOM 0 HB VAL A 25 32.950 1.597 14.662 1.00 0.00 H new ATOM 0 HG11 VAL A 25 32.918 -0.390 13.069 1.00 0.00 H new ATOM 0 HG12 VAL A 25 34.512 -0.116 13.813 1.00 0.00 H new ATOM 0 HG13 VAL A 25 33.461 -1.420 14.415 1.00 0.00 H new ATOM 0 HG21 VAL A 25 30.915 0.148 14.101 1.00 0.00 H new ATOM 0 HG22 VAL A 25 31.261 -0.817 15.556 1.00 0.00 H new ATOM 0 HG23 VAL A 25 30.810 0.897 15.712 1.00 0.00 H new ATOM 434 N ASN A 26 35.936 -0.035 16.237 1.00 0.00 N ATOM 435 CA ASN A 26 37.406 0.110 16.081 1.00 0.00 C ATOM 436 C ASN A 26 37.878 0.601 14.668 1.00 0.00 C ATOM 437 O ASN A 26 37.236 0.349 13.641 1.00 0.00 O ATOM 438 CB ASN A 26 38.033 -1.255 16.497 1.00 0.00 C ATOM 439 CG ASN A 26 37.573 -2.509 15.727 1.00 0.00 C ATOM 440 OD1 ASN A 26 36.492 -3.044 15.943 1.00 0.00 O ATOM 441 ND2 ASN A 26 38.355 -2.995 14.803 1.00 0.00 N ATOM 0 H ASN A 26 35.630 -1.007 16.286 1.00 0.00 H new ATOM 0 HA ASN A 26 37.756 0.916 16.726 1.00 0.00 H new ATOM 0 HB2 ASN A 26 39.115 -1.174 16.394 1.00 0.00 H new ATOM 0 HB3 ASN A 26 37.824 -1.413 17.555 1.00 0.00 H new ATOM 0 HD21 ASN A 26 38.065 -3.813 14.268 1.00 0.00 H new ATOM 0 HD22 ASN A 26 39.257 -2.557 14.616 1.00 0.00 H new ATOM 448 N VAL A 27 39.047 1.272 14.630 1.00 0.00 N ATOM 449 CA VAL A 27 39.616 1.889 13.384 1.00 0.00 C ATOM 450 C VAL A 27 39.842 0.891 12.186 1.00 0.00 C ATOM 451 O VAL A 27 39.528 1.248 11.050 1.00 0.00 O ATOM 452 CB VAL A 27 40.882 2.758 13.732 1.00 0.00 C ATOM 453 CG1 VAL A 27 41.530 3.449 12.504 1.00 0.00 C ATOM 454 CG2 VAL A 27 40.605 3.893 14.753 1.00 0.00 C ATOM 0 H VAL A 27 39.633 1.409 15.454 1.00 0.00 H new ATOM 0 HA VAL A 27 38.847 2.555 12.992 1.00 0.00 H new ATOM 0 HB VAL A 27 41.555 2.013 14.155 1.00 0.00 H new ATOM 0 HG11 VAL A 27 42.395 4.028 12.827 1.00 0.00 H new ATOM 0 HG12 VAL A 27 41.847 2.693 11.786 1.00 0.00 H new ATOM 0 HG13 VAL A 27 40.804 4.113 12.035 1.00 0.00 H new ATOM 0 HG21 VAL A 27 41.525 4.446 14.941 1.00 0.00 H new ATOM 0 HG22 VAL A 27 39.851 4.569 14.350 1.00 0.00 H new ATOM 0 HG23 VAL A 27 40.244 3.462 15.687 1.00 0.00 H new ATOM 464 N ALA A 28 40.340 -0.340 12.418 1.00 0.00 N ATOM 465 CA ALA A 28 40.479 -1.376 11.355 1.00 0.00 C ATOM 466 C ALA A 28 39.160 -1.801 10.623 1.00 0.00 C ATOM 467 O ALA A 28 39.120 -1.761 9.392 1.00 0.00 O ATOM 468 CB ALA A 28 41.238 -2.566 11.974 1.00 0.00 C ATOM 0 H ALA A 28 40.657 -0.650 13.337 1.00 0.00 H new ATOM 0 HA ALA A 28 41.041 -0.933 10.532 1.00 0.00 H new ATOM 0 HB1 ALA A 28 41.361 -3.349 11.225 1.00 0.00 H new ATOM 0 HB2 ALA A 28 42.218 -2.234 12.316 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.673 -2.958 12.819 1.00 0.00 H new ATOM 474 N LEU A 29 38.072 -2.130 11.353 1.00 0.00 N ATOM 475 CA LEU A 29 36.709 -2.302 10.755 1.00 0.00 C ATOM 476 C LEU A 29 36.158 -1.020 10.032 1.00 0.00 C ATOM 477 O LEU A 29 35.738 -1.109 8.876 1.00 0.00 O ATOM 478 CB LEU A 29 35.772 -2.858 11.874 1.00 0.00 C ATOM 479 CG LEU A 29 34.459 -3.597 11.491 1.00 0.00 C ATOM 480 CD1 LEU A 29 33.411 -2.745 10.757 1.00 0.00 C ATOM 481 CD2 LEU A 29 34.714 -4.895 10.707 1.00 0.00 C ATOM 0 H LEU A 29 38.101 -2.284 12.361 1.00 0.00 H new ATOM 0 HA LEU A 29 36.760 -3.020 9.936 1.00 0.00 H new ATOM 0 HB2 LEU A 29 36.364 -3.542 12.482 1.00 0.00 H new ATOM 0 HB3 LEU A 29 35.497 -2.019 12.514 1.00 0.00 H new ATOM 0 HG LEU A 29 34.028 -3.840 12.462 1.00 0.00 H new ATOM 0 HD11 LEU A 29 32.535 -3.356 10.537 1.00 0.00 H new ATOM 0 HD12 LEU A 29 33.118 -1.905 11.387 1.00 0.00 H new ATOM 0 HD13 LEU A 29 33.835 -2.369 9.826 1.00 0.00 H new ATOM 0 HD21 LEU A 29 33.762 -5.368 10.467 1.00 0.00 H new ATOM 0 HD22 LEU A 29 35.247 -4.664 9.785 1.00 0.00 H new ATOM 0 HD23 LEU A 29 35.314 -5.574 11.313 1.00 0.00 H new ATOM 493 N ARG A 30 36.228 0.164 10.673 1.00 0.00 N ATOM 494 CA ARG A 30 35.982 1.485 10.016 1.00 0.00 C ATOM 495 C ARG A 30 36.758 1.787 8.688 1.00 0.00 C ATOM 496 O ARG A 30 36.143 2.285 7.739 1.00 0.00 O ATOM 497 CB ARG A 30 36.236 2.592 11.081 1.00 0.00 C ATOM 498 CG ARG A 30 35.068 2.849 12.065 1.00 0.00 C ATOM 499 CD ARG A 30 35.439 3.574 13.372 1.00 0.00 C ATOM 500 NE ARG A 30 35.968 4.941 13.131 1.00 0.00 N ATOM 501 CZ ARG A 30 36.754 5.611 13.969 1.00 0.00 C ATOM 502 NH1 ARG A 30 37.056 5.214 15.187 1.00 0.00 N ATOM 503 NH2 ARG A 30 37.260 6.737 13.555 1.00 0.00 N ATOM 0 H ARG A 30 36.457 0.242 11.664 1.00 0.00 H new ATOM 0 HA ARG A 30 34.949 1.459 9.669 1.00 0.00 H new ATOM 0 HB2 ARG A 30 37.121 2.322 11.657 1.00 0.00 H new ATOM 0 HB3 ARG A 30 36.465 3.524 10.564 1.00 0.00 H new ATOM 0 HG2 ARG A 30 34.307 3.435 11.550 1.00 0.00 H new ATOM 0 HG3 ARG A 30 34.615 1.891 12.319 1.00 0.00 H new ATOM 0 HD2 ARG A 30 34.559 3.636 14.012 1.00 0.00 H new ATOM 0 HD3 ARG A 30 36.185 2.989 13.910 1.00 0.00 H new ATOM 0 HE ARG A 30 35.709 5.400 12.258 1.00 0.00 H new ATOM 0 HH11 ARG A 30 36.679 4.337 15.546 1.00 0.00 H new ATOM 0 HH12 ARG A 30 37.667 5.784 15.772 1.00 0.00 H new ATOM 0 HH21 ARG A 30 37.049 7.077 12.617 1.00 0.00 H new ATOM 0 HH22 ARG A 30 37.868 7.279 14.169 1.00 0.00 H new ATOM 517 N LYS A 31 38.074 1.518 8.602 1.00 0.00 N ATOM 518 CA LYS A 31 38.848 1.633 7.331 1.00 0.00 C ATOM 519 C LYS A 31 38.534 0.506 6.298 1.00 0.00 C ATOM 520 O LYS A 31 38.202 0.832 5.158 1.00 0.00 O ATOM 521 CB LYS A 31 40.373 1.772 7.617 1.00 0.00 C ATOM 522 CG LYS A 31 40.841 3.012 8.423 1.00 0.00 C ATOM 523 CD LYS A 31 40.630 4.367 7.718 1.00 0.00 C ATOM 524 CE LYS A 31 40.946 5.560 8.633 1.00 0.00 C ATOM 525 NZ LYS A 31 40.557 6.819 7.967 1.00 0.00 N ATOM 0 H LYS A 31 38.636 1.217 9.398 1.00 0.00 H new ATOM 0 HA LYS A 31 38.513 2.551 6.848 1.00 0.00 H new ATOM 0 HB2 LYS A 31 40.697 0.880 8.154 1.00 0.00 H new ATOM 0 HB3 LYS A 31 40.896 1.776 6.660 1.00 0.00 H new ATOM 0 HG2 LYS A 31 40.311 3.029 9.375 1.00 0.00 H new ATOM 0 HG3 LYS A 31 41.901 2.899 8.651 1.00 0.00 H new ATOM 0 HD2 LYS A 31 41.263 4.415 6.832 1.00 0.00 H new ATOM 0 HD3 LYS A 31 39.597 4.439 7.376 1.00 0.00 H new ATOM 0 HE2 LYS A 31 40.411 5.457 9.577 1.00 0.00 H new ATOM 0 HE3 LYS A 31 42.010 5.577 8.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 40.773 7.623 8.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 41.086 6.919 7.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 39.537 6.803 7.763 1.00 0.00 H new ATOM 538 N ILE A 32 38.588 -0.792 6.663 1.00 0.00 N ATOM 539 CA ILE A 32 38.272 -1.928 5.730 1.00 0.00 C ATOM 540 C ILE A 32 36.817 -1.860 5.138 1.00 0.00 C ATOM 541 O ILE A 32 36.668 -1.909 3.914 1.00 0.00 O ATOM 542 CB ILE A 32 38.644 -3.310 6.393 1.00 0.00 C ATOM 543 CG1 ILE A 32 40.155 -3.445 6.769 1.00 0.00 C ATOM 544 CG2 ILE A 32 38.259 -4.531 5.513 1.00 0.00 C ATOM 545 CD1 ILE A 32 40.460 -4.494 7.855 1.00 0.00 C ATOM 0 H ILE A 32 38.848 -1.095 7.601 1.00 0.00 H new ATOM 0 HA ILE A 32 38.907 -1.825 4.850 1.00 0.00 H new ATOM 0 HB ILE A 32 38.052 -3.315 7.308 1.00 0.00 H new ATOM 0 HG12 ILE A 32 40.717 -3.699 5.870 1.00 0.00 H new ATOM 0 HG13 ILE A 32 40.518 -2.475 7.109 1.00 0.00 H new ATOM 0 HG21 ILE A 32 38.541 -5.451 6.024 1.00 0.00 H new ATOM 0 HG22 ILE A 32 37.183 -4.528 5.337 1.00 0.00 H new ATOM 0 HG23 ILE A 32 38.782 -4.471 4.559 1.00 0.00 H new ATOM 0 HD11 ILE A 32 41.532 -4.516 8.049 1.00 0.00 H new ATOM 0 HD12 ILE A 32 39.931 -4.233 8.772 1.00 0.00 H new ATOM 0 HD13 ILE A 32 40.133 -5.476 7.514 1.00 0.00 H new ATOM 557 N ALA A 33 35.762 -1.712 5.964 1.00 0.00 N ATOM 558 CA ALA A 33 34.370 -1.547 5.465 1.00 0.00 C ATOM 559 C ALA A 33 34.039 -0.259 4.643 1.00 0.00 C ATOM 560 O ALA A 33 33.255 -0.342 3.695 1.00 0.00 O ATOM 561 CB ALA A 33 33.442 -1.720 6.683 1.00 0.00 C ATOM 0 H ALA A 33 35.841 -1.703 6.981 1.00 0.00 H new ATOM 0 HA ALA A 33 34.215 -2.310 4.702 1.00 0.00 H new ATOM 0 HB1 ALA A 33 32.404 -1.608 6.369 1.00 0.00 H new ATOM 0 HB2 ALA A 33 33.586 -2.712 7.112 1.00 0.00 H new ATOM 0 HB3 ALA A 33 33.679 -0.963 7.431 1.00 0.00 H new ATOM 567 N ASN A 34 34.629 0.906 4.970 1.00 0.00 N ATOM 568 CA ASN A 34 34.539 2.125 4.111 1.00 0.00 C ATOM 569 C ASN A 34 35.405 2.120 2.800 1.00 0.00 C ATOM 570 O ASN A 34 34.996 2.735 1.812 1.00 0.00 O ATOM 571 CB ASN A 34 34.846 3.339 5.029 1.00 0.00 C ATOM 572 CG ASN A 34 34.274 4.679 4.558 1.00 0.00 C ATOM 573 OD1 ASN A 34 33.068 4.885 4.511 1.00 0.00 O ATOM 574 ND2 ASN A 34 35.092 5.650 4.240 1.00 0.00 N ATOM 0 H ASN A 34 35.176 1.039 5.821 1.00 0.00 H new ATOM 0 HA ASN A 34 33.531 2.171 3.698 1.00 0.00 H new ATOM 0 HB2 ASN A 34 34.457 3.127 6.025 1.00 0.00 H new ATOM 0 HB3 ASN A 34 35.927 3.438 5.123 1.00 0.00 H new ATOM 0 HD21 ASN A 34 34.721 6.558 3.960 1.00 0.00 H new ATOM 0 HD22 ASN A 34 36.100 5.499 4.273 1.00 0.00 H new ATOM 581 N LEU A 35 36.570 1.444 2.783 1.00 0.00 N ATOM 582 CA LEU A 35 37.355 1.191 1.534 1.00 0.00 C ATOM 583 C LEU A 35 36.743 0.120 0.566 1.00 0.00 C ATOM 584 O LEU A 35 36.868 0.266 -0.652 1.00 0.00 O ATOM 585 CB LEU A 35 38.821 0.819 1.913 1.00 0.00 C ATOM 586 CG LEU A 35 39.706 1.940 2.528 1.00 0.00 C ATOM 587 CD1 LEU A 35 40.987 1.339 3.132 1.00 0.00 C ATOM 588 CD2 LEU A 35 40.088 3.021 1.501 1.00 0.00 C ATOM 0 H LEU A 35 37.001 1.056 3.622 1.00 0.00 H new ATOM 0 HA LEU A 35 37.324 2.121 0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 35 38.786 -0.009 2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 35 39.318 0.451 1.015 1.00 0.00 H new ATOM 0 HG LEU A 35 39.111 2.416 3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 35 41.597 2.136 3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 35 40.721 0.627 3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 35 41.552 0.828 2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 35 40.706 3.779 1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 35 40.646 2.565 0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 35 39.184 3.486 1.109 1.00 0.00 H new ATOM 600 N LEU A 36 36.087 -0.937 1.082 1.00 0.00 N ATOM 601 CA LEU A 36 35.290 -1.883 0.252 1.00 0.00 C ATOM 602 C LEU A 36 33.951 -1.254 -0.257 1.00 0.00 C ATOM 603 O LEU A 36 33.344 -0.400 0.399 1.00 0.00 O ATOM 604 CB LEU A 36 34.989 -3.164 1.090 1.00 0.00 C ATOM 605 CG LEU A 36 36.175 -4.117 1.398 1.00 0.00 C ATOM 606 CD1 LEU A 36 35.752 -5.167 2.438 1.00 0.00 C ATOM 607 CD2 LEU A 36 36.694 -4.838 0.141 1.00 0.00 C ATOM 0 H LEU A 36 36.089 -1.165 2.076 1.00 0.00 H new ATOM 0 HA LEU A 36 35.880 -2.131 -0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 36 34.555 -2.850 2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 36 34.225 -3.737 0.565 1.00 0.00 H new ATOM 0 HG LEU A 36 36.983 -3.498 1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 36 36.591 -5.831 2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 36 35.447 -4.667 3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 36 34.917 -5.749 2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 36 37.523 -5.492 0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 36 35.891 -5.432 -0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 36 37.036 -4.101 -0.586 1.00 0.00 H new ATOM 619 N LYS A 37 33.455 -1.747 -1.404 1.00 0.00 N ATOM 620 CA LYS A 37 32.074 -1.449 -1.875 1.00 0.00 C ATOM 621 C LYS A 37 31.150 -2.686 -1.592 1.00 0.00 C ATOM 622 O LYS A 37 31.051 -3.556 -2.468 1.00 0.00 O ATOM 623 CB LYS A 37 32.109 -1.017 -3.370 1.00 0.00 C ATOM 624 CG LYS A 37 32.765 0.351 -3.684 1.00 0.00 C ATOM 625 CD LYS A 37 32.012 1.570 -3.113 1.00 0.00 C ATOM 626 CE LYS A 37 32.692 2.895 -3.483 1.00 0.00 C ATOM 627 NZ LYS A 37 31.932 4.017 -2.899 1.00 0.00 N ATOM 0 H LYS A 37 33.983 -2.355 -2.029 1.00 0.00 H new ATOM 0 HA LYS A 37 31.647 -0.609 -1.327 1.00 0.00 H new ATOM 0 HB2 LYS A 37 32.638 -1.785 -3.934 1.00 0.00 H new ATOM 0 HB3 LYS A 37 31.085 -0.997 -3.742 1.00 0.00 H new ATOM 0 HG2 LYS A 37 33.781 0.351 -3.290 1.00 0.00 H new ATOM 0 HG3 LYS A 37 32.843 0.462 -4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 37 30.989 1.571 -3.488 1.00 0.00 H new ATOM 0 HD3 LYS A 37 31.954 1.484 -2.028 1.00 0.00 H new ATOM 0 HE2 LYS A 37 33.718 2.905 -3.114 1.00 0.00 H new ATOM 0 HE3 LYS A 37 32.742 3.000 -4.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 32.477 4.897 -3.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 31.022 4.114 -3.