USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 972 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 70 LYS NZ :NH3+ -114:sc= -0.429 (180deg=-2.74!) USER MOD Set 1.2: A 74 GLN : amide:sc= 0.0112 K(o=-0.42,f=-1.8) USER MOD Set 2.1: A 59 THR OG1 : rot -140:sc= 1.07 USER MOD Set 2.2: A 93 LYS NZ :NH3+ 148:sc= 1.24 (180deg=0) USER MOD Set 3.1: A 34 GLN :FLIP amide:sc= 0.722 F(o=-0.3,f=0.94) USER MOD Set 3.2: A 35 HIS : no HE2:sc= 0.214 K(o=0.94,f=-0.74) USER MOD Single : A 1 MET CE :methyl -157:sc= 0 (180deg=-0.854) USER MOD Single : A 1 MET N :NH3+ -159:sc= 1.04 (180deg=0.167!) USER MOD Single : A 3 LYS NZ :NH3+ 162:sc= -0.0447 (180deg=-0.354) USER MOD Single : A 5 TYR OH : rot 29:sc= -0.544 USER MOD Single : A 6 GLN : amide:sc= -0.0233 K(o=-0.023,f=-3.6!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.043 K(o=-0.043,f=-1.1) USER MOD Single : A 10 CYS SG : rot -91:sc= -0.237 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc=0.000697 USER MOD Single : A 13 CYS SG : rot -108:sc= 0.375 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -140:sc= 0.283 (180deg=-0.27) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot -67:sc= -0.0364 USER MOD Single : A 36 THR OG1 : rot 70:sc= 0.0669 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.203 USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 43 LYS NZ :NH3+ 172:sc= 0.739 (180deg=0.701) USER MOD Single : A 44 THR OG1 : rot 78:sc= 1.27 USER MOD Single : A 48 ASN :FLIP amide:sc= -0.0024 F(o=-1.5,f=-0.0024) USER MOD Single : A 49 THR OG1 : rot -77:sc= 1.19 USER MOD Single : A 54 ASN : amide:sc= -1.94! C(o=-1.9!,f=-7.1!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.0106 K(o=-0.011,f=-2.5!) USER MOD Single : A 60 HIS : no HD1:sc= -0.942 K(o=-0.94,f=-2.3!) USER MOD Single : A 63 LYS NZ :NH3+ -176:sc= 0.418 (180deg=0.367) USER MOD Single : A 64 TYR OH : rot 180:sc= -0.752 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 162:sc=-0.00797 (180deg=