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 31.761 3.832 -1.890 1.00 0.00 H new ATOM 640 N PRO A 38 30.464 -2.834 -0.413 1.00 0.00 N ATOM 641 CA PRO A 38 29.597 -4.010 -0.136 1.00 0.00 C ATOM 642 C PRO A 38 28.274 -4.078 -0.966 1.00 0.00 C ATOM 643 O PRO A 38 27.885 -3.150 -1.686 1.00 0.00 O ATOM 644 CB PRO A 38 29.399 -3.907 1.393 1.00 0.00 C ATOM 645 CG PRO A 38 29.527 -2.422 1.717 1.00 0.00 C ATOM 646 CD PRO A 38 30.618 -1.947 0.762 1.00 0.00 C ATOM 0 HA PRO A 38 30.049 -4.951 -0.451 1.00 0.00 H new ATOM 0 HB2 PRO A 38 28.423 -4.292 1.690 1.00 0.00 H new ATOM 0 HB3 PRO A 38 30.148 -4.492 1.927 1.00 0.00 H new ATOM 0 HG2 PRO A 38 28.589 -1.892 1.552 1.00 0.00 H new ATOM 0 HG3 PRO A 38 29.805 -2.260 2.758 1.00 0.00 H new ATOM 0 HD2 PRO A 38 30.487 -0.899 0.493 1.00 0.00 H new ATOM 0 HD3 PRO A 38 31.609 -2.040 1.207 1.00 0.00 H new ATOM 654 N ASP A 39 27.620 -5.243 -0.890 1.00 0.00 N ATOM 655 CA ASP A 39 26.478 -5.590 -1.782 1.00 0.00 C ATOM 656 C ASP A 39 25.294 -6.145 -0.936 1.00 0.00 C ATOM 657 O ASP A 39 25.461 -7.068 -0.136 1.00 0.00 O ATOM 658 CB ASP A 39 26.925 -6.608 -2.867 1.00 0.00 C ATOM 659 CG ASP A 39 27.997 -6.112 -3.841 1.00 0.00 C ATOM 660 OD1 ASP A 39 27.748 -5.629 -4.939 1.00 0.00 O ATOM 661 OD2 ASP A 39 29.257 -6.254 -3.345 1.00 0.00 O ATOM 0 H ASP A 39 27.855 -5.974 -0.219 1.00 0.00 H new ATOM 0 HA ASP A 39 26.138 -4.690 -2.294 1.00 0.00 H new ATOM 0 HB2 ASP A 39 27.299 -7.502 -2.368 1.00 0.00 H new ATOM 0 HB3 ASP A 39 26.048 -6.907 -3.442 1.00 0.00 H new ATOM 667 N LYS A 40 24.085 -5.596 -1.119 1.00 0.00 N ATOM 668 CA LYS A 40 22.870 -6.070 -0.405 1.00 0.00 C ATOM 669 C LYS A 40 22.041 -6.999 -1.335 1.00 0.00 C ATOM 670 O LYS A 40 21.425 -6.540 -2.296 1.00 0.00 O ATOM 671 CB LYS A 40 22.070 -4.860 0.154 1.00 0.00 C ATOM 672 CG LYS A 40 22.646 -4.323 1.485 1.00 0.00 C ATOM 673 CD LYS A 40 21.826 -3.177 2.109 1.00 0.00 C ATOM 674 CE LYS A 40 22.236 -2.849 3.559 1.00 0.00 C ATOM 675 NZ LYS A 40 23.560 -2.194 3.643 1.00 0.00 N ATOM 0 H LYS A 40 23.912 -4.819 -1.757 1.00 0.00 H new ATOM 0 HA LYS A 40 23.148 -6.671 0.461 1.00 0.00 H new ATOM 0 HB2 LYS A 40 22.068 -4.059 -0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 40 21.032 -5.156 0.306 1.00 0.00 H new ATOM 0 HG2 LYS A 40 22.706 -5.144 2.200 1.00 0.00 H new ATOM 0 HG3 LYS A 40 23.665 -3.975 1.313 1.00 0.00 H new ATOM 0 HD2 LYS A 40 21.940 -2.283 1.496 1.00 0.00 H new ATOM 0 HD3 LYS A 40 20.769 -3.444 2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 40 21.484 -2.199 4.007 1.00 0.00 H new ATOM 0 HE3 LYS A 40 22.252 -3.768 4.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 24.241 -2.844 4.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 23.886 -1.947 2.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 23.484 -1.330 4.217 1.00 0.00 H new ATOM 688 N GLU A 41 22.015 -8.310 -1.046 1.00 0.00 N ATOM 689 CA GLU A 41 21.080 -9.260 -1.709 1.00 0.00 C ATOM 690 C GLU A 41 19.800 -9.403 -0.831 1.00 0.00 C ATOM 691 O GLU A 41 19.803 -10.059 0.215 1.00 0.00 O ATOM 692 CB GLU A 41 21.824 -10.580 -2.029 1.00 0.00 C ATOM 693 CG GLU A 41 21.000 -11.601 -2.852 1.00 0.00 C ATOM 694 CD GLU A 41 21.726 -12.926 -3.092 1.00 0.00 C ATOM 695 OE1 GLU A 41 22.331 -13.548 -2.223 1.00 0.00 O ATOM 696 OE2 GLU A 41 21.619 -13.349 -4.382 1.00 0.00 O ATOM 0 H GLU A 41 22.628 -8.746 -0.357 1.00 0.00 H new ATOM 0 HA GLU A 41 20.734 -8.892 -2.675 1.00 0.00 H new ATOM 0 HB2 GLU A 41 22.737 -10.344 -2.576 1.00 0.00 H new ATOM 0 HB3 GLU A 41 22.126 -11.048 -1.092 1.00 0.00 H new ATOM 0 HG2 GLU A 41 20.062 -11.800 -2.334 1.00 0.00 H new ATOM 0 HG3 GLU A 41 20.745 -11.157 -3.814 1.00 0.00 H new ATOM 704 N ILE A 42 18.709 -8.740 -1.242 1.00 0.00 N ATOM 705 CA ILE A 42 17.465 -8.657 -0.423 1.00 0.00 C ATOM 706 C ILE A 42 16.495 -9.789 -0.886 1.00 0.00 C ATOM 707 O ILE A 42 16.083 -9.837 -2.050 1.00 0.00 O ATOM 708 CB ILE A 42 16.851 -7.211 -0.439 1.00 0.00 C ATOM 709 CG1 ILE A 42 17.827 -6.149 0.156 1.00 0.00 C ATOM 710 CG2 ILE A 42 15.486 -7.177 0.306 1.00 0.00 C ATOM 711 CD1 ILE A 42 17.411 -4.677 -0.004 1.00 0.00 C ATOM 0 H ILE A 42 18.651 -8.250 -2.135 1.00 0.00 H new ATOM 0 HA ILE A 42 17.685 -8.829 0.631 1.00 0.00 H new ATOM 0 HB ILE A 42 16.684 -6.949 -1.484 1.00 0.00 H new ATOM 0 HG12 ILE A 42 17.951 -6.356 1.219 1.00 0.00 H new ATOM 0 HG13 ILE A 42 18.803 -6.282 -0.311 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.083 -6.165 0.280 1.00 0.00 H new ATOM 0 HG22 ILE A 42 14.788 -7.858 -0.181 1.00 0.00 H new ATOM 0 HG23 ILE A 42 15.629 -7.484 1.342 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.166 -4.034 0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.318 -4.438 -1.063 1.00 0.00 H new ATOM 0 HD13 ILE A 42 16.453 -4.514 0.490 1.00 0.00 H new ATOM 723 N VAL A 43 16.115 -10.672 0.052 1.00 0.00 N ATOM 724 CA VAL A 43 15.139 -11.771 -0.213 1.00 0.00 C ATOM 725 C VAL A 43 13.846 -11.444 0.605 1.00 0.00 C ATOM 726 O VAL A 43 13.734 -11.801 1.781 1.00 0.00 O ATOM 727 CB VAL A 43 15.784 -13.169 0.092 1.00 0.00 C ATOM 728 CG1 VAL A 43 14.808 -14.351 -0.122 1.00 0.00 C ATOM 729 CG2 VAL A 43 17.042 -13.474 -0.758 1.00 0.00 C ATOM 0 H VAL A 43 16.465 -10.655 1.010 1.00 0.00 H new ATOM 0 HA VAL A 43 14.859 -11.835 -1.265 1.00 0.00 H new ATOM 0 HB VAL A 43 16.057 -13.086 1.144 1.00 0.00 H new ATOM 0 HG11 VAL A 43 15.316 -15.288 0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 43 13.947 -14.236 0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 43 14.473 -14.363 -1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 43 17.432 -14.456 -0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.778 -13.463 -1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 43 17.803 -12.718 -0.566 1.00 0.00 H new ATOM 739 N GLN A 44 12.876 -10.760 -0.032 1.00 0.00 N ATOM 740 CA GLN A 44 11.553 -10.442 0.575 1.00 0.00 C ATOM 741 C GLN A 44 10.525 -11.585 0.282 1.00 0.00 C ATOM 742 O GLN A 44 10.180 -11.837 -0.877 1.00 0.00 O ATOM 743 CB GLN A 44 11.118 -9.063 0.000 1.00 0.00 C ATOM 744 CG GLN A 44 9.812 -8.468 0.593 1.00 0.00 C ATOM 745 CD GLN A 44 9.426 -7.096 0.019 1.00 0.00 C ATOM 746 OE1 GLN A 44 10.254 -6.222 -0.212 1.00 0.00 O ATOM 747 NE2 GLN A 44 8.162 -6.828 -0.204 1.00 0.00 N ATOM 0 H GLN A 44 12.980 -10.408 -0.984 1.00 0.00 H new ATOM 0 HA GLN A 44 11.608 -10.377 1.662 1.00 0.00 H new ATOM 0 HB2 GLN A 44 11.927 -8.351 0.163 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.993 -9.163 -1.078 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.994 -9.167 0.415 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.925 -8.378 1.673 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.451 -7.536 -0.021 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.890 -5.912 -0.560 1.00 0.00 H new ATOM 756 N ASP A 45 10.043 -12.276 1.331 1.00 0.00 N ATOM 757 CA ASP A 45 9.168 -13.473 1.187 1.00 0.00 C ATOM 758 C ASP A 45 7.966 -13.409 2.193 1.00 0.00 C ATOM 759 O ASP A 45 7.905 -14.210 3.133 1.00 0.00 O ATOM 760 CB ASP A 45 10.113 -14.702 1.366 1.00 0.00 C ATOM 761 CG ASP A 45 9.502 -16.080 1.112 1.00 0.00 C ATOM 762 OD1 ASP A 45 9.810 -16.787 0.157 1.00 0.00 O ATOM 763 OD2 ASP A 45 8.599 -16.434 2.075 1.00 0.00 O ATOM 0 H ASP A 45 10.243 -12.029 2.300 1.00 0.00 H new ATOM 0 HA ASP A 45 8.681 -13.538 0.214 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.963 -14.578 0.696 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.504 -14.685 2.383 1.00 0.00 H new ATOM 769 N GLY A 46 6.995 -12.495 1.975 1.00 0.00 N ATOM 770 CA GLY A 46 5.741 -12.429 2.787 1.00 0.00 C ATOM 771 C GLY A 46 5.911 -12.139 4.295 1.00 0.00 C ATOM 772 O GLY A 46 5.959 -13.083 5.084 1.00 0.00 O ATOM 0 H GLY A 46 7.048 -11.787 1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.099 -11.658 2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.214 -13.377 2.679 1.00 0.00 H new ATOM 776 N ASP A 47 6.075 -10.862 4.682 1.00 0.00 N ATOM 777 CA ASP A 47 6.565 -10.452 6.043 1.00 0.00 C ATOM 778 C ASP A 47 8.023 -10.860 6.465 1.00 0.00 C ATOM 779 O ASP A 47 8.706 -10.063 7.105 1.00 0.00 O ATOM 780 CB ASP A 47 5.506 -10.563 7.180 1.00 0.00 C ATOM 781 CG ASP A 47 5.232 -11.952 7.761 1.00 0.00 C ATOM 782 OD1 ASP A 47 6.044 -12.588 8.428 1.00 0.00 O ATOM 783 OD2 ASP A 47 3.983 -12.403 7.458 1.00 0.00 O ATOM 0 H ASP A 47 5.875 -10.071 4.070 1.00 0.00 H new ATOM 0 HA ASP A 47 6.703 -9.383 5.878 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.821 -9.914 7.997 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.564 -10.165 6.802 1.00 0.00 H new ATOM 789 N HIS A 48 8.509 -12.063 6.130 1.00 0.00 N ATOM 790 CA HIS A 48 9.916 -12.478 6.360 1.00 0.00 C ATOM 791 C HIS A 48 10.868 -11.890 5.273 1.00 0.00 C ATOM 792 O HIS A 48 10.684 -12.121 4.074 1.00 0.00 O ATOM 793 CB HIS A 48 9.942 -14.027 6.446 1.00 0.00 C ATOM 794 CG HIS A 48 11.290 -14.646 6.833 1.00 0.00 C ATOM 795 ND1 HIS A 48 11.875 -15.690 6.132 1.00 0.00 N ATOM 796 CD2 HIS A 48 12.099 -14.265 7.921 1.00 0.00 C ATOM 797 CE1 HIS A 48 13.014 -15.847 6.881 1.00 0.00 C ATOM 798 NE2 HIS A 48 13.242 -15.041 7.965 1.00 0.00 N ATOM 0 H HIS A 48 7.941 -12.786 5.689 1.00 0.00 H new ATOM 0 HA HIS A 48 10.294 -12.075 7.299 1.00 0.00 H new ATOM 0 HB2 HIS A 48 9.194 -14.345 7.172 1.00 0.00 H new ATOM 0 HB3 HIS A 48 9.640 -14.432 5.480 1.00 0.00 H new ATOM 0 HD2 HIS A 48 11.860 -13.478 8.621 1.00 0.00 H new ATOM 0 HE1 HIS A 48 13.733 -16.608 6.615 1.00 0.00 H new ATOM 0 HE2 HIS A 48 14.027 -15.020 8.616 1.00 0.00 H new ATOM 806 N MET A 49 11.877 -11.116 5.703 1.00 0.00 N ATOM 807 CA MET A 49 12.854 -10.484 4.785 1.00 0.00 C ATOM 808 C MET A 49 14.308 -10.661 5.311 1.00 0.00 C ATOM 809 O MET A 49 14.629 -10.363 6.468 1.00 0.00 O ATOM 810 CB MET A 49 12.425 -9.018 4.528 1.00 0.00 C ATOM 811 CG MET A 49 13.280 -8.243 3.497 1.00 0.00 C ATOM 812 SD MET A 49 12.343 -6.963 2.625 1.00 0.00 S ATOM 813 CE MET A 49 11.507 -6.083 3.953 1.00 0.00 C ATOM 0 H MET A 49 12.043 -10.908 6.688 1.00 0.00 H new ATOM 0 HA MET A 49 12.856 -10.982 3.815 1.00 0.00 H new ATOM 0 HB2 MET A 49 11.389 -9.015 4.190 1.00 0.00 H new ATOM 0 HB3 MET A 49 12.452 -8.479 5.475 1.00 0.00 H new ATOM 0 HG2 MET A 49 14.126 -7.783 4.007 1.00 0.00 H new ATOM 0 HG3 MET A 49 13.689 -8.945 2.771 1.00 0.00 H new ATOM 0 HE1 MET A 49 11.252 -5.077 3.619 1.00 0.00 H new ATOM 0 HE2 MET A 49 10.597 -6.617 4.227 1.00 0.00 H new ATOM 0 HE3 MET A 49 12.165 -6.021 4.819 1.00 0.00 H new ATOM 823 N ILE A 50 15.188 -11.144 4.418 1.00 0.00 N ATOM 824 CA ILE A 50 16.641 -11.273 4.700 1.00 0.00 C ATOM 825 C ILE A 50 17.362 -10.126 3.925 1.00 0.00 C ATOM 826 O ILE A 50 17.426 -10.148 2.690 1.00 0.00 O ATOM 827 CB ILE A 50 17.223 -12.698 4.365 1.00 0.00 C ATOM 828 CG1 ILE A 50 16.466 -13.921 4.977 1.00 0.00 C ATOM 829 CG2 ILE A 50 18.702 -12.791 4.823 1.00 0.00 C ATOM 830 CD1 ILE A 50 15.284 -14.440 4.137 1.00 0.00 C ATOM 0 H ILE A 50 14.922 -11.456 3.484 1.00 0.00 H new ATOM 0 HA ILE A 50 16.816 -11.174 5.771 1.00 0.00 H new ATOM 0 HB ILE A 50 17.103 -12.773 3.284 1.00 0.00 H new ATOM 0 HG12 ILE A 50 17.177 -14.735 5.119 1.00 0.00 H new ATOM 0 HG13 ILE A 50 16.097 -13.644 5.964 1.00 0.00 H new ATOM 0 HG21 ILE A 50 19.095 -13.780 4.587 1.00 0.00 H new ATOM 0 HG22 ILE A 50 19.291 -12.034 4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 50 18.761 -12.625 5.899 1.00 0.00 H new ATOM 0 HD11 ILE A 50 14.823 -15.288 4.643 1.00 0.00 H new ATOM 0 HD12 ILE A 50 14.548 -13.646 4.015 1.00 0.00 H new ATOM 0 HD13 ILE A 50 15.644 -14.754 3.157 1.00 0.00 H new ATOM 842 N ILE A 51 17.959 -9.165 4.653 1.00 0.00 N ATOM 843 CA ILE A 51 18.899 -8.169 4.052 1.00 0.00 C ATOM 844 C ILE A 51 20.332 -8.804 4.122 1.00 0.00 C ATOM 845 O ILE A 51 21.031 -8.692 5.138 1.00 0.00 O ATOM 846 CB ILE A 51 18.806 -6.756 4.742 1.00 0.00 C ATOM 847 CG1 ILE A 51 17.379 -6.161 4.939 1.00 0.00 C ATOM 848 CG2 ILE A 51 19.719 -5.698 4.071 1.00 0.00 C ATOM 849 CD1 ILE A 51 16.556 -5.832 3.684 1.00 0.00 C ATOM 0 H ILE A 51 17.815 -9.047 5.656 1.00 0.00 H new ATOM 0 HA ILE A 51 18.634 -7.965 3.014 1.00 0.00 H new ATOM 0 HB ILE A 51 19.167 -6.981 5.746 1.00 0.00 H new ATOM 0 HG12 ILE A 51 16.804 -6.865 5.541 1.00 0.00 H new ATOM 0 HG13 ILE A 51 17.476 -5.246 5.524 1.00 0.00 H new ATOM 0 HG21 ILE A 51 19.613 -4.745 4.589 1.00 0.00 H new ATOM 0 HG22 ILE A 51 20.757 -6.027 4.125 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.430 -5.578 3.027 1.00 0.00 H new ATOM 0 HD11 ILE A 51 15.588 -5.427 3.979 1.00 0.00 H new ATOM 0 HD12 ILE A 51 17.089 -5.096 3.082 1.00 0.00 H new ATOM 0 HD13 ILE A 51 16.406 -6.739 3.099 1.00 0.00 H new ATOM 861 N ARG A 52 20.770 -9.489 3.046 1.00 0.00 N ATOM 862 CA ARG A 52 22.104 -10.151 3.009 1.00 0.00 C ATOM 863 C ARG A 52 23.206 -9.096 2.697 1.00 0.00 C ATOM 864 O ARG A 52 23.428 -8.747 1.535 1.00 0.00 O ATOM 865 CB ARG A 52 22.142 -11.303 1.972 1.00 0.00 C ATOM 866 CG ARG A 52 21.157 -12.473 2.180 1.00 0.00 C ATOM 867 CD ARG A 52 21.282 -13.534 1.077 1.00 0.00 C ATOM 868 NE ARG A 52 20.380 -14.668 1.390 1.00 0.00 N ATOM 869 CZ ARG A 52 20.013 -15.614 0.529 1.00 0.00 C ATOM 870 NH1 ARG A 52 20.400 -15.666 -0.728 1.00 0.00 N ATOM 871 NH2 ARG A 52 19.215 -16.550 0.962 1.00 0.00 N ATOM 0 H ARG A 52 20.226 -9.602 2.190 1.00 0.00 H new ATOM 0 HA ARG A 52 22.293 -10.590 3.988 1.00 0.00 H new ATOM 0 HB2 ARG A 52 21.956 -10.876 0.986 1.00 0.00 H new ATOM 0 HB3 ARG A 52 23.153 -11.711 1.957 1.00 0.00 H new ATOM 0 HG2 ARG A 52 21.342 -12.935 3.150 1.00 0.00 H new ATOM 0 HG3 ARG A 52 20.137 -12.089 2.200 1.00 0.00 H new ATOM 0 HD2 ARG A 52 21.023 -13.103 0.110 1.00 0.00 H new ATOM 0 HD3 ARG A 52 22.312 -13.882 1.005 1.00 0.00 H new ATOM 0 HE ARG A 52 20.012 -14.728 2.339 1.00 0.00 H new ATOM 0 HH11 ARG A 52 21.023 -14.949 -1.100 1.00 0.00 H new ATOM 0 HH12 ARG A 52 20.077 -16.423 -1.330 1.00 0.00 H new ATOM 0 HH21 ARG A 52 18.895 -16.539 1.930 1.00 0.00 H new ATOM 0 HH22 ARG A 52 18.911 -17.293 0.332 1.00 0.00 H new ATOM 885 N THR A 53 23.871 -8.575 3.740 1.00 0.00 N ATOM 886 CA THR A 53 24.882 -7.488 3.588 1.00 0.00 C ATOM 887 C THR A 53 26.287 -8.135 3.371 1.00 0.00 C ATOM 888 O THR A 53 26.917 -8.640 4.307 1.00 0.00 O ATOM 889 CB THR A 53 24.794 -6.512 4.799 1.00 0.00 C ATOM 890 OG1 THR A 53 23.451 -6.071 4.995 1.00 0.00 O ATOM 891 CG2 THR A 53 25.627 -5.234 4.613 1.00 0.00 C ATOM 0 H THR A 53 23.735 -8.882 4.703 1.00 0.00 H new ATOM 0 HA THR A 53 24.685 -6.875 2.709 1.00 0.00 H new ATOM 0 HB THR A 53 25.175 -7.084 5.645 1.00 0.00 H new ATOM 0 HG1 THR A 53 23.416 -5.460 5.761 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.521 -4.599 5.493 1.00 0.00 H new ATOM 0 HG22 THR A 53 26.676 -5.499 4.482 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.276 -4.696 3.732 1.00 0.00 H new ATOM 899 N LEU A 54 26.720 -8.164 2.104 1.00 0.00 N ATOM 900 CA LEU A 54 27.840 -9.014 1.623 1.00 0.00 C ATOM 901 C LEU A 54 29.110 -8.148 1.364 1.00 0.00 C ATOM 902 O LEU A 54 29.029 -7.085 0.740 1.00 0.00 O ATOM 903 CB LEU A 54 27.395 -9.706 0.297 1.00 0.00 C ATOM 904 CG LEU A 54 26.152 -10.642 0.338 1.00 0.00 C ATOM 905 CD1 LEU A 54 25.574 -10.834 -1.074 1.00 0.00 C ATOM 906 CD2 LEU A 54 26.465 -12.007 0.967 1.00 0.00 C ATOM 0 H LEU A 54 26.304 -7.594 1.368 1.00 0.00 H new ATOM 0 HA LEU A 54 28.085 -9.761 2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.199 -8.924 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 54 28.238 -10.288 -0.074 1.00 0.00 H new ATOM 0 HG LEU A 54 25.411 -10.154 0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 54 24.706 -11.491 -1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 54 25.275 -9.867 -1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 54 26.331 -11.280 -1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 54 25.564 -12.621 0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 54 27.241 -12.506 0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 54 26.812 -11.865 1.991 1.00 0.00 H new ATOM 918 N SER A 55 30.293 -8.604 1.809 1.00 0.00 N ATOM 919 CA SER A 55 31.572 -7.874 1.567 1.00 0.00 C ATOM 920 C SER A 55 32.775 -8.836 1.330 1.00 0.00 C ATOM 921 O SER A 55 32.795 -9.967 1.832 1.00 0.00 O ATOM 922 CB SER A 55 31.817 -6.873 2.730 1.00 0.00 C ATOM 923 OG SER A 55 32.412 -7.476 3.884 1.00 0.00 O ATOM 0 H SER A 55 30.402 -9.470 2.337 1.00 0.00 H new ATOM 0 HA SER A 55 31.483 -7.309 0.639 1.00 0.00 H new ATOM 0 HB2 SER A 55 32.462 -6.068 2.377 1.00 0.00 H new ATOM 0 HB3 SER A 55 30.868 -6.419 3.015 1.00 0.00 H new ATOM 0 HG SER A 55 31.714 -7.887 4.435 1.00 0.00 H new ATOM 929 N THR A 56 33.839 -8.367 0.641 1.00 0.00 N ATOM 930 CA THR A 56 35.119 -9.143 0.499 1.00 0.00 C ATOM 931 C THR A 56 36.011 -9.073 1.802 1.00 0.00 C ATOM 932 O THR A 56 37.144 -8.586 1.803 1.00 0.00 O ATOM 933 CB THR A 56 35.849 -8.699 -0.812 1.00 0.00 C ATOM 934 OG1 THR A 56 34.968 -8.679 -1.931 1.00 0.00 O ATOM 935 CG2 THR A 56 37.010 -9.614 -1.235 1.00 0.00 C ATOM 0 H THR A 56 33.850 -7.461 0.172 1.00 0.00 H new ATOM 0 HA THR A 56 34.893 -10.204 0.397 1.00 0.00 H new ATOM 0 HB THR A 56 36.227 -7.709 -0.557 1.00 0.00 H new ATOM 0 HG1 THR A 56 35.460 -8.395 -2.730 1.00 0.00 H new ATOM 0 HG21 THR A 56 37.459 -9.232 -2.152 1.00 0.00 H new ATOM 0 HG22 THR A 56 37.761 -9.637 -0.446 1.00 0.00 H new ATOM 0 HG23 THR A 56 36.634 -10.623 -1.407 1.00 0.00 H new ATOM 943 N PHE A 57 35.448 -9.577 2.915 1.00 0.00 N ATOM 944 CA PHE A 57 36.024 -9.525 4.290 1.00 0.00 C ATOM 945 C PHE A 57 35.056 -10.301 5.249 1.00 0.00 C ATOM 946 O PHE A 57 35.429 -11.353 5.773 1.00 0.00 O ATOM 947 CB PHE A 57 36.351 -8.071 4.766 1.00 0.00 C ATOM 948 CG PHE A 57 36.948 -7.947 6.176 1.00 0.00 C ATOM 949 CD1 PHE A 57 38.268 -8.341 6.423 1.00 0.00 C ATOM 950 CD2 PHE A 57 36.176 -7.435 7.224 1.00 0.00 C ATOM 951 CE1 PHE A 57 38.809 -8.220 7.700 1.00 0.00 C ATOM 952 CE2 PHE A 57 36.718 -7.318 8.501 1.00 0.00 C ATOM 953 CZ PHE A 57 38.036 -7.702 8.737 1.00 0.00 C ATOM 0 H PHE A 57 34.545 -10.051 2.891 1.00 0.00 H new ATOM 0 HA PHE A 57 36.998 -10.015 4.297 1.00 0.00 H new ATOM 0 HB2 PHE A 57 37.048 -7.625 4.056 1.00 0.00 H new ATOM 0 HB3 PHE A 57 35.435 -7.482 4.727 1.00 0.00 H new ATOM 0 HD1 PHE A 57 38.869 -8.741 5.620 1.00 0.00 H new ATOM 0 HD2 PHE A 57 35.156 -7.129 7.042 1.00 0.00 H new ATOM 0 HE1 PHE A 57 39.827 -8.527 7.887 1.00 0.00 H new ATOM 0 HE2 PHE A 57 36.116 -6.929 9.309 1.00 0.00 H new ATOM 0 HZ PHE A 57 38.459 -7.598 9.725 1.00 0.00 H new ATOM 963 N ARG A 58 33.832 -9.781 5.490 1.00 0.00 N ATOM 964 CA ARG A 58 32.805 -10.450 6.335 1.00 0.00 C ATOM 965 C ARG A 58 31.374 -10.179 5.763 1.00 0.00 C ATOM 966 O ARG A 58 31.049 -9.071 5.318 1.00 0.00 O ATOM 967 CB ARG A 58 32.982 -9.981 7.809 1.00 0.00 C ATOM 968 CG ARG A 58 32.103 -10.725 8.845 1.00 0.00 C ATOM 969 CD ARG A 58 32.480 -10.401 10.303 1.00 0.00 C ATOM 970 NE ARG A 58 31.635 -11.165 11.262 1.00 0.00 N ATOM 971 CZ ARG A 58 31.869 -12.410 11.680 1.00 0.00 C ATOM 972 NH1 ARG A 58 32.877 -13.157 11.279 1.00 0.00 N ATOM 973 NH2 ARG A 58 31.038 -12.924 12.541 1.00 0.00 N ATOM 0 H ARG A 58 33.524 -8.887 5.107 1.00 0.00 H new ATOM 0 HA ARG A 58 32.935 -11.532 6.319 1.00 0.00 H new ATOM 0 HB2 ARG A 58 34.028 -10.102 8.089 1.00 0.00 H new ATOM 0 HB3 ARG A 58 32.759 -8.916 7.864 1.00 0.00 H new ATOM 0 HG2 ARG A 58 31.058 -10.464 8.680 1.00 0.00 H new ATOM 0 HG3 ARG A 58 32.192 -11.799 8.683 1.00 0.00 H new ATOM 0 HD2 ARG A 58 33.530 -10.639 10.471 1.00 0.00 H new ATOM 0 HD3 ARG A 58 32.362 -9.332 10.483 1.00 0.00 H new ATOM 0 HE ARG A 58 30.807 -10.697 11.630 1.00 0.00 H new ATOM 0 HH11 ARG A 58 33.546 -12.790 10.602 1.00 0.00 H new ATOM 0 HH12 ARG A 58 32.989 -14.102 11.646 1.00 0.00 H new ATOM 0 HH21 ARG A 58 30.243 -12.377 12.871 1.00 0.00 H new ATOM 0 HH22 ARG A 58 31.182 -13.873 12.885 1.00 0.00 H new ATOM 987 N ASN A 59 30.511 -11.207 5.808 1.00 0.00 N ATOM 988 CA ASN A 59 29.081 -11.091 5.407 1.00 0.00 C ATOM 989 C ASN A 59 28.198 -11.076 6.694 1.00 0.00 C ATOM 990 O ASN A 59 28.221 -12.029 7.480 1.00 0.00 O ATOM 991 CB ASN A 59 28.695 -12.272 4.475 1.00 0.00 C ATOM 992 CG ASN A 59 29.453 -12.375 3.141 1.00 0.00 C ATOM 993 OD1 ASN A 59 29.924 -11.402 2.563 1.00 0.00 O ATOM 994 ND2 ASN A 59 29.577 -13.556 2.590 1.00 0.00 N ATOM 0 H ASN A 59 30.774 -12.142 6.120 1.00 0.00 H new ATOM 0 HA ASN A 59 28.918 -10.165 4.855 1.00 0.00 H new ATOM 0 HB2 ASN A 59 28.845 -13.202 5.024 1.00 0.00 H new ATOM 0 HB3 ASN A 59 27.630 -12.199 4.256 1.00 0.00 H new ATOM 0 HD21 ASN A 59 30.058 -13.654 1.696 1.00 0.00 H new ATOM 0 HD22 ASN A 59 29.192 -14.378 3.055 1.00 0.00 H new ATOM 1001 N TYR A 60 27.436 -9.993 6.921 1.00 0.00 N ATOM 1002 CA TYR A 60 26.679 -9.800 8.197 1.00 0.00 C ATOM 1003 C TYR A 60 25.314 -10.563 8.251 1.00 0.00 C ATOM 1004 O TYR A 60 25.134 -11.397 9.138 1.00 0.00 O ATOM 1005 CB TYR A 60 26.591 -8.274 8.504 1.00 0.00 C ATOM 1006 CG TYR A 60 26.279 -7.921 9.971 1.00 0.00 C ATOM 1007 CD1 TYR A 60 27.261 -8.113 10.949 1.00 0.00 C ATOM 1008 CD2 TYR A 60 25.030 -7.412 10.348 1.00 0.00 C ATOM 1009 CE1 TYR A 60 26.991 -7.819 12.281 1.00 0.00 C ATOM 1010 CE2 TYR A 60 24.769 -7.109 11.685 1.00 0.00 C ATOM 1011 CZ TYR A 60 25.749 -7.321 12.652 1.00 0.00 C ATOM 1012 OH TYR A 60 25.485 -7.093 13.978 1.00 0.00 O ATOM 0 H TYR A 60 27.320 -9.234 6.249 1.00 0.00 H new ATOM 0 HA TYR A 60 27.231 -10.273 9.009 1.00 0.00 H new ATOM 0 HB2 TYR A 60 27.537 -7.808 8.227 1.00 0.00 H new ATOM 0 HB3 TYR A 60 25.822 -7.835 7.869 1.00 0.00 H new ATOM 0 HD1 TYR A 60 28.233 -8.491 10.668 1.00 0.00 H new ATOM 0 HD2 TYR A 60 24.266 -7.253 9.601 1.00 0.00 H new ATOM 0 HE1 TYR A 60 27.751 -7.979 13.031 1.00 0.00 H new ATOM 0 HE2 TYR A 60 23.807 -6.710 11.970 1.00 0.00 H new ATOM 0 HH TYR A 60 26.194 -7.491 14.526 1.00 0.00 H new ATOM 1022 N ILE A 61 24.387 -10.313 7.300 1.00 0.00 N ATOM 1023 CA ILE A 61 23.111 -11.091 7.143 1.00 0.00 C ATOM 1024 C ILE A 61 22.047 -10.693 8.230 1.00 0.00 C ATOM 1025 O ILE A 61 22.043 -11.249 9.332 1.00 0.00 O ATOM 1026 CB ILE A 61 23.284 -12.655 6.970 1.00 0.00 C ATOM 1027 CG1 ILE A 61 24.450 -13.147 6.055 1.00 0.00 C ATOM 1028 CG2 ILE A 61 21.969 -13.366 6.558 1.00 0.00 C ATOM 1029 CD1 ILE A 61 24.400 -12.750 4.568 1.00 0.00 C ATOM 0 H ILE A 61 24.491 -9.567 6.612 1.00 0.00 H new ATOM 0 HA ILE A 61 22.714 -10.785 6.175 1.00 0.00 H new ATOM 0 HB ILE A 61 23.571 -12.947 7.980 1.00 0.00 H new ATOM 0 HG12 ILE A 61 25.386 -12.774 6.472 1.00 0.00 H new ATOM 0 HG13 ILE A 61 24.487 -14.235 6.112 1.00 0.00 H new ATOM 0 HG21 ILE A 61 22.151 -14.436 6.455 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.210 -13.199 7.322 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.621 -12.964 5.607 1.00 0.00 H new ATOM 0 HD11 ILE A 61 25.270 -13.158 4.053 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.491 -13.147 4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 61 24.404 -11.663 4.481 1.00 0.00 H new ATOM 1041 N MET A 62 21.110 -9.776 7.911 1.00 0.00 N ATOM 1042 CA MET A 62 19.980 -9.436 8.825 1.00 0.00 C ATOM 1043 C MET A 62 18.705 -10.233 8.402 1.00 0.00 C ATOM 1044 O MET A 62 17.943 -9.804 7.529 1.00 0.00 O ATOM 1045 CB MET A 62 19.738 -7.902 8.852 1.00 0.00 C ATOM 1046 CG MET A 62 20.791 -7.060 9.599 1.00 0.00 C ATOM 1047 SD MET A 62 20.320 -5.312 9.637 1.00 0.00 S ATOM 1048 CE MET A 62 18.950 -5.309 10.816 1.00 0.00 C ATOM 0 H MET A 62 21.106 -9.256 7.034 1.00 0.00 H new ATOM 0 HA MET A 62 20.233 -9.730 9.844 1.00 0.00 H new ATOM 0 HB2 MET A 62 19.682 -7.546 7.823 1.00 0.00 H new ATOM 0 HB3 MET A 62 18.765 -7.717 9.307 1.00 0.00 H new ATOM 0 HG2 MET A 62 20.903 -7.432 10.617 1.00 0.00 H new ATOM 0 HG3 MET A 62 21.760 -7.168 9.112 1.00 0.00 H new ATOM 0 HE1 MET A 62 18.049 -4.941 10.326 1.00 0.00 H new ATOM 0 HE2 MET A 62 18.779 -6.323 11.177 1.00 0.00 H new ATOM 0 HE3 MET A 62 19.195 -4.661 11.657 1.00 0.00 H new ATOM 1058 N ASP A 63 18.485 -11.400 9.031 1.00 0.00 N ATOM 1059 CA ASP A 63 17.317 -12.278 8.770 1.00 0.00 C ATOM 1060 C ASP A 63 16.161 -12.038 9.791 1.00 0.00 C ATOM 1061 O ASP A 63 16.313 -12.375 10.970 1.00 0.00 O ATOM 1062 CB ASP A 63 17.817 -13.751 8.747 1.00 0.00 C ATOM 1063 CG ASP A 63 18.671 -14.334 9.888 1.00 0.00 C ATOM 1064 OD1 ASP A 63 19.683 -14.996 9.682 1.00 0.00 O ATOM 1065 OD2 ASP A 63 18.181 -14.044 11.131 1.00 0.00 O ATOM 0 H ASP A 63 19.115 -11.769 9.743 1.00 0.00 H new ATOM 0 HA ASP A 63 16.880 -12.038 7.801 1.00 0.00 H new ATOM 0 HB2 ASP A 63 16.933 -14.383 8.659 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.390 -13.876 7.828 1.00 0.00 H new ATOM 1071 N PHE A 64 15.019 -11.474 9.359 1.00 0.00 N ATOM 1072 CA PHE A 64 13.964 -10.988 10.302 1.00 0.00 C ATOM 1073 C PHE A 64 12.519 -11.057 9.720 1.00 0.00 C ATOM 1074 O PHE A 64 12.302 -11.009 8.505 1.00 0.00 O ATOM 1075 CB PHE A 64 14.301 -9.546 10.794 1.00 0.00 C ATOM 1076 CG PHE A 64 14.406 -8.447 9.719 1.00 0.00 C ATOM 1077 CD1 PHE A 64 13.259 -7.913 9.122 1.00 0.00 C ATOM 1078 CD2 PHE A 64 15.664 -8.078 9.242 1.00 0.00 C ATOM 1079 CE1 PHE A 64 13.371 -7.083 8.014 1.00 0.00 C ATOM 1080 CE2 PHE A 64 15.775 -7.224 8.154 1.00 0.00 C ATOM 1081 CZ PHE A 64 14.629 -6.728 7.532 1.00 0.00 C ATOM 0 H PHE A 64 14.793 -11.339 8.374 1.00 0.00 H new ATOM 0 HA PHE A 64 13.971 -11.672 11.150 1.00 0.00 H new ATOM 0 HB2 PHE A 64 13.538 -9.246 11.512 1.00 0.00 H new ATOM 0 HB3 PHE A 64 15.248 -9.584 11.333 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.284 -8.147 9.524 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.554 -8.458 9.721 1.00 0.00 H new ATOM 0 HE1 PHE A 64 12.482 -6.712 7.526 1.00 0.00 H new ATOM 0 HE2 PHE A 64 16.751 -6.943 7.788 1.00 0.00 H new ATOM 0 HZ PHE A 64 14.717 -6.071 6.679 1.00 0.00 H new ATOM 1091 N GLN A 65 11.514 -11.071 10.612 1.00 0.00 N ATOM 1092 CA GLN A 65 10.101 -10.798 10.233 1.00 0.00 C ATOM 1093 C GLN A 65 9.739 -9.296 10.471 1.00 0.00 C ATOM 1094 O GLN A 65 10.035 -8.717 11.520 1.00 0.00 O ATOM 1095 CB GLN A 65 9.166 -11.778 10.989 1.00 0.00 C ATOM 1096 CG GLN A 65 9.252 -13.250 10.509 1.00 0.00 C ATOM 1097 CD GLN A 65 8.231 -14.178 11.167 1.00 0.00 C ATOM 1098 OE1 GLN A 65 8.441 -14.724 12.244 1.00 0.00 O ATOM 1099 NE2 GLN A 65 7.097 -14.384 10.545 1.00 0.00 N ATOM 0 H GLN A 65 11.646 -11.268 11.604 1.00 0.00 H new ATOM 0 HA GLN A 65 9.964 -10.972 9.166 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.405 -11.741 12.052 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.137 -11.434 10.882 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.110 -13.278 9.429 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.254 -13.629 10.709 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.918 -13.932 9.648 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.393 -14.997 10.957 1.00 0.00 H new ATOM 1108 N VAL A 66 9.074 -8.668 9.487 1.00 0.00 N ATOM 1109 CA VAL A 66 8.626 -7.244 9.562 1.00 0.00 C ATOM 1110 C VAL A 66 7.417 -7.128 10.560 1.00 0.00 C ATOM 1111 O VAL A 66 6.409 -7.830 10.423 1.00 0.00 O ATOM 1112 CB VAL A 66 8.291 -6.701 8.126 1.00 0.00 C ATOM 1113 CG1 VAL A 66 7.958 -5.193 8.140 1.00 0.00 C ATOM 1114 CG2 VAL A 66 9.406 -6.865 7.062 1.00 0.00 C ATOM 0 H VAL A 66 8.825 -9.124 8.609 1.00 0.00 H new ATOM 0 HA VAL A 66 9.429 -6.617 9.949 1.00 0.00 H new ATOM 0 HB VAL A 66 7.441 -7.323 7.846 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.733 -4.861 7.127 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.093 -5.017 8.780 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.812 -4.635 8.523 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.065 -6.456 6.111 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.300 -6.332 7.386 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.639 -7.923 6.939 1.00 0.00 H new ATOM 1124 N GLY A 67 7.557 -6.282 11.593 1.00 0.00 N ATOM 1125 CA GLY A 67 6.677 -6.318 12.796 1.00 0.00 C ATOM 1126 C GLY A 67 7.312 -6.929 14.071 1.00 0.00 C ATOM 1127 O GLY A 67 7.210 -6.336 15.146 1.00 0.00 O ATOM 0 H GLY A 67 8.273 -5.556 11.629 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.359 -5.300 13.022 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.779 -6.886 12.551 1.00 0.00 H new ATOM 1131 N LYS A 68 7.947 -8.111 13.965 1.00 0.00 N ATOM 1132 CA LYS A 68 8.669 -8.776 15.078 1.00 0.00 C ATOM 1133 C LYS A 68 9.928 -7.994 15.587 1.00 0.00 C ATOM 1134 O LYS A 68 10.777 -7.544 14.811 1.00 0.00 O ATOM 1135 CB LYS A 68 8.988 -10.185 14.503 1.00 0.00 C ATOM 1136 CG LYS A 68 9.959 -11.118 15.245 1.00 0.00 C ATOM 1137 CD LYS A 68 9.562 -11.513 16.686 1.00 0.00 C ATOM 1138 CE LYS A 68 10.537 -12.479 17.389 1.00 0.00 C ATOM 1139 NZ LYS A 68 11.836 -11.845 17.701 1.00 0.00 N ATOM 0 H LYS A 68 7.976 -8.642 13.095 1.00 0.00 H new ATOM 0 HA LYS A 68 8.071 -8.823 15.988 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.041 -10.716 14.403 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.381 -10.043 13.496 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.072 -12.030 14.659 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.937 -10.637 15.279 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.478 -10.606 17.285 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.574 -11.972 16.662 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.083 -12.841 18.311 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.704 -13.348 16.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.354 -12.433 18.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.396 -11.753 16.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.673 -10.902 18.109 1.00 0.00 H new ATOM 1152 N GLU A 69 10.036 -7.873 16.920 1.00 0.00 N ATOM 1153 CA GLU A 69 11.157 -7.167 17.586 1.00 0.00 C ATOM 1154 C GLU A 69 12.316 -8.161 17.949 1.00 0.00 C ATOM 1155 O GLU A 69 12.159 -9.025 18.819 1.00 0.00 O ATOM 1156 CB GLU A 69 10.534 -6.416 18.791 1.00 0.00 C ATOM 1157 CG GLU A 69 11.472 -5.366 19.421 1.00 0.00 C ATOM 1158 CD GLU A 69 10.817 -4.582 20.553 1.00 0.00 C ATOM 1159 OE1 GLU A 69 10.188 -3.542 20.378 1.00 0.00 O ATOM 1160 OE2 GLU A 69 10.996 -5.180 21.767 1.00 0.00 O ATOM 0 H GLU A 69 9.352 -8.259 17.571 1.00 0.00 H new ATOM 0 HA GLU A 69 11.644 -6.440 16.936 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.618 -5.923 18.466 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.252 -7.142 19.554 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.363 -5.865 19.801 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.801 -4.671 18.648 1.00 0.00 H new ATOM 1168 N PHE A 70 13.463 -8.052 17.255 1.00 0.00 N ATOM 1169 CA PHE A 70 14.576 -9.053 17.310 1.00 0.00 C ATOM 1170 C PHE A 70 15.915 -8.438 17.840 1.00 0.00 C ATOM 1171 O PHE A 70 16.337 -7.365 17.400 1.00 0.00 O ATOM 1172 CB PHE A 70 14.740 -9.724 15.907 1.00 0.00 C ATOM 1173 CG PHE A 70 15.226 -8.837 14.737 1.00 0.00 C ATOM 1174 CD1 PHE A 70 14.318 -8.014 14.067 1.00 0.00 C ATOM 1175 CD2 PHE A 70 16.580 -8.795 14.382 1.00 0.00 C ATOM 1176 CE1 PHE A 70 14.759 -7.125 13.093 1.00 0.00 C ATOM 1177 CE2 PHE A 70 17.017 -7.922 13.387 1.00 0.00 C ATOM 1178 CZ PHE A 70 16.109 -7.077 12.755 1.00 0.00 C ATOM 0 H PHE A 70 13.658 -7.267 16.633 1.00 0.00 H new ATOM 0 HA PHE A 70 14.312 -9.823 18.035 1.00 0.00 H new ATOM 0 HB2 PHE A 70 15.440 -10.553 16.012 1.00 0.00 H new ATOM 0 HB3 PHE A 70 13.778 -10.152 15.626 1.00 0.00 H new ATOM 0 HD1 PHE A 70 13.266 -8.068 14.307 1.00 0.00 H new ATOM 0 HD2 PHE A 70 17.288 -9.441 14.881 1.00 0.00 H new ATOM 0 HE1 PHE A 70 14.055 -6.472 12.599 1.00 0.00 H new ATOM 0 HE2 PHE A 70 18.060 -7.901 13.106 1.00 0.00 H new ATOM 0 HZ PHE A 70 16.452 -6.383 12.002 1.00 0.00 H new ATOM 1188 N GLU A 71 16.619 -9.115 18.761 1.00 0.00 N ATOM 1189 CA GLU A 71 17.919 -8.626 19.306 1.00 0.00 C ATOM 1190 C GLU A 71 19.121 -8.746 18.308 1.00 0.00 C ATOM 1191 O GLU A 71 19.354 -9.815 17.735 1.00 0.00 O ATOM 1192 CB GLU A 71 18.197 -9.280 20.692 1.00 0.00 C ATOM 1193 CG GLU A 71 18.372 -10.822 20.784 1.00 0.00 C ATOM 1194 CD GLU A 71 17.075 -11.622 20.921 1.00 0.00 C ATOM 1195 OE1 GLU A 71 16.562 -11.904 21.998 1.00 0.00 O ATOM 1196 OE2 GLU A 71 16.551 -11.987 19.718 1.00 0.00 O ATOM 0 H GLU A 71 16.318 -10.007 19.152 1.00 0.00 H new ATOM 0 HA GLU A 71 17.822 -7.550 19.453 1.00 0.00 H new ATOM 0 HB2 GLU A 71 19.101 -8.823 21.094 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.378 -9.003 21.355 1.00 0.00 H new ATOM 0 HG2 GLU A 71 18.898 -11.165 19.893 1.00 0.00 H new ATOM 0 HG3 GLU A 71 19.010 -11.048 21.638 1.00 0.00 H new ATOM 1204 N GLU A 72 19.920 -7.669 18.136 1.00 0.00 N ATOM 1205 CA GLU A 72 21.137 -7.698 17.259 1.00 0.00 C ATOM 1206 C GLU A 72 22.369 -8.423 17.917 1.00 0.00 C ATOM 1207 O GLU A 72 23.433 -7.828 18.125 1.00 0.00 O ATOM 1208 CB GLU A 72 21.516 -6.247 16.816 1.00 0.00 C ATOM 1209 CG GLU A 72 20.478 -5.398 16.047 1.00 0.00 C ATOM 1210 CD GLU A 72 20.040 -5.911 14.674 1.00 0.00 C ATOM 1211 OE1 GLU A 72 20.734 -6.612 13.941 1.00 0.00 O ATOM 1212 OE2 GLU A 72 18.789 -5.475 14.352 1.00 0.00 O ATOM 0 H GLU A 72 19.755 -6.768 18.585 1.00 0.00 H new ATOM 0 HA GLU A 72 20.876 -8.291 16.382 1.00 0.00 H new ATOM 0 HB2 GLU A 72 21.794 -5.692 17.712 1.00 0.00 H new ATOM 0 HB3 GLU A 72 22.409 -6.316 16.194 1.00 0.00 H new ATOM 0 HG2 GLU A 72 19.590 -5.302 16.672 1.00 0.00 H new ATOM 0 HG3 GLU A 72 20.888 -4.396 15.919 1.00 0.00 H new ATOM 1220 N ASP A 73 22.251 -9.726 18.239 1.00 0.00 N ATOM 1221 CA ASP A 73 23.339 -10.499 18.910 1.00 0.00 C ATOM 1222 C ASP A 73 24.352 -11.128 17.888 1.00 0.00 C ATOM 1223 O ASP A 73 24.466 -12.350 17.765 1.00 0.00 O ATOM 1224 CB ASP A 73 22.690 -11.476 19.938 1.00 0.00 C ATOM 1225 CG ASP A 73 21.910 -12.696 19.425 1.00 0.00 C ATOM 1226 OD1 ASP A 73 22.211 -13.854 19.692 1.00 0.00 O ATOM 1227 OD2 ASP A 73 20.836 -12.357 18.661 1.00 0.00 O ATOM 0 H ASP A 73 21.413 -10.276 18.048 1.00 0.00 H new ATOM 0 HA ASP A 73 23.988 -9.837 19.483 1.00 0.00 H new ATOM 0 HB2 ASP A 73 23.485 -11.844 20.587 1.00 0.00 H new ATOM 0 HB3 ASP A 73 22.013 -10.893 20.562 1.00 0.00 H new ATOM 1233 N LEU A 74 25.059 -10.279 17.115 1.00 0.00 N ATOM 1234 CA LEU A 74 25.695 -10.705 15.836 1.00 0.00 C ATOM 1235 C LEU A 74 27.008 -9.900 15.576 1.00 0.00 C ATOM 1236 O LEU A 74 26.993 -8.671 15.424 1.00 0.00 O ATOM 1237 CB LEU A 74 24.621 -10.555 14.715 1.00 0.00 C ATOM 1238 CG LEU A 74 24.985 -11.034 13.287 1.00 0.00 C ATOM 1239 CD1 LEU A 74 25.311 -12.537 13.208 1.00 0.00 C ATOM 1240 CD2 LEU A 74 23.817 -10.715 12.338 1.00 0.00 C ATOM 0 H LEU A 74 25.208 -9.297 17.346 1.00 0.00 H new ATOM 0 HA LEU A 74 26.014 -11.747 15.868 1.00 0.00 H new ATOM 0 HB2 LEU A 74 23.730 -11.098 15.032 1.00 0.00 H new ATOM 0 HB3 LEU A 74 24.348 -9.502 14.654 1.00 0.00 H new ATOM 0 HG LEU A 74 25.890 -10.502 12.994 1.00 0.00 H new ATOM 0 HD11 LEU A 74 25.557 -12.802 12.180 1.00 0.00 H new ATOM 0 HD12 LEU A 74 26.161 -12.759 13.853 1.00 0.00 H new ATOM 0 HD13 LEU A 74 24.446 -13.115 13.535 1.00 0.00 H new ATOM 0 HD21 LEU A 74 24.065 -11.049 11.331 1.00 0.00 H new ATOM 0 HD22 LEU A 74 22.919 -11.230 12.680 1.00 0.00 H new ATOM 0 HD23 LEU A 74 23.638 -9.640 12.330 1.00 0.00 H new ATOM 1252 N THR A 75 28.143 -10.620 15.510 1.00 0.00 N ATOM 1253 CA THR A 75 29.507 -10.024 15.401 1.00 0.00 C ATOM 1254 C THR A 75 29.829 -9.446 13.982 1.00 0.00 C ATOM 1255 O THR A 75 29.573 -10.076 12.950 1.00 0.00 O ATOM 1256 CB THR A 75 30.537 -11.111 15.849 1.00 0.00 C ATOM 1257 OG1 THR A 75 30.288 -11.507 17.196 1.00 0.00 O ATOM 1258 CG2 THR A 75 32.019 -10.698 15.805 1.00 0.00 C ATOM 0 H THR A 75 28.150 -11.640 15.530 1.00 0.00 H new ATOM 0 HA THR A 75 29.566 -9.155 16.056 1.00 0.00 H new ATOM 0 HB THR A 75 30.387 -11.907 15.119 1.00 0.00 H new ATOM 0 HG1 THR A 75 30.469 -10.754 17.797 1.00 0.00 H new ATOM 0 HG21 THR A 75 32.639 -11.531 16.137 1.00 0.00 H new ATOM 0 HG22 THR A 75 32.291 -10.427 14.785 1.00 0.00 H new ATOM 0 HG23 THR A 75 32.178 -9.843 16.462 1.00 0.00 H new ATOM 1266 N GLY A 76 30.414 -8.238 13.948 1.00 0.00 N ATOM 1267 CA GLY A 76 30.793 -7.565 12.676 1.00 0.00 C ATOM 1268 C GLY A 76 30.777 -6.028 12.736 1.00 0.00 C ATOM 1269 O GLY A 76 31.822 -5.404 12.560 1.00 0.00 O ATOM 0 H GLY A 76 30.639 -7.699 14.784 1.00 0.00 H new ATOM 0 HA2 GLY A 76 31.792 -7.894 12.390 1.00 0.00 H new ATOM 0 HA3 GLY A 76 30.112 -7.892 11.890 1.00 0.00 H new ATOM 1273 N ILE A 77 29.601 -5.422 12.972 1.00 0.00 N ATOM 1274 CA ILE A 77 29.458 -3.936 13.095 1.00 0.00 C ATOM 1275 C ILE A 77 29.882 -3.512 14.547 1.00 0.00 C ATOM 1276 O ILE A 77 31.017 -3.072 14.733 1.00 0.00 O ATOM 1277 CB ILE A 77 28.043 -3.455 12.586 1.00 0.00 C ATOM 1278 CG1 ILE A 77 27.737 -3.862 11.108 1.00 0.00 C ATOM 1279 CG2 ILE A 77 27.874 -1.918 12.725 1.00 0.00 C ATOM 1280 CD1 ILE A 77 26.268 -3.720 10.667 1.00 0.00 C ATOM 0 H ILE A 77 28.723 -5.930 13.084 1.00 0.00 H new ATOM 0 HA ILE A 77 30.137 -3.402 12.430 1.00 0.00 H new ATOM 0 HB ILE A 77 27.329 -3.968 13.230 1.00 0.00 H new ATOM 0 HG12 ILE A 77 28.356 -3.254 10.448 1.00 0.00 H new ATOM 0 HG13 ILE A 77 28.041 -4.899 10.966 1.00 0.00 H new ATOM 0 HG21 ILE A 77 26.888 -1.626 12.364 1.00 0.00 H new ATOM 0 HG22 ILE A 77 27.976 -1.634 13.772 1.00 0.00 H new ATOM 0 HG23 ILE A 77 28.640 -1.413 12.136 1.00 0.00 H new ATOM 0 HD11 ILE A 77 26.169 -4.029 9.626 1.00 0.00 H new ATOM 0 HD12 ILE A 77 25.637 -4.350 11.294 1.00 0.00 H new ATOM 0 HD13 ILE A 77 25.957 -2.680 10.768 1.00 0.00 H new ATOM 1292 N ASP A 78 29.017 -3.681 15.568 1.00 0.00 N ATOM 1293 CA ASP A 78 29.416 -3.572 17.005 1.00 0.00 C ATOM 1294 C ASP A 78 28.851 -4.783 17.815 1.00 0.00 C ATOM 1295 O ASP A 78 27.718 -5.221 17.589 1.00 0.00 O ATOM 1296 CB ASP A 78 29.032 -2.190 17.607 1.00 0.00 C ATOM 1297 CG ASP A 78 27.548 -1.871 17.785 1.00 0.00 C ATOM 1298 OD1 ASP A 78 26.998 -1.800 18.880 1.00 0.00 O ATOM 1299 OD2 ASP A 78 26.925 -1.682 16.587 1.00 0.00 O ATOM 0 H ASP A 78 28.029 -3.895 15.432 1.00 0.00 H new ATOM 0 HA ASP A 78 30.503 -3.622 17.074 1.00 0.00 H new ATOM 0 HB2 ASP A 78 29.511 -2.106 18.583 1.00 0.00 H new ATOM 0 HB3 ASP A 78 29.466 -1.417 16.972 1.00 0.00 H new ATOM 1305 N ASP A 79 29.626 -5.323 18.777 1.00 0.00 N ATOM 1306 CA ASP A 79 29.154 -6.465 19.626 1.00 0.00 C ATOM 1307 C ASP A 79 28.452 -5.992 20.944 1.00 0.00 C ATOM 1308 O ASP A 79 28.931 -6.229 22.056 1.00 0.00 O ATOM 1309 CB ASP A 79 30.337 -7.448 19.858 1.00 0.00 C ATOM 1310 CG ASP A 79 30.749 -8.311 18.662 1.00 0.00 C ATOM 1311 OD1 ASP A 79 30.855 -9.533 18.715 1.00 0.00 O ATOM 1312 OD2 ASP A 79 30.970 -7.570 17.538 1.00 0.00 O ATOM 0 H ASP A 79 30.570 -5.001 18.993 1.00 0.00 H new ATOM 0 HA ASP A 79 28.370 -7.005 19.095 1.00 0.00 H new ATOM 0 HB2 ASP A 79 31.204 -6.870 20.177 1.00 0.00 H new ATOM 0 HB3 ASP A 79 30.074 -8.110 20.683 1.00 0.00 H new ATOM 1318 N ARG A 80 27.272 -5.364 20.802 1.00 0.00 N ATOM 1319 CA ARG A 80 26.354 -5.075 21.936 1.00 0.00 C ATOM 1320 C ARG A 80 24.896 -5.069 21.378 1.00 0.00 C ATOM 1321 O ARG A 80 24.546 -4.235 20.536 1.00 0.00 O ATOM 1322 CB ARG A 80 26.759 -3.755 22.649 1.00 0.00 C ATOM 1323 CG ARG A 80 26.000 -3.511 23.980 1.00 0.00 C ATOM 1324 CD ARG A 80 26.543 -2.364 24.852 1.00 0.00 C ATOM 1325 NE ARG A 80 26.251 -1.032 24.263 1.00 0.00 N ATOM 1326 CZ ARG A 80 26.372 0.127 24.906 1.00 0.00 C ATOM 1327 NH1 ARG A 80 26.734 0.247 26.166 1.00 0.00 N ATOM 1328 NH2 ARG A 80 26.110 1.217 24.247 1.00 0.00 N ATOM 0 H ARG A 80 26.921 -5.039 19.901 1.00 0.00 H new ATOM 0 HA ARG A 80 26.419 -5.843 22.707 1.00 0.00 H new ATOM 0 HB2 ARG A 80 27.830 -3.774 22.849 1.00 0.00 H new ATOM 0 HB3 ARG A 80 26.575 -2.917 21.976 1.00 0.00 H new ATOM 0 HG2 ARG A 80 24.955 -3.305 23.749 1.00 0.00 H new ATOM 0 HG3 ARG A 80 26.022 -4.431 24.565 1.00 0.00 H new ATOM 0 HD2 ARG A 80 26.102 -2.425 25.847 1.00 0.00 H new ATOM 0 HD3 ARG A 80 27.620 -2.479 24.973 1.00 0.00 H new ATOM 0 HE ARG A 80 25.934 -1.003 23.294 1.00 0.00 H new ATOM 0 HH11 ARG A 80 26.944 -0.585 26.718 1.00 0.00 H new ATOM 0 HH12 ARG A 80 26.805 1.172 26.590 1.00 0.00 H new ATOM 0 HH21 ARG A 80 25.822 1.165 23.270 1.00 0.00 H new ATOM 0 HH22 ARG A 80 26.192 2.123 24.707 1.00 0.00 H new ATOM 1342 N LYS A 81 24.055 -6.022 21.821 1.00 0.00 N ATOM 1343 CA LYS A 81 22.730 -6.271 21.188 1.00 0.00 C ATOM 1344 C LYS A 81 21.619 -5.203 21.459 1.00 0.00 C ATOM 1345 O LYS A 81 21.571 -4.551 22.507 1.00 0.00 O ATOM 1346 CB LYS A 81 22.281 -7.740 21.434 1.00 0.00 C ATOM 1347 CG LYS A 81 22.094 -8.303 22.861 1.00 0.00 C ATOM 1348 CD LYS A 81 20.970 -7.658 23.694 1.00 0.00 C ATOM 1349 CE LYS A 81 20.708 -8.411 25.006 1.00 0.00 C ATOM 1350 NZ LYS A 81 19.658 -7.718 25.778 1.00 0.00 N ATOM 0 H LYS A 81 24.261 -6.634 22.611 1.00 0.00 H new ATOM 0 HA LYS A 81 22.884 -6.137 20.117 1.00 0.00 H new ATOM 0 HB2 LYS A 81 21.331 -7.871 20.916 1.00 0.00 H new ATOM 0 HB3 LYS A 81 23.008 -8.380 20.934 1.00 0.00 H new ATOM 0 HG2 LYS A 81 21.897 -9.372 22.786 1.00 0.00 H new ATOM 0 HG3 LYS A 81 23.033 -8.189 23.402 1.00 0.00 H new ATOM 0 HD2 LYS A 81 21.235 -6.625 23.918 1.00 0.00 H new ATOM 0 HD3 LYS A 81 20.054 -7.632 23.104 1.00 0.00 H new ATOM 0 HE2 LYS A 81 20.400 -9.435 24.793 1.00 0.00 H new ATOM 0 HE3 LYS A 81 21.625 -8.469 25.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 19.484 -8.231 26.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 19.968 -6.749 25.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 18.781 -7.685 25.220 1.00 0.00 H new ATOM 1363 N CYS A 82 20.726 -5.041 20.469 1.00 0.00 N ATOM 1364 CA CYS A 82 19.590 -4.079 20.536 1.00 0.00 C ATOM 1365 C CYS A 82 18.296 -4.713 19.934 1.00 0.00 C ATOM 1366 O CYS A 82 18.291 -5.217 18.804 1.00 0.00 O ATOM 1367 CB CYS A 82 19.978 -2.770 19.814 1.00 0.00 C ATOM 1368 SG CYS A 82 21.260 -1.870 20.752 1.00 0.00 S ATOM 0 H CYS A 82 20.762 -5.568 19.596 1.00 0.00 H new ATOM 0 HA CYS A 82 19.375 -3.842 21.578 1.00 0.00 H new ATOM 0 HB2 CYS A 82 20.345 -2.996 18.813 1.00 0.00 H new ATOM 0 HB3 CYS A 82 19.097 -2.139 19.696 1.00 0.00 H new ATOM 0 HG CYS A 82 21.660 -2.600 21.750 1.00 0.00 H new ATOM 1374 N MET A 83 17.188 -4.675 20.693 1.00 0.00 N ATOM 1375 CA MET A 83 15.873 -5.237 20.281 1.00 0.00 C ATOM 1376 C MET A 83 15.206 -4.386 19.157 1.00 0.00 C ATOM 1377 O MET A 83 14.738 -3.265 19.369 1.00 0.00 O ATOM 1378 CB MET A 83 14.972 -5.371 21.537 1.00 0.00 C ATOM 1379 CG MET A 83 15.340 -6.531 22.485 1.00 0.00 C ATOM 1380 SD MET A 83 13.923 -6.956 23.521 1.00 0.00 S ATOM 1381 CE MET A 83 13.110 -8.187 22.477 1.00 0.00 C ATOM 0 H MET A 83 17.171 -4.251 21.621 1.00 0.00 H new ATOM 0 HA MET A 83 16.021 -6.227 19.849 1.00 0.00 H new ATOM 0 HB2 MET A 83 15.015 -4.437 22.097 1.00 0.00 H new ATOM 0 HB3 MET A 83 13.940 -5.501 21.212 1.00 0.00 H new ATOM 0 HG2 MET A 83 15.651 -7.400 21.906 1.00 0.00 H new ATOM 0 HG3 MET A 83 16.186 -6.246 23.111 1.00 0.00 H new ATOM 0 HE1 MET A 83 12.212 -8.551 22.976 1.00 0.00 H new ATOM 0 HE2 MET A 83 12.837 -7.733 21.524 1.00 0.00 H new ATOM 0 HE3 MET A 83 13.790 -9.020 22.300 1.00 0.00 H new ATOM 1391 N THR A 84 15.238 -4.917 17.931 1.00 0.00 N ATOM 1392 CA THR A 84 15.032 -4.127 16.696 1.00 0.00 C ATOM 1393 C THR A 84 13.635 -4.415 16.090 1.00 0.00 C ATOM 1394 O THR A 84 13.362 -5.540 15.664 1.00 0.00 O ATOM 1395 CB THR A 84 16.177 -4.469 15.697 1.00 0.00 C ATOM 1396 OG1 THR A 84 17.455 -4.251 16.291 1.00 0.00 O ATOM 1397 CG2 THR A 84 16.134 -3.622 14.418 1.00 0.00 C ATOM 0 H THR A 84 15.407 -5.908 17.758 1.00 0.00 H new ATOM 0 HA THR A 84 15.063 -3.061 16.921 1.00 0.00 H new ATOM 0 HB THR A 84 16.026 -5.518 15.442 1.00 0.00 H new ATOM 0 HG1 THR A 84 17.548 -4.818 17.085 1.00 0.00 H new ATOM 0 HG21 THR A 84 16.957 -3.909 13.764 1.00 0.00 H new ATOM 0 HG22 THR A 84 15.187 -3.788 13.904 1.00 0.00 H new ATOM 0 HG23 THR A 84 16.227 -2.567 14.677 1.00 0.00 H new ATOM 1405 N THR A 85 12.790 -3.383 15.981 1.00 0.00 N ATOM 1406 CA THR A 85 11.547 -3.460 15.163 1.00 0.00 C ATOM 1407 C THR A 85 11.835 -2.887 13.741 1.00 0.00 C ATOM 1408 O THR A 85 12.250 -1.732 13.595 1.00 0.00 O ATOM 1409 CB THR A 85 10.374 -2.719 15.868 1.00 0.00 C ATOM 1410 OG1 THR A 85 10.127 -3.287 17.148 1.00 0.00 O ATOM 1411 CG2 THR A 85 9.032 -2.810 15.121 1.00 0.00 C ATOM 0 H THR A 85 12.932 -2.484 16.442 1.00 0.00 H new ATOM 0 HA THR A 85 11.239 -4.500 15.058 1.00 0.00 H new ATOM 0 HB THR A 85 10.699 -1.679 15.911 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.388 -2.810 17.580 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.268 -2.268 15.678 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.137 -2.371 14.129 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.739 -3.855 15.026 1.00 0.00 H new ATOM 1419 N VAL A 86 11.559 -3.691 12.702 1.00 0.00 N ATOM 1420 CA VAL A 86 11.509 -3.215 11.288 1.00 0.00 C ATOM 1421 C VAL A 86 9.997 -3.146 10.878 1.00 0.00 C ATOM 1422 O VAL A 86 9.209 -4.044 11.194 1.00 0.00 O ATOM 1423 CB VAL A 86 12.383 -4.123 10.355 1.00 0.00 C ATOM 1424 CG1 VAL A 86 12.364 -3.647 8.886 1.00 0.00 C ATOM 1425 CG2 VAL A 86 13.876 -4.195 10.752 1.00 0.00 C ATOM 0 H VAL A 86 11.363 -4.687 12.805 1.00 0.00 H new ATOM 0 HA VAL A 86 11.944 -2.221 11.182 1.00 0.00 H new ATOM 0 HB VAL A 86 11.921 -5.104 10.471 1.00 0.00 H new ATOM 0 HG11 VAL A 86 12.984 -4.309 8.281 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.341 -3.665 8.511 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.754 -2.631 8.828 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.407 -4.843 10.055 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.310 -3.195 10.720 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.965 -4.597 11.761 1.00 0.00 H new ATOM 1435 N SER A 87 9.562 -2.070 10.200 1.00 0.00 N ATOM 1436 CA SER A 87 8.135 -1.873 9.807 1.00 0.00 C ATOM 1437 C SER A 87 7.987 -1.102 8.455 1.00 0.00 C ATOM 1438 O SER A 87 8.784 -0.221 8.118 1.00 0.00 O ATOM 1439 CB SER A 87 7.375 -1.194 10.971 1.00 0.00 C ATOM 1440 OG SER A 87 7.234 -2.111 12.057 1.00 0.00 O ATOM 0 H SER A 87 10.176 -1.311 9.905 1.00 0.00 H new ATOM 0 HA SER A 87 7.684 -2.848 9.623 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.914 -0.306 11.301 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.393 -0.863 10.632 1.00 0.00 H new ATOM 0 HG SER A 87 7.739 -2.928 11.863 1.00 0.00 H new ATOM 1446 N TRP A 88 6.940 -1.431 7.674 1.00 0.00 N ATOM 1447 CA TRP A 88 6.665 -0.761 6.371 1.00 0.00 C ATOM 1448 C TRP A 88 5.869 0.573 6.533 1.00 0.00 C ATOM 1449 O TRP A 88 4.702 0.576 6.936 1.00 0.00 O ATOM 1450 CB TRP A 88 5.878 -1.720 5.429 1.00 0.00 C ATOM 1451 CG TRP A 88 6.708 -2.790 4.716 1.00 0.00 C ATOM 1452 CD1 TRP A 88 6.552 -4.184 4.850 1.00 0.00 C ATOM 1453 CD2 TRP A 88 7.653 -2.615 3.720 1.00 0.00 C ATOM 1454 NE1 TRP A 88 7.418 -4.894 3.996 1.00 0.00 N ATOM 1455 CE2 TRP A 88 8.068 -3.899 3.287 1.00 0.00 C ATOM 1456 CE3 TRP A 88 8.146 -1.445 3.081 1.00 0.00 C ATOM 1457 CZ2 TRP A 88 8.968 -4.024 2.210 1.00 0.00 C ATOM 1458 CZ3 TRP A 88 9.037 -1.598 2.018 1.00 0.00 C ATOM 1459 CH2 TRP A 88 9.440 -2.868 1.590 1.00 0.00 C ATOM 0 H TRP A 88 6.265 -2.157 7.916 1.00 0.00 H new ATOM 0 HA TRP A 88 7.634 -0.515 5.936 1.00 0.00 H new ATOM 0 HB2 TRP A 88 5.105 -2.218 6.014 1.00 0.00 H new ATOM 0 HB3 TRP A 88 5.370 -1.120 4.674 1.00 0.00 H new ATOM 0 HD1 TRP A 88 5.852 -4.652 5.527 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.538 -5.904 3.918 1.00 0.00 H new ATOM 0 HE3 TRP A 88 7.839 -0.463 3.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 9.287 -4.999 1.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 9.422 -0.722 1.517 1.00 0.00 H new ATOM 0 HH2 TRP A 88 10.130 -2.954 0.764 1.00 0.00 H new ATOM 1470 N ASP A 89 6.472 1.690 6.100 1.00 0.00 N ATOM 1471 CA ASP A 89 5.727 2.924 5.732 1.00 0.00 C ATOM 1472 C ASP A 89 5.491 2.953 4.177 1.00 0.00 C ATOM 1473 O ASP A 89 6.125 3.723 3.447 1.00 0.00 O ATOM 1474 CB ASP A 89 6.568 4.091 6.322 1.00 0.00 C ATOM 1475 CG ASP A 89 5.969 5.483 6.134 1.00 0.00 C ATOM 1476 OD1 ASP A 89 4.811 5.774 6.413 1.00 0.00 O ATOM 1477 OD2 ASP A 89 6.867 6.370 5.624 1.00 0.00 O ATOM 0 H ASP A 89 7.483 1.773 5.992 1.00 0.00 H new ATOM 0 HA ASP A 89 4.719 2.992 6.141 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.708 3.914 7.388 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.557 4.073 5.864 1.00 0.00 H new ATOM 1483 N GLY A 90 4.593 2.077 3.674 1.00 0.00 N ATOM 1484 CA GLY A 90 4.335 1.911 2.214 1.00 0.00 C ATOM 1485 C GLY A 90 5.537 1.417 1.373 1.00 0.00 C ATOM 1486 O GLY A 90 5.897 0.240 1.416 1.00 0.00 O ATOM 0 H GLY A 90 4.026 1.465 4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.512 1.208 2.087 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.002 2.868 1.811 1.00 0.00 H new ATOM 1490 N ASP A 91 6.174 2.345 0.647 1.00 0.00 N ATOM 1491 CA ASP A 91 7.485 2.093 -0.030 1.00 0.00 C ATOM 1492 C ASP A 91 8.767 2.195 0.874 1.00 0.00 C ATOM 1493 O ASP A 91 9.809 1.652 0.496 1.00 0.00 O ATOM 1494 CB ASP A 91 7.623 3.066 -1.238 1.00 0.00 C ATOM 1495 CG ASP A 91 6.686 2.845 -2.431 1.00 0.00 C ATOM 1496 OD1 ASP A 91 5.771 2.026 -2.453 1.00 0.00 O ATOM 1497 OD2 ASP A 91 6.996 3.673 -3.471 1.00 0.00 O ATOM 0 H ASP A 91 5.812 3.288 0.504 1.00 0.00 H new ATOM 0 HA ASP A 91 7.451 1.048 -0.337 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.469 4.081 -0.872 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.649 3.010 -1.601 1.00 0.00 H new ATOM 1503 N LYS A 92 8.720 2.909 2.015 1.00 0.00 N ATOM 1504 CA LYS A 92 9.886 3.105 2.915 1.00 0.00 C ATOM 1505 C LYS A 92 9.905 2.014 4.030 1.00 0.00 C ATOM 1506 O LYS A 92 8.968 1.890 4.824 1.00 0.00 O ATOM 1507 CB LYS A 92 9.820 4.530 3.534 1.00 0.00 C ATOM 1508 CG LYS A 92 9.995 5.719 2.554 1.00 0.00 C ATOM 1509 CD LYS A 92 9.837 7.111 3.200 1.00 0.00 C ATOM 1510 CE LYS A 92 11.006 7.503 4.119 1.00 0.00 C ATOM 1511 NZ LYS A 92 10.820 8.871 4.636 1.00 0.00 N ATOM 0 H LYS A 92 7.872 3.370 2.345 1.00 0.00 H new ATOM 0 HA LYS A 92 10.808 3.009 2.341 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.858 4.640 4.035 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.590 4.604 4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.983 5.655 2.098 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.265 5.621 1.750 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.739 7.858 2.412 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.911 7.132 3.775 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.075 6.800 4.949 1.00 0.00 H new ATOM 0 HE3 LYS A 92 11.945 7.440 3.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.618 9.120 5.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.777 9.540 3.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.934 8.920 5.178 1.00 0.00 H new ATOM 1524 N LEU A 93 10.995 1.241 4.111 1.00 0.00 N ATOM 1525 CA LEU A 93 11.208 0.251 5.196 1.00 0.00 C ATOM 1526 C LEU A 93 11.936 0.944 6.394 1.00 0.00 C ATOM 1527 O LEU A 93 13.120 1.293 6.314 1.00 0.00 O ATOM 1528 CB LEU A 93 11.986 -0.925 4.551 1.00 0.00 C ATOM 1529 CG LEU A 93 12.216 -2.179 5.427 1.00 0.00 C ATOM 1530 CD1 LEU A 93 10.905 -2.937 5.704 1.00 0.00 C ATOM 1531 CD2 LEU A 93 13.219 -3.110 4.725 1.00 0.00 C ATOM 0 H LEU A 93 11.757 1.277 3.433 1.00 0.00 H new ATOM 0 HA LEU A 93 10.286 -0.143 5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.451 -1.233 3.653 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.959 -0.552 4.231 1.00 0.00 H new ATOM 0 HG LEU A 93 12.613 -1.852 6.388 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.113 -3.810 6.322 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.208 -2.281 6.226 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.464 -3.258 4.760 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.384 -3.996 5.339 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.820 -3.410 3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 93 14.164 -2.586 4.582 1.00 0.00 H new ATOM 1543 N GLN A 94 11.188 1.184 7.482 1.00 0.00 N ATOM 1544 CA GLN A 94 11.681 1.918 8.677 1.00 0.00 C ATOM 1545 C GLN A 94 12.165 0.937 9.785 1.00 0.00 C ATOM 1546 O GLN A 94 11.494 -0.056 10.079 1.00 0.00 O ATOM 1547 CB GLN A 94 10.529 2.809 9.223 1.00 0.00 C ATOM 1548 CG GLN A 94 10.228 4.075 8.396 1.00 0.00 C ATOM 1549 CD GLN A 94 11.341 5.132 8.424 1.00 0.00 C ATOM 1550 OE1 GLN A 94 12.462 4.977 8.901 1.00 0.00 O ATOM 1551 NE2 GLN A 94 11.082 6.240 7.813 1.00 0.00 N ATOM 0 H GLN A 94 10.219 0.877 7.566 1.00 0.00 H new ATOM 0 HA GLN A 94 12.532 2.534 8.388 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.622 2.207 9.279 1.00 0.00 H new ATOM 0 HB3 GLN A 94 10.776 3.110 10.241 1.00 0.00 H new ATOM 0 HG2 GLN A 94 10.047 3.783 7.361 1.00 0.00 H new ATOM 0 HG3 GLN A 94 9.307 4.525 8.766 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.159 6.395 7.407 1.00 0.00 H new ATOM 0 HE22 GLN A 94 11.800 6.960 7.736 1.00 0.00 H new ATOM 1560 N CYS A 95 13.306 1.232 10.425 1.00 0.00 N ATOM 1561 CA CYS A 95 13.909 0.351 11.454 1.00 0.00 C ATOM 1562 C CYS A 95 14.358 1.152 12.705 1.00 0.00 C ATOM 1563 O CYS A 95 15.115 2.122 12.593 1.00 0.00 O ATOM 1564 CB CYS A 95 15.097 -0.374 10.800 1.00 0.00 C ATOM 1565 SG CYS A 95 15.960 -1.438 12.003 1.00 0.00 S ATOM 0 H CYS A 95 13.840 2.083 10.250 1.00 0.00 H new ATOM 0 HA CYS A 95 13.171 -0.369 11.807 1.00 0.00 H new ATOM 0 HB2 CYS A 95 14.743 -0.978 9.964 1.00 0.00 H new ATOM 0 HB3 CYS A 95 15.794 0.358 10.392 1.00 0.00 H new ATOM 0 HG CYS A 95 17.089 -1.838 11.497 1.00 0.00 H new ATOM 1571 N VAL A 96 13.926 0.708 13.899 1.00 0.00 N ATOM 1572 CA VAL A 96 14.338 1.318 15.198 1.00 0.00 C ATOM 1573 C VAL A 96 15.005 0.229 16.110 1.00 0.00 C ATOM 1574 O VAL A 96 14.410 -0.817 16.391 1.00 0.00 O ATOM 1575 CB VAL A 96 13.136 2.093 15.845 1.00 0.00 C ATOM 1576 CG1 VAL A 96 11.947 1.222 16.315 1.00 0.00 C ATOM 1577 CG2 VAL A 96 13.586 3.002 17.011 1.00 0.00 C ATOM 0 H VAL A 96 13.285 -0.079 14.002 1.00 0.00 H new ATOM 0 HA VAL A 96 15.106 2.076 15.044 1.00 0.00 H new ATOM 0 HB VAL A 96 12.766 2.695 15.015 1.00 0.00 H new ATOM 0 HG11 VAL A 96 11.176 1.861 16.745 1.00 0.00 H new ATOM 0 HG12 VAL A 96 11.536 0.678 15.464 1.00 0.00 H new ATOM 0 HG13 VAL A 96 12.291 0.512 17.067 1.00 0.00 H new ATOM 0 HG21 VAL A 96 12.720 3.517 17.426 1.00 0.00 H new ATOM 0 HG22 VAL A 96 14.053 2.395 17.786 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.303 3.736 16.644 1.00 0.00 H new ATOM 1587 N GLN A 97 16.246 0.481 16.563 1.00 0.00 N ATOM 1588 CA GLN A 97 17.048 -0.484 17.372 1.00 0.00 C ATOM 1589 C GLN A 97 17.032 -0.074 18.884 1.00 0.00 C ATOM 1590 O GLN A 97 17.678 0.901 19.281 1.00 0.00 O ATOM 1591 CB GLN A 97 18.494 -0.509 16.802 1.00 0.00 C ATOM 1592 CG GLN A 97 18.684 -1.080 15.370 1.00 0.00 C ATOM 1593 CD GLN A 97 20.119 -0.997 14.835 1.00 0.00 C ATOM 1594 OE1 GLN A 97 21.060 -1.547 15.400 1.00 0.00 O ATOM 1595 NE2 GLN A 97 20.346 -0.305 13.744 1.00 0.00 N ATOM 0 H GLN A 97 16.732 1.360 16.383 1.00 0.00 H new ATOM 0 HA GLN A 97 16.619 -1.484 17.309 1.00 0.00 H new ATOM 0 HB2 GLN A 97 18.879 0.511 16.813 1.00 0.00 H new ATOM 0 HB3 GLN A 97 19.115 -1.091 17.483 1.00 0.00 H new ATOM 0 HG2 GLN A 97 18.368 -2.123 15.364 1.00 0.00 H new ATOM 0 HG3 GLN A 97 18.024 -0.543 14.688 1.00 0.00 H new ATOM 0 HE21 GLN A 97 19.574 0.158 13.264 1.00 0.00 H new ATOM 0 HE22 GLN A 97 21.294 -0.229 13.376 1.00 0.00 H new ATOM 1604 N LYS A 98 16.295 -0.816 19.731 1.00 0.00 N ATOM 1605 CA LYS A 98 16.015 -0.409 21.142 1.00 0.00 C ATOM 1606 C LYS A 98 16.923 -1.179 22.156 1.00 0.00 C ATOM 1607 O LYS A 98 16.899 -2.412 22.201 1.00 0.00 O ATOM 1608 CB LYS A 98 14.527 -0.718 21.471 1.00 0.00 C ATOM 1609 CG LYS A 98 13.436 -0.064 20.591 1.00 0.00 C ATOM 1610 CD LYS A 98 12.042 -0.597 20.970 1.00 0.00 C ATOM 1611 CE LYS A 98 10.937 -0.079 20.041 1.00 0.00 C ATOM 1612 NZ LYS A 98 9.640 -0.642 20.462 1.00 0.00 N ATOM 0 H LYS A 98 15.875 -1.708 19.471 1.00 0.00 H new ATOM 0 HA LYS A 98 16.224 0.657 21.235 1.00 0.00 H new ATOM 0 HB2 LYS A 98 14.392 -1.798 21.422 1.00 0.00 H new ATOM 0 HB3 LYS A 98 14.345 -0.421 22.504 1.00 0.00 H new ATOM 0 HG2 LYS A 98 13.463 1.019 20.714 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.637 -0.271 19.540 1.00 0.00 H new ATOM 0 HD2 LYS A 98 12.054 -1.687 20.941 1.00 0.00 H new ATOM 0 HD3 LYS A 98 11.814 -0.308 21.996 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.901 1.010 20.072 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.151 -0.361 19.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 8.900 -0.347 19.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.700 -1.680 20.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.404 -0.296 21.414 1.00 0.00 H new ATOM 1625 N GLY A 99 17.692 -0.490 23.014 1.00 0.00 N ATOM 1626 CA GLY A 99 18.542 -1.197 24.019 1.00 0.00 C ATOM 1627 C GLY A 99 19.435 -0.333 24.922 1.00 0.00 C ATOM 1628 O GLY A 99 19.313 -0.388 26.148 1.00 0.00 O ATOM 0 H GLY A 99 17.752 0.528 23.044 1.00 0.00 H new ATOM 0 HA2 GLY A 99 17.886 -1.787 24.659 1.00 0.00 H new ATOM 0 HA3 GLY A 99 19.182 -1.899 23.485 1.00 0.00 H new ATOM 1632 N GLU A 100 20.383 0.405 24.331 1.00 0.00 N ATOM 1633 CA GLU A 100 21.299 1.315 25.086 1.00 0.00 C ATOM 1634 C GLU A 100 21.431 2.716 24.405 1.00 0.00 C ATOM 1635 O GLU A 100 21.134 3.728 25.044 1.00 0.00 O ATOM 1636 CB GLU A 100 22.663 0.640 25.377 1.00 0.00 C ATOM 1637 CG GLU A 100 22.634 -0.567 26.346 1.00 0.00 C ATOM 1638 CD GLU A 100 22.322 -0.279 27.816 1.00 0.00 C ATOM 1639 OE1 GLU A 100 23.193 -0.109 28.665 1.00 0.00 O ATOM 1640 OE2 GLU A 100 20.979 -0.255 28.075 1.00 0.00 O ATOM 0 H GLU A 100 20.548 0.400 23.325 1.00 0.00 H new ATOM 0 HA GLU A 100 20.844 1.506 26.058 1.00 0.00 H new ATOM 0 HB2 GLU A 100 23.091 0.310 24.431 1.00 0.00 H new ATOM 0 HB3 GLU A 100 23.337 1.392 25.786 1.00 0.00 H new ATOM 0 HG2 GLU A 100 21.895 -1.278 25.977 1.00 0.00 H new ATOM 0 HG3 GLU A 100 23.604 -1.062 26.298 1.00 0.00 H new ATOM 1648 N LYS A 101 21.877 2.792 23.133 1.00 0.00 N ATOM 1649 CA LYS A 101 22.116 4.086 22.433 1.00 0.00 C ATOM 1650 C LYS A 101 20.824 4.769 21.882 1.00 0.00 C ATOM 1651 O LYS A 101 19.938 4.142 21.292 1.00 0.00 O ATOM 1652 CB LYS A 101 23.143 3.859 21.291 1.00 0.00 C ATOM 1653 CG LYS A 101 24.600 3.750 21.784 1.00 0.00 C ATOM 1654 CD LYS A 101 25.581 3.374 20.663 1.00 0.00 C ATOM 1655 CE LYS A 101 27.026 3.199 21.167 1.00 0.00 C ATOM 1656 NZ LYS A 101 27.694 4.505 21.343 1.00 0.00 N ATOM 0 H LYS A 101 22.082 1.972 22.562 1.00 0.00 H new ATOM 0 HA LYS A 101 22.508 4.780 23.177 1.00 0.00 H new ATOM 0 HB2 LYS A 101 22.881 2.948 20.754 1.00 0.00 H new ATOM 0 HB3 LYS A 101 23.070 4.681 20.579 1.00 0.00 H new ATOM 0 HG2 LYS A 101 24.903 4.701 22.222 1.00 0.00 H new ATOM 0 HG3 LYS A 101 24.656 3.003 22.576 1.00 0.00 H new ATOM 0 HD2 LYS A 101 25.250 2.448 20.193 1.00 0.00 H new ATOM 0 HD3 LYS A 101 25.560 4.147 19.894 1.00 0.00 H new ATOM 0 HE2 LYS A 101 27.020 2.660 22.114 1.00 0.00 H new ATOM 0 HE3 LYS A 101 27.590 2.592 20.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 28.648 4.358 21.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 27.765 4.985 20.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 27.140 5.093 21.999 1.00 0.00 H new ATOM 1669 N GLU A 102 20.787 6.102 22.035 1.00 0.00 N ATOM 1670 CA GLU A 102 19.697 6.961 21.493 1.00 0.00 C ATOM 1671 C GLU A 102 19.874 7.272 19.971 1.00 0.00 C ATOM 1672 O GLU A 102 20.999 7.347 19.463 1.00 0.00 O ATOM 1673 CB GLU A 102 19.559 8.238 22.374 1.00 0.00 C ATOM 1674 CG GLU A 102 20.740 9.248 22.402 1.00 0.00 C ATOM 1675 CD GLU A 102 20.432 10.527 23.178 1.00 0.00 C ATOM 1676 OE1 GLU A 102 19.898 11.513 22.682 1.00 0.00 O ATOM 1677 OE2 GLU A 102 20.817 10.454 24.482 1.00 0.00 O ATOM 0 H GLU A 102 21.506 6.624 22.536 1.00 0.00 H new ATOM 0 HA GLU A 102 18.757 6.411 21.548 1.00 0.00 H new ATOM 0 HB2 GLU A 102 18.670 8.775 22.043 1.00 0.00 H new ATOM 0 HB3 GLU A 102 19.373 7.916 23.399 1.00 0.00 H new ATOM 0 HG2 GLU A 102 21.610 8.764 22.846 1.00 0.00 H new ATOM 0 HG3 GLU A 102 21.008 9.510 21.378 1.00 0.00 H new ATOM 1685 N GLY A 103 18.758 7.406 19.233 1.00 0.00 N ATOM 1686 CA GLY A 103 18.791 7.565 17.747 1.00 0.00 C ATOM 1687 C GLY A 103 19.317 6.405 16.858 1.00 0.00 C ATOM 1688 O GLY A 103 19.687 6.660 15.713 1.00 0.00 O ATOM 0 H GLY A 103 17.818 7.409 19.629 1.00 0.00 H new ATOM 0 HA2 GLY A 103 17.775 7.789 17.421 1.00 0.00 H new ATOM 0 HA3 GLY A 103 19.397 8.444 17.527 1.00 0.00 H new ATOM 1692 N ARG A 104 19.345 5.162 17.363 1.00 0.00 N ATOM 1693 CA ARG A 104 19.866 3.983 16.630 1.00 0.00 C ATOM 1694 C ARG A 104 18.778 3.358 15.693 1.00 0.00 C ATOM 1695 O ARG A 104 17.726 2.901 16.153 1.00 0.00 O ATOM 1696 CB ARG A 104 20.416 3.008 17.708 1.00 0.00 C ATOM 1697 CG ARG A 104 21.341 1.902 17.150 1.00 0.00 C ATOM 1698 CD ARG A 104 21.789 0.910 18.238 1.00 0.00 C ATOM 1699 NE ARG A 104 22.403 -0.291 17.614 1.00 0.00 N ATOM 1700 CZ ARG A 104 23.417 -0.993 18.114 1.00 0.00 C ATOM 1701 NH1 ARG A 104 24.088 -0.671 19.200 1.00 0.00 N ATOM 1702 NH2 ARG A 104 23.771 -2.076 17.481 1.00 0.00 N ATOM 0 H ARG A 104 19.005 4.938 18.298 1.00 0.00 H new ATOM 0 HA ARG A 104 20.670 4.252 15.945 1.00 0.00 H new ATOM 0 HB2 ARG A 104 20.964 3.582 18.455 1.00 0.00 H new ATOM 0 HB3 ARG A 104 19.576 2.539 18.220 1.00 0.00 H new ATOM 0 HG2 ARG A 104 20.820 1.361 16.360 1.00 0.00 H new ATOM 0 HG3 ARG A 104 22.219 2.361 16.696 1.00 0.00 H new ATOM 0 HD2 ARG A 104 22.506 1.389 18.905 1.00 0.00 H new ATOM 0 HD3 ARG A 104 20.934 0.616 18.847 1.00 0.00 H new ATOM 0 HE ARG A 104 22.013 -0.605 16.725 1.00 0.00 H new ATOM 0 HH11 ARG A 104 23.841 0.170 19.722 1.00 0.00 H new ATOM 0 HH12 ARG A 104 24.855 -1.263 19.520 1.00 0.00 H new ATOM 0 HH21 ARG A 104 23.276 -2.357 16.635 1.00 0.00 H new ATOM 0 HH22 ARG A 104 24.544 -2.642 17.832 1.00 0.00 H new ATOM 1716 N GLY A 105 19.033 3.346 14.376 1.00 0.00 N ATOM 1717 CA GLY A 105 18.031 2.881 13.381 1.00 0.00 C ATOM 1718 C GLY A 105 18.484 2.950 11.907 1.00 0.00 C ATOM 1719 O GLY A 105 19.644 3.226 11.591 1.00 0.00 O ATOM 0 H GLY A 105 19.917 3.650 13.968 1.00 0.00 H new ATOM 0 HA2 GLY A 105 17.763 1.850 13.614 1.00 0.00 H new ATOM 0 HA3 GLY A 105 17.126 3.479 13.494 1.00 0.00 H new ATOM 1723 N TRP A 106 17.541 2.699 10.986 1.00 0.00 N ATOM 1724 CA TRP A 106 17.761 2.923 9.523 1.00 0.00 C ATOM 1725 C TRP A 106 16.442 3.135 8.706 1.00 0.00 C ATOM 1726 O TRP A 106 15.363 2.669 9.078 1.00 0.00 O ATOM 1727 CB TRP A 106 18.742 1.895 8.868 1.00 0.00 C ATOM 1728 CG TRP A 106 18.445 0.392 8.950 1.00 0.00 C ATOM 1729 CD1 TRP A 106 19.111 -0.513 9.804 1.00 0.00 C ATOM 1730 CD2 TRP A 106 17.536 -0.370 8.240 1.00 0.00 C ATOM 1731 NE1 TRP A 106 18.631 -1.827 9.654 1.00 0.00 N ATOM 1732 CE2 TRP A 106 17.644 -1.713 8.690 1.00 0.00 C ATOM 1733 CE3 TRP A 106 16.553 -0.013 7.284 1.00 0.00 C ATOM 1734 CZ2 TRP A 106 16.751 -2.698 8.209 1.00 0.00 C ATOM 1735 CZ3 TRP A 106 15.671 -0.996 6.840 1.00 0.00 C ATOM 1736 CH2 TRP A 106 15.770 -2.320 7.289 1.00 0.00 C ATOM 0 H TRP A 106 16.614 2.340 11.215 1.00 0.00 H new ATOM 0 HA TRP A 106 18.278 3.881 9.470 1.00 0.00 H new ATOM 0 HB2 TRP A 106 18.823 2.152 7.812 1.00 0.00 H new ATOM 0 HB3 TRP A 106 19.724 2.056 9.312 1.00 0.00 H new ATOM 0 HD1 TRP A 106 19.895 -0.231 10.491 1.00 0.00 H new ATOM 0 HE1 TRP A 106 18.939 -2.668 10.142 1.00 0.00 H new ATOM 0 HE3 TRP A 106 16.489 0.997 6.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 16.826 -3.721 8.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 14.896 -0.732 6.136 1.00 0.00 H new ATOM 0 HH2 TRP A 106 15.077 -3.060 6.918 1.00 0.00 H new ATOM 1747 N THR A 107 16.550 3.831 7.559 1.00 0.00 N ATOM 1748 CA THR A 107 15.407 4.074 6.628 1.00 0.00 C ATOM 1749 C THR A 107 15.831 3.641 5.185 1.00 0.00 C ATOM 1750 O THR A 107 16.749 4.228 4.603 1.00 0.00 O ATOM 1751 CB THR A 107 14.995 5.577 6.703 1.00 0.00 C ATOM 1752 OG1 THR A 107 14.654 5.960 8.034 1.00 0.00 O ATOM 1753 CG2 THR A 107 13.795 5.941 5.820 1.00 0.00 C ATOM 0 H THR A 107 17.427 4.245 7.242 1.00 0.00 H new ATOM 0 HA THR A 107 14.536 3.483 6.911 1.00 0.00 H new ATOM 0 HB THR A 107 15.876 6.109 6.343 1.00 0.00 H new ATOM 0 HG1 THR A 107 13.691 5.839 8.173 1.00 0.00 H new ATOM 0 HG21 THR A 107 13.572 7.002 5.929 1.00 0.00 H new ATOM 0 HG22 THR A 107 14.031 5.725 4.778 1.00 0.00 H new ATOM 0 HG23 THR A 107 12.928 5.355 6.125 1.00 0.00 H new ATOM 1761 N GLN A 108 15.158 2.625 4.613 1.00 0.00 N ATOM 1762 CA GLN A 108 15.531 2.025 3.295 1.00 0.00 C ATOM 1763 C GLN A 108 14.367 2.150 2.257 1.00 0.00 C ATOM 1764 O GLN A 108 13.240 1.729 2.531 1.00 0.00 O ATOM 1765 CB GLN A 108 15.917 0.548 3.579 1.00 0.00 C ATOM 1766 CG GLN A 108 16.578 -0.216 2.408 1.00 0.00 C ATOM 1767 CD GLN A 108 16.893 -1.685 2.725 1.00 0.00 C ATOM 1768 OE1 GLN A 108 16.042 -2.563 2.647 1.00 0.00 O ATOM 1769 NE2 GLN A 108 18.108 -2.018 3.088 1.00 0.00 N ATOM 0 H GLN A 108 14.341 2.190 5.041 1.00 0.00 H new ATOM 0 HA GLN A 108 16.370 2.554 2.843 1.00 0.00 H new ATOM 0 HB2 GLN A 108 16.598 0.528 4.430 1.00 0.00 H new ATOM 0 HB3 GLN A 108 15.018 0.009 3.877 1.00 0.00 H new ATOM 0 HG2 GLN A 108 15.918 -0.175 1.541 1.00 0.00 H new ATOM 0 HG3 GLN A 108 17.502 0.292 2.130 1.00 0.00 H new ATOM 0 HE21 GLN A 108 18.833 -1.304 3.160 1.00 0.00 H new ATOM 0 HE22 GLN A 108 18.329 -2.991 3.299 1.00 0.00 H new ATOM 1778 N TRP A 109 14.625 2.706 1.057 1.00 0.00 N ATOM 1779 CA TRP A 109 13.571 2.910 0.011 1.00 0.00 C ATOM 1780 C TRP A 109 14.120 2.812 -1.450 1.00 0.00 C ATOM 1781 O TRP A 109 15.296 3.082 -1.702 1.00 0.00 O ATOM 1782 CB TRP A 109 12.786 4.227 0.294 1.00 0.00 C ATOM 1783 CG TRP A 109 13.467 5.565 -0.046 1.00 0.00 C ATOM 1784 CD1 TRP A 109 13.337 6.251 -1.271 1.00 0.00 C ATOM 1785 CD2 TRP A 109 14.345 6.321 0.710 1.00 0.00 C ATOM 1786 NE1 TRP A 109 14.123 7.420 -1.304 1.00 0.00 N ATOM 1787 CE2 TRP A 109 14.724 7.450 -0.061 1.00 0.00 C ATOM 1788 CE3 TRP A 109 14.910 6.108 1.993 1.00 0.00 C ATOM 1789 CZ2 TRP A 109 15.669 8.370 0.443 1.00 0.00 C ATOM 1790 CZ3 TRP A 109 15.841 7.031 2.472 1.00 0.00 C ATOM 1791 CH2 TRP A 109 16.213 8.146 1.709 1.00 0.00 C ATOM 0 H TRP A 109 15.552 3.026 0.776 1.00 0.00 H new ATOM 0 HA TRP A 109 12.865 2.082 0.081 1.00 0.00 H new ATOM 0 HB2 TRP A 109 11.847 4.181 -0.258 1.00 0.00 H new ATOM 0 HB3 TRP A 109 12.532 4.242 1.354 1.00 0.00 H new ATOM 0 HD1 TRP A 109 12.710 5.920 -2.086 1.00 0.00 H new ATOM 0 HE1 TRP A 109 14.224 8.088 -2.068 1.00 0.00 H new ATOM 0 HE3 TRP A 109 14.626 5.251 2.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 15.965 9.230 -0.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 16.282 6.883 3.447 1.00 0.00 H new ATOM 0 HH2 TRP A 109 16.934 8.845 2.108 1.00 0.00 H new ATOM 1802 N ILE A 110 13.259 2.475 -2.431 1.00 0.00 N ATOM 1803 CA ILE A 110 13.665 2.410 -3.873 1.00 0.00 C ATOM 1804 C ILE A 110 13.259 3.731 -4.612 1.00 0.00 C ATOM 1805 O ILE A 110 12.110 4.181 -4.559 1.00 0.00 O ATOM 1806 CB ILE A 110 13.140 1.112 -4.589 1.00 0.00 C ATOM 1807 CG1 ILE A 110 13.723 -0.178 -3.945 1.00 0.00 C ATOM 1808 CG2 ILE A 110 13.464 1.081 -6.112 1.00 0.00 C ATOM 1809 CD1 ILE A 110 13.032 -1.476 -4.379 1.00 0.00 C ATOM 0 H ILE A 110 12.280 2.242 -2.265 1.00 0.00 H new ATOM 0 HA ILE A 110 14.751 2.333 -3.917 1.00 0.00 H new ATOM 0 HB ILE A 110 12.058 1.140 -4.461 1.00 0.00 H new ATOM 0 HG12 ILE A 110 14.782 -0.245 -4.193 1.00 0.00 H new ATOM 0 HG13 ILE A 110 13.654 -0.090 -2.861 1.00 0.00 H new ATOM 0 HG21 ILE A 110 13.076 0.161 -6.548 1.00 0.00 H new ATOM 0 HG22 ILE A 110 13.000 1.938 -6.600 1.00 0.00 H new ATOM 0 HG23 ILE A 110 14.544 1.123 -6.255 1.00 0.00 H new ATOM 0 HD11 ILE A 110 13.503 -2.323 -3.881 1.00 0.00 H new ATOM 0 HD12 ILE A 110 11.977 -1.436 -4.106 1.00 0.00 H new ATOM 0 HD13 ILE A 110 13.123 -1.593 -5.459 1.00 0.00 H new ATOM 1821 N GLU A 111 14.213 4.277 -5.381 1.00 0.00 N ATOM 1822 CA GLU A 111 13.939 5.284 -6.444 1.00 0.00 C ATOM 1823 C GLU A 111 14.395 4.688 -7.819 1.00 0.00 C ATOM 1824 O GLU A 111 15.571 4.762 -8.194 1.00 0.00 O ATOM 1825 CB GLU A 111 14.636 6.627 -6.086 1.00 0.00 C ATOM 1826 CG GLU A 111 13.967 7.399 -4.926 1.00 0.00 C ATOM 1827 CD GLU A 111 14.643 8.717 -4.568 1.00 0.00 C ATOM 1828 OE1 GLU A 111 14.223 9.812 -4.928 1.00 0.00 O ATOM 1829 OE2 GLU A 111 15.740 8.534 -3.776 1.00 0.00 O ATOM 0 H GLU A 111 15.201 4.039 -5.291 1.00 0.00 H new ATOM 0 HA GLU A 111 12.875 5.506 -6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 111 15.674 6.425 -5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 111 14.650 7.263 -6.971 1.00 0.00 H new ATOM 0 HG2 GLU A 111 12.929 7.599 -5.191 1.00 0.00 H new ATOM 0 HG3 GLU A 111 13.954 6.761 -4.042 1.00 0.00 H new ATOM 1837 N GLY A 112 13.456 4.059 -8.557 1.00 0.00 N ATOM 1838 CA GLY A 112 13.743 3.419 -9.873 1.00 0.00 C ATOM 1839 C GLY A 112 14.625 2.149 -9.815 1.00 0.00 C ATOM 1840 O GLY A 112 14.215 1.118 -9.280 1.00 0.00 O ATOM 0 H GLY A 112 12.482 3.977 -8.266 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.796 3.162 -10.347 1.00 0.00 H new ATOM 0 HA3 GLY A 112 14.232 4.151 -10.515 1.00 0.00 H new ATOM 1844 N ASP A 113 15.847 2.244 -10.352 1.00 0.00 N ATOM 1845 CA ASP A 113 16.925 1.233 -10.127 1.00 0.00 C ATOM 1846 C ASP A 113 17.817 1.409 -8.844 1.00 0.00 C ATOM 1847 O ASP A 113 18.687 0.562 -8.616 1.00 0.00 O ATOM 1848 CB ASP A 113 17.796 1.151 -11.418 1.00 0.00 C ATOM 1849 CG ASP A 113 18.330 2.467 -12.018 1.00 0.00 C ATOM 1850 OD1 ASP A 113 18.533 3.486 -11.363 1.00 0.00 O ATOM 1851 OD2 ASP A 113 18.533 2.368 -13.365 1.00 0.00 O ATOM 0 H ASP A 113 16.131 3.016 -10.955 1.00 0.00 H new ATOM 0 HA ASP A 113 16.409 0.295 -9.920 1.00 0.00 H new ATOM 0 HB2 ASP A 113 18.652 0.511 -11.203 1.00 0.00 H new ATOM 0 HB3 ASP A 113 17.208 0.649 -12.186 1.00 0.00 H new ATOM 1857 N GLU A 114 17.636 2.461 -8.020 1.00 0.00 N ATOM 1858 CA GLU A 114 18.521 2.757 -6.864 1.00 0.00 C ATOM 1859 C GLU A 114 17.799 2.504 -5.505 1.00 0.00 C ATOM 1860 O GLU A 114 16.715 3.029 -5.241 1.00 0.00 O ATOM 1861 CB GLU A 114 19.036 4.217 -6.959 1.00 0.00 C ATOM 1862 CG GLU A 114 20.086 4.466 -8.073 1.00 0.00 C ATOM 1863 CD GLU A 114 20.632 5.892 -8.163 1.00 0.00 C ATOM 1864 OE1 GLU A 114 20.444 6.774 -7.330 1.00 0.00 O ATOM 1865 OE2 GLU A 114 21.379 6.072 -9.286 1.00 0.00 O ATOM 0 H GLU A 114 16.875 3.131 -8.133 1.00 0.00 H new ATOM 0 HA GLU A 114 19.372 2.078 -6.902 1.00 0.00 H new ATOM 0 HB2 GLU A 114 18.185 4.877 -7.127 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.472 4.497 -6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 114 20.923 3.785 -7.917 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.639 4.206 -9.033 1.00 0.00 H new ATOM 1873 N LEU A 115 18.449 1.735 -4.623 1.00 0.00 N ATOM 1874 CA LEU A 115 18.054 1.591 -3.197 1.00 0.00 C ATOM 1875 C LEU A 115 18.792 2.668 -2.343 1.00 0.00 C ATOM 1876 O LEU A 115 20.023 2.669 -2.229 1.00 0.00 O ATOM 1877 CB LEU A 115 18.413 0.147 -2.765 1.00 0.00 C ATOM 1878 CG LEU A 115 18.019 -0.305 -1.335 1.00 0.00 C ATOM 1879 CD1 LEU A 115 16.548 -0.755 -1.282 1.00 0.00 C ATOM 1880 CD2 LEU A 115 18.929 -1.458 -0.880 1.00 0.00 C ATOM 0 H LEU A 115 19.272 1.186 -4.871 1.00 0.00 H new ATOM 0 HA LEU A 115 16.986 1.750 -3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 115 17.946 -0.539 -3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 115 19.491 0.026 -2.868 1.00 0.00 H new ATOM 0 HG LEU A 115 18.143 0.545 -0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 115 16.299 -1.067 -0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 115 15.903 0.073 -1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 115 16.398 -1.591 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 115 18.646 -1.770 0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 115 18.821 -2.299 -1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 115 19.966 -1.124 -0.878 1.00 0.00 H new ATOM 1892 N HIS A 116 18.018 3.576 -1.745 1.00 0.00 N ATOM 1893 CA HIS A 116 18.537 4.677 -0.896 1.00 0.00 C ATOM 1894 C HIS A 116 18.383 4.290 0.606 1.00 0.00 C ATOM 1895 O HIS A 116 17.282 3.996 1.086 1.00 0.00 O ATOM 1896 CB HIS A 116 17.755 5.972 -1.240 1.00 0.00 C ATOM 1897 CG HIS A 116 18.155 6.661 -2.547 1.00 0.00 C ATOM 1898 ND1 HIS A 116 17.790 6.220 -3.814 1.00 0.00 N ATOM 1899 CD2 HIS A 116 18.969 7.800 -2.634 1.00 0.00 C ATOM 1900 CE1 HIS A 116 18.491 7.125 -4.572 1.00 0.00 C ATOM 1901 NE2 HIS A 116 19.213 8.113 -3.959 1.00 0.00 N ATOM 0 H HIS A 116 17.002 3.577 -1.831 1.00 0.00 H new ATOM 0 HA HIS A 116 19.596 4.850 -1.085 1.00 0.00 H new ATOM 0 HB2 HIS A 116 16.693 5.731 -1.288 1.00 0.00 H new ATOM 0 HB3 HIS A 116 17.885 6.681 -0.422 1.00 0.00 H new ATOM 0 HD2 HIS A 116 19.350 8.353 -1.788 1.00 0.00 H new ATOM 0 HE1 HIS A 116 18.473 7.057 -5.650 1.00 0.00 H new ATOM 0 HE2 HIS A 116 19.771 8.865 -4.363 1.00 0.00 H new ATOM 1909 N LEU A 117 19.508 4.284 1.332 1.00 0.00 N ATOM 1910 CA LEU A 117 19.581 3.835 2.745 1.00 0.00 C ATOM 1911 C LEU A 117 20.176 4.972 3.633 1.00 0.00 C ATOM 1912 O LEU A 117 21.330 5.376 3.455 1.00 0.00 O ATOM 1913 CB LEU A 117 20.443 2.541 2.765 1.00 0.00 C ATOM 1914 CG LEU A 117 20.647 1.870 4.148 1.00 0.00 C ATOM 1915 CD1 LEU A 117 19.354 1.265 4.715 1.00 0.00 C ATOM 1916 CD2 LEU A 117 21.724 0.783 4.041 1.00 0.00 C ATOM 0 H LEU A 117 20.406 4.592 0.960 1.00 0.00 H new ATOM 0 HA LEU A 117 18.596 3.614 3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 117 19.982 1.813 2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 117 21.424 2.777 2.352 1.00 0.00 H new ATOM 0 HG LEU A 117 20.963 2.651 4.839 1.00 0.00 H new ATOM 0 HD11 LEU A 117 19.560 0.810 5.684 1.00 0.00 H new ATOM 0 HD12 LEU A 117 18.607 2.050 4.834 1.00 0.00 H new ATOM 0 HD13 LEU A 117 18.977 0.506 4.030 1.00 0.00 H new ATOM 0 HD21 LEU A 117 21.865 0.313 5.015 1.00 0.00 H new ATOM 0 HD22 LEU A 117 21.411 0.031 3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 117 22.663 1.232 3.715 1.00 0.00 H new ATOM 1928 N GLU A 118 19.405 5.444 4.626 1.00 0.00 N ATOM 1929 CA GLU A 118 19.915 6.391 5.659 1.00 0.00 C ATOM 1930 C GLU A 118 20.039 5.645 7.024 1.00 0.00 C ATOM 1931 O GLU A 118 19.022 5.349 7.660 1.00 0.00 O ATOM 1932 CB GLU A 118 18.997 7.642 5.752 1.00 0.00 C ATOM 1933 CG GLU A 118 19.007 8.560 4.506 1.00 0.00 C ATOM 1934 CD GLU A 118 18.245 9.870 4.701 1.00 0.00 C ATOM 1935 OE1 GLU A 118 17.049 10.000 4.457 1.00 0.00 O ATOM 1936 OE2 GLU A 118 19.049 10.867 5.174 1.00 0.00 O ATOM 0 H GLU A 118 18.424 5.191 4.744 1.00 0.00 H new ATOM 0 HA GLU A 118 20.906 6.749 5.378 1.00 0.00 H new ATOM 0 HB2 GLU A 118 17.974 7.310 5.931 1.00 0.00 H new ATOM 0 HB3 GLU A 118 19.298 8.230 6.619 1.00 0.00 H new ATOM 0 HG2 GLU A 118 20.040 8.787 4.241 1.00 0.00 H new ATOM 0 HG3 GLU A 118 18.573 8.020 3.664 1.00 0.00 H new ATOM 1944 N MET A 119 21.271 5.332 7.468 1.00 0.00 N ATOM 1945 CA MET A 119 21.514 4.592 8.744 1.00 0.00 C ATOM 1946 C MET A 119 21.907 5.569 9.891 1.00 0.00 C ATOM 1947 O MET A 119 22.844 6.358 9.757 1.00 0.00 O ATOM 1948 CB MET A 119 22.586 3.482 8.590 1.00 0.00 C ATOM 1949 CG MET A 119 22.363 2.434 7.483 1.00 0.00 C ATOM 1950 SD MET A 119 23.494 1.043 7.684 1.00 0.00 S ATOM 1951 CE MET A 119 25.011 1.775 7.053 1.00 0.00 C ATOM 0 H MET A 119 22.125 5.577 6.966 1.00 0.00 H new ATOM 0 HA MET A 119 20.575 4.103 9.004 1.00 0.00 H new ATOM 0 HB2 MET A 119 23.547 3.964 8.410 1.00 0.00 H new ATOM 0 HB3 MET A 119 22.666 2.956 9.541 1.00 0.00 H new ATOM 0 HG2 MET A 119 21.333 2.079 7.514 1.00 0.00 H new ATOM 0 HG3 MET A 119 22.513 2.893 6.506 1.00 0.00 H new ATOM 0 HE1 MET A 119 25.374 1.189 6.208 1.00 0.00 H new ATOM 0 HE2 MET A 119 24.814 2.797 6.728 1.00 0.00 H new ATOM 0 HE3 MET A 119 25.766 1.783 7.839 1.00 0.00 H new ATOM 1961 N ARG A 120 21.186 5.516 11.017 1.00 0.00 N ATOM 1962 CA ARG A 120 21.264 6.541 12.096 1.00 0.00 C ATOM 1963 C ARG A 120 21.846 5.942 13.415 1.00 0.00 C ATOM 1964 O ARG A 120 21.482 4.831 13.817 1.00 0.00 O ATOM 1965 CB ARG A 120 19.821 7.067 12.341 1.00 0.00 C ATOM 1966 CG ARG A 120 19.154 7.850 11.175 1.00 0.00 C ATOM 1967 CD ARG A 120 17.641 8.069 11.374 1.00 0.00 C ATOM 1968 NE ARG A 120 16.874 6.820 11.101 1.00 0.00 N ATOM 1969 CZ ARG A 120 15.689 6.512 11.625 1.00 0.00 C ATOM 1970 NH1 ARG A 120 15.033 7.267 12.479 1.00 0.00 N ATOM 1971 NH2 ARG A 120 15.137 5.386 11.266 1.00 0.00 N ATOM 0 H ARG A 120 20.527 4.764 11.218 1.00 0.00 H new ATOM 0 HA ARG A 120 21.931 7.347 11.790 1.00 0.00 H new ATOM 0 HB2 ARG A 120 19.186 6.216 12.586 1.00 0.00 H new ATOM 0 HB3 ARG A 120 19.839 7.714 13.218 1.00 0.00 H new ATOM 0 HG2 ARG A 120 19.643 8.818 11.070 1.00 0.00 H new ATOM 0 HG3 ARG A 120 19.316 7.308 10.243 1.00 0.00 H new ATOM 0 HD2 ARG A 120 17.450 8.400 12.395 1.00 0.00 H new ATOM 0 HD3 ARG A 120 17.296 8.863 10.712 1.00 0.00 H new ATOM 0 HE ARG A 120 17.291 6.145 10.460 1.00 0.00 H new ATOM 0 HH11 ARG A 120 15.430 8.156 12.783 1.00 0.00 H new ATOM 0 HH12 ARG A 120 14.128 6.963 12.838 1.00 0.00 H new ATOM 0 HH21 ARG A 120 15.613 4.773 10.604 1.00 0.00 H new ATOM 0 HH22 ARG A 120 14.230 5.118 11.648 1.00 0.00 H new ATOM 1985 N ALA A 121 22.713 6.696 14.116 1.00 0.00 N ATOM 1986 CA ALA A 121 23.143 6.359 15.501 1.00 0.00 C ATOM 1987 C ALA A 121 23.614 7.631 16.257 1.00 0.00 C ATOM 1988 O ALA A 121 24.504 8.348 15.790 1.00 0.00 O ATOM 1989 CB ALA A 121 24.257 5.299 15.499 1.00 0.00 C ATOM 0 H ALA A 121 23.136 7.549 13.750 1.00 0.00 H new ATOM 0 HA ALA A 121 22.280 5.943 16.020 1.00 0.00 H new ATOM 0 HB1 ALA A 121 24.548 5.075 16.525 1.00 0.00 H new ATOM 0 HB2 ALA A 121 23.894 4.390 15.019 1.00 0.00 H new ATOM 0 HB3 ALA A 121 25.120 5.679 14.952 1.00 0.00 H new ATOM 1995 N GLU A 122 23.021 7.922 17.433 1.00 0.00 N ATOM 1996 CA GLU A 122 23.352 9.143 18.249 1.00 0.00 C ATOM 1997 C GLU A 122 23.092 10.520 17.529 1.00 0.00 C ATOM 1998 O GLU A 122 23.864 11.471 17.672 1.00 0.00 O ATOM 1999 CB GLU A 122 24.777 9.009 18.883 1.00 0.00 C ATOM 2000 CG GLU A 122 25.076 7.735 19.723 1.00 0.00 C ATOM 2001 CD GLU A 122 24.522 7.742 21.142 1.00 0.00 C ATOM 2002 OE1 GLU A 122 25.202 7.968 22.137 1.00 0.00 O ATOM 2003 OE2 GLU A 122 23.189 7.454 21.173 1.00 0.00 O ATOM 0 H GLU A 122 22.303 7.333 17.854 1.00 0.00 H new ATOM 0 HA GLU A 122 22.630 9.174 19.065 1.00 0.00 H new ATOM 0 HB2 GLU A 122 25.509 9.059 18.077 1.00 0.00 H new ATOM 0 HB3 GLU A 122 24.944 9.878 19.520 1.00 0.00 H new ATOM 0 HG2 GLU A 122 24.671 6.871 19.197 1.00 0.00 H new ATOM 0 HG3 GLU A 122 26.156 7.599 19.774 1.00 0.00 H new ATOM 2011 N GLY A 123 22.021 10.607 16.713 1.00 0.00 N ATOM 2012 CA GLY A 123 21.880 11.684 15.691 1.00 0.00 C ATOM 2013 C GLY A 123 22.661 11.569 14.352 1.00 0.00 C ATOM 2014 O GLY A 123 22.263 12.208 13.376 1.00 0.00 O ATOM 0 H GLY A 123 21.240 9.951 16.736 1.00 0.00 H new ATOM 0 HA2 GLY A 123 20.821 11.767 15.446 1.00 0.00 H new ATOM 0 HA3 GLY A 123 22.173 12.623 16.162 1.00 0.00 H new ATOM 2018 N VAL A 124 23.761 10.799 14.282 1.00 0.00 N ATOM 2019 CA VAL A 124 24.668 10.762 13.099 1.00 0.00 C ATOM 2020 C VAL A 124 24.064 9.847 11.989 1.00 0.00 C ATOM 2021 O VAL A 124 23.861 8.648 12.201 1.00 0.00 O ATOM 2022 CB VAL A 124 26.106 10.298 13.517 1.00 0.00 C ATOM 2023 CG1 VAL A 124 27.073 10.220 12.318 1.00 0.00 C ATOM 2024 CG2 VAL A 124 26.781 11.190 14.588 1.00 0.00 C ATOM 0 H VAL A 124 24.055 10.181 15.039 1.00 0.00 H new ATOM 0 HA VAL A 124 24.760 11.768 12.690 1.00 0.00 H new ATOM 0 HB VAL A 124 25.931 9.309 13.941 1.00 0.00 H new ATOM 0 HG11 VAL A 124 28.054 9.894 12.663 1.00 0.00 H new ATOM 0 HG12 VAL A 124 26.690 9.508 11.587 1.00 0.00 H new ATOM 0 HG13 VAL A 124 27.159 11.203 11.855 1.00 0.00 H new ATOM 0 HG21 VAL A 124 27.771 10.797 14.818 1.00 0.00 H new ATOM 0 HG22 VAL A 124 26.874 12.207 14.208 1.00 0.00 H new ATOM 0 HG23 VAL A 124 26.174 11.195 15.493 1.00 0.00 H new ATOM 2034 N THR A 125 23.827 10.425 10.802 1.00 0.00 N ATOM 2035 CA THR A 125 23.241 9.690 9.646 1.00 0.00 C ATOM 2036 C THR A 125 24.337 9.346 8.587 1.00 0.00 C ATOM 2037 O THR A 125 24.923 10.241 7.968 1.00 0.00 O ATOM 2038 CB THR A 125 22.062 10.517 9.053 1.00 0.00 C ATOM 2039 OG1 THR A 125 21.102 10.800 10.070 1.00 0.00 O ATOM 2040 CG2 THR A 125 21.290 9.786 7.945 1.00 0.00 C ATOM 0 H THR A 125 24.030 11.405 10.606 1.00 0.00 H new ATOM 0 HA THR A 125 22.839 8.734 9.982 1.00 0.00 H new ATOM 0 HB THR A 125 22.526 11.413 8.641 1.00 0.00 H new ATOM 0 HG1 THR A 125 20.365 11.322 9.688 1.00 0.00 H new ATOM 0 HG21 THR A 125 20.485 10.424 7.581 1.00 0.00 H new ATOM 0 HG22 THR A 125 21.967 9.552 7.123 1.00 0.00 H new ATOM 0 HG23 THR A 125 20.870 8.862 8.343 1.00 0.00 H new ATOM 2048 N CYS A 126 24.559 8.045 8.339 1.00 0.00 N ATOM 2049 CA CYS A 126 25.269 7.560 7.130 1.00 0.00 C ATOM 2050 C CYS A 126 24.310 7.415 5.910 1.00 0.00 C ATOM 2051 O CYS A 126 23.274 6.750 5.997 1.00 0.00 O ATOM 2052 CB CYS A 126 25.905 6.203 7.475 1.00 0.00 C ATOM 2053 SG CYS A 126 26.665 5.472 5.986 1.00 0.00 S ATOM 0 H CYS A 126 24.256 7.298 8.964 1.00 0.00 H new ATOM 0 HA CYS A 126 26.030 8.286 6.843 1.00 0.00 H new ATOM 0 HB2 CYS A 126 26.659 6.333 8.252 1.00 0.00 H new ATOM 0 HB3 CYS A 126 25.148 5.529 7.875 1.00 0.00 H new ATOM 0 HG CYS A 126 27.355 4.422 6.322 1.00 0.00 H new ATOM 2059 N LYS A 127 24.674 8.018 4.769 1.00 0.00 N ATOM 2060 CA LYS A 127 23.847 7.973 3.532 1.00 0.00 C ATOM 2061 C LYS A 127 24.509 7.010 2.495 1.00 0.00 C ATOM 2062 O LYS A 127 25.572 7.306 1.935 1.00 0.00 O ATOM 2063 CB LYS A 127 23.644 9.410 2.979 1.00 0.00 C ATOM 2064 CG LYS A 127 22.876 10.382 3.912 1.00 0.00 C ATOM 2065 CD LYS A 127 22.571 11.765 3.293 1.00 0.00 C ATOM 2066 CE LYS A 127 23.784 12.677 3.012 1.00 0.00 C ATOM 2067 NZ LYS A 127 24.445 13.131 4.254 1.00 0.00 N ATOM 0 H LYS A 127 25.539 8.548 4.667 1.00 0.00 H new ATOM 0 HA LYS A 127 22.856 7.577 3.753 1.00 0.00 H new ATOM 0 HB2 LYS A 127 24.622 9.839 2.763 1.00 0.00 H new ATOM 0 HB3 LYS A 127 23.108 9.344 2.032 1.00 0.00 H new ATOM 0 HG2 LYS A 127 21.936 9.915 4.206 1.00 0.00 H new ATOM 0 HG3 LYS A 127 23.458 10.527 4.822 1.00 0.00 H new ATOM 0 HD2 LYS A 127 22.037 11.609 2.356 1.00 0.00 H new ATOM 0 HD3 LYS A 127 21.893 12.296 3.961 1.00 0.00 H new ATOM 0 HE2 LYS A 127 24.504 12.140 2.395 1.00 0.00 H new ATOM 0 HE3 LYS A 127 23.458 13.545 2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 25.253 13.740 4.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 23.767 13.667 4.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 24.781 12.306 4.790 1.00 0.00 H new ATOM 2080 N GLN A 128 23.878 5.846 2.264 1.00 0.00 N ATOM 2081 CA GLN A 128 24.360 4.824 1.295 1.00 0.00 C ATOM 2082 C GLN A 128 23.359 4.657 0.108 1.00 0.00 C ATOM 2083 O GLN A 128 22.149 4.510 0.306 1.00 0.00 O ATOM 2084 CB GLN A 128 24.565 3.476 2.037 1.00 0.00 C ATOM 2085 CG GLN A 128 25.833 3.385 2.921 1.00 0.00 C ATOM 2086 CD GLN A 128 26.091 2.013 3.560 1.00 0.00 C ATOM 2087 OE1 GLN A 128 25.320 1.061 3.483 1.00 0.00 O ATOM 2088 NE2 GLN A 128 27.214 1.865 4.218 1.00 0.00 N ATOM 0 H GLN A 128 23.017 5.579 2.741 1.00 0.00 H new ATOM 0 HA GLN A 128 25.310 5.153 0.874 1.00 0.00 H new ATOM 0 HB2 GLN A 128 23.693 3.291 2.664 1.00 0.00 H new ATOM 0 HB3 GLN A 128 24.602 2.676 1.297 1.00 0.00 H new ATOM 0 HG2 GLN A 128 26.698 3.654 2.315 1.00 0.00 H new ATOM 0 HG3 GLN A 128 25.757 4.128 3.715 1.00 0.00 H new ATOM 0 HE21 GLN A 128 27.868 2.644 4.293 1.00 0.00 H new ATOM 0 HE22 GLN A 128 27.435 0.970 4.655 1.00 0.00 H new ATOM 2097 N VAL A 129 23.876 4.643 -1.132 1.00 0.00 N ATOM 2098 CA VAL A 129 23.046 4.434 -2.362 1.00 0.00 C ATOM 2099 C VAL A 129 23.537 3.125 -3.067 1.00 0.00 C ATOM 2100 O VAL A 129 24.739 2.953 -3.298 1.00 0.00 O ATOM 2101 CB VAL A 129 23.085 5.682 -3.313 1.00 0.00 C ATOM 2102 CG1 VAL A 129 22.161 5.528 -4.545 1.00 0.00 C ATOM 2103 CG2 VAL A 129 22.675 7.012 -2.634 1.00 0.00 C ATOM 0 H VAL A 129 24.869 4.773 -1.325 1.00 0.00 H new ATOM 0 HA VAL A 129 21.998 4.318 -2.086 1.00 0.00 H new ATOM 0 HB VAL A 129 24.134 5.724 -3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 129 22.230 6.421 -5.166 1.00 0.00 H new ATOM 0 HG12 VAL A 129 22.470 4.659 -5.125 1.00 0.00 H new ATOM 0 HG13 VAL A 129 21.131 5.395 -4.213 1.00 0.00 H new ATOM 0 HG21 VAL A 129 22.729 7.823 -3.360 1.00 0.00 H new ATOM 0 HG22 VAL A 129 21.655 6.929 -2.258 1.00 0.00 H new ATOM 0 HG23 VAL A 129 23.352 7.221 -1.805 1.00 0.00 H new ATOM 2113 N PHE A 130 22.608 2.224 -3.435 1.00 0.00 N ATOM 2114 CA PHE A 130 22.939 0.931 -4.103 1.00 0.00 C ATOM 2115 C PHE A 130 22.150 0.754 -5.439 1.00 0.00 C ATOM 2116 O PHE A 130 20.946 0.997 -5.498 1.00 0.00 O ATOM 2117 CB PHE A 130 22.624 -0.285 -3.192 1.00 0.00 C ATOM 2118 CG PHE A 130 23.393 -0.459 -1.880 1.00 0.00 C ATOM 2119 CD1 PHE A 130 23.039 0.282 -0.750 1.00 0.00 C ATOM 2120 CD2 PHE A 130 24.378 -1.444 -1.776 1.00 0.00 C ATOM 2121 CE1 PHE A 130 23.673 0.047 0.466 1.00 0.00 C ATOM 2122 CE2 PHE A 130 25.008 -1.682 -0.561 1.00 0.00 C ATOM 2123 CZ PHE A 130 24.661 -0.932 0.560 1.00 0.00 C ATOM 0 H PHE A 130 21.609 2.361 -3.283 1.00 0.00 H new ATOM 0 HA PHE A 130 24.009 0.966 -4.309 1.00 0.00 H new ATOM 0 HB2 PHE A 130 21.563 -0.244 -2.946 1.00 0.00 H new ATOM 0 HB3 PHE A 130 22.779 -1.187 -3.784 1.00 0.00 H new ATOM 0 HD1 PHE A 130 22.272 1.039 -0.820 1.00 0.00 H new ATOM 0 HD2 PHE A 130 24.651 -2.024 -2.645 1.00 0.00 H new ATOM 0 HE1 PHE A 130 23.400 0.623 1.337 1.00 0.00 H new ATOM 0 HE2 PHE A 130 25.766 -2.448 -0.486 1.00 0.00 H new ATOM 0 HZ PHE A 130 25.158 -1.109 1.503 1.00 0.00 H new ATOM 2133 N LYS A 131 22.808 0.252 -6.492 1.00 0.00 N ATOM 2134 CA LYS A 131 22.182 0.001 -7.819 1.00 0.00 C ATOM 2135 C LYS A 131 21.723 -1.477 -7.995 1.00 0.00 C ATOM 2136 O LYS A 131 22.481 -2.407 -7.700 1.00 0.00 O ATOM 2137 CB LYS A 131 23.267 0.364 -8.863 1.00 0.00 C ATOM 2138 CG LYS A 131 22.858 0.315 -10.355 1.00 0.00 C ATOM 2139 CD LYS A 131 21.809 1.360 -10.785 1.00 0.00 C ATOM 2140 CE LYS A 131 21.600 1.427 -12.309 1.00 0.00 C ATOM 2141 NZ LYS A 131 20.938 0.215 -12.846 1.00 0.00 N ATOM 0 H LYS A 131 23.797 0.003 -6.458 1.00 0.00 H new ATOM 0 HA LYS A 131 21.278 0.598 -7.933 1.00 0.00 H new ATOM 0 HB2 LYS A 131 23.624 1.370 -8.643 1.00 0.00 H new ATOM 0 HB3 LYS A 131 24.111 -0.311 -8.722 1.00 0.00 H new ATOM 0 HG2 LYS A 131 23.752 0.449 -10.964 1.00 0.00 H new ATOM 0 HG3 LYS A 131 22.468 -0.679 -10.576 1.00 0.00 H new ATOM 0 HD2 LYS A 131 20.858 1.128 -10.305 1.00 0.00 H new ATOM 0 HD3 LYS A 131 22.116 2.342 -10.425 1.00 0.00 H new ATOM 0 HE2 LYS A 131 20.998 2.303 -12.552 1.00 0.00 H new ATOM 0 HE3 LYS A 131 22.565 1.557 -12.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 21.440 -0.106 -13.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 20.958 -0.538 -12.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 19.951 0.437 -13.088 1.00 0.00 H new ATOM 2154 N LYS A 132 20.524 -1.692 -8.563 1.00 0.00 N ATOM 2155 CA LYS A 132 20.027 -3.057 -8.895 1.00 0.00 C ATOM 2156 C LYS A 132 20.791 -3.712 -10.092 1.00 0.00 C ATOM 2157 O LYS A 132 20.824 -3.161 -11.198 1.00 0.00 O ATOM 2158 CB LYS A 132 18.507 -2.984 -9.202 1.00 0.00 C ATOM 2159 CG LYS A 132 17.771 -4.328 -8.993 1.00 0.00 C ATOM 2160 CD LYS A 132 16.256 -4.195 -9.228 1.00 0.00 C ATOM 2161 CE LYS A 132 15.506 -5.497 -8.907 1.00 0.00 C ATOM 2162 NZ LYS A 132 14.057 -5.304 -9.097 1.00 0.00 N ATOM 0 H LYS A 132 19.874 -0.944 -8.805 1.00 0.00 H new ATOM 0 HA LYS A 132 20.211 -3.693 -8.029 1.00 0.00 H new ATOM 0 HB2 LYS A 132 18.051 -2.226 -8.564 1.00 0.00 H new ATOM 0 HB3 LYS A 132 18.368 -2.659 -10.233 1.00 0.00 H new ATOM 0 HG2 LYS A 132 18.180 -5.075 -9.673 1.00 0.00 H new ATOM 0 HG3 LYS A 132 17.951 -4.687 -7.980 1.00 0.00 H new ATOM 0 HD2 LYS A 132 15.863 -3.388 -8.609 1.00 0.00 H new ATOM 0 HD3 LYS A 132 16.073 -3.918 -10.266 1.00 0.00 H new ATOM 0 HE2 LYS A 132 15.862 -6.300 -9.552 1.00 0.00 H new ATOM 0 HE3 LYS A 132 15.709 -5.800 -7.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 13.557 -6.189 -8.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 13.721 -4.551 -8.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 13.869 -5.036 -10.084 1.00 0.00 H new ATOM 2175 N VAL A 133 21.367 -4.901 -9.863 1.00 0.00 N ATOM 2176 CA VAL A 133 22.022 -5.717 -10.940 1.00 0.00 C ATOM 2177 C VAL A 133 21.189 -6.978 -11.352 1.00 0.00 C ATOM 2178 O VAL A 133 21.083 -7.261 -12.548 1.00 0.00 O ATOM 2179 CB VAL A 133 23.535 -6.018 -10.653 1.00 0.00 C ATOM 2180 CG1 VAL A 133 24.368 -4.732 -10.469 1.00 0.00 C ATOM 2181 CG2 VAL A 133 23.828 -6.948 -9.456 1.00 0.00 C ATOM 0 H VAL A 133 21.401 -5.336 -8.941 1.00 0.00 H new ATOM 0 HA VAL A 133 22.027 -5.085 -11.828 1.00 0.00 H new ATOM 0 HB VAL A 133 23.832 -6.554 -11.555 1.00 0.00 H new ATOM 0 HG11 VAL A 133 25.407 -4.996 -10.273 1.00 0.00 H new ATOM 0 HG12 VAL A 133 24.312 -4.129 -11.375 1.00 0.00 H new ATOM 0 HG13 VAL A 133 23.974 -4.161 -9.628 1.00 0.00 H new ATOM 0 HG21 VAL A 133 24.905 -7.083 -9.355 1.00 0.00 H new ATOM 0 HG22 VAL A 133 23.431 -6.503 -8.544 1.00 0.00 H new ATOM 0 HG23 VAL A 133 23.355 -7.916 -9.623 1.00 0.00 H new ATOM 2191 N HIS A 134 20.604 -7.732 -10.397 1.00 0.00 N ATOM 2192 CA HIS A 134 19.787 -8.928 -10.683 1.00 0.00 C ATOM 2193 C HIS A 134 18.321 -8.632 -10.290 1.00 0.00 C ATOM 2194 O HIS A 134 18.038 -8.345 -9.103 1.00 0.00 O ATOM 2195 CB HIS A 134 20.383 -10.123 -9.896 1.00 0.00 C ATOM 2196 CG HIS A 134 21.753 -10.642 -10.352 1.00 0.00 C ATOM 2197 ND1 HIS A 134 22.817 -10.850 -9.496 1.00 0.00 N ATOM 2198 CD2 HIS A 134 22.137 -10.970 -11.667 1.00 0.00 C ATOM 2199 CE1 HIS A 134 23.768 -11.271 -10.386 1.00 0.00 C ATOM 2200 NE2 HIS A 134 23.461 -11.383 -11.717 1.00 0.00 N ATOM 2201 OXT HIS A 134 17.442 -8.685 -11.179 1.00 0.00 O ATOM 0 H HIS A 134 20.686 -7.526 -9.401 1.00 0.00 H new ATOM 0 HA HIS A 134 19.798 -9.184 -11.743 1.00 0.00 H new ATOM 0 HB2 HIS A 134 20.462 -9.833 -8.848 1.00 0.00 H new ATOM 0 HB3 HIS A 134 19.674 -10.949 -9.946 1.00 0.00 H new ATOM 0 HD2 HIS A 134 21.485 -10.908 -12.526 1.00 0.00 H new ATOM 0 HE1 HIS A 134 24.761 -11.515 -10.039 1.00 0.00 H new ATOM 0 HE2 HIS A 134 24.034 -11.681 -12.507 1.00 0.00 H new TER 2209 HIS A 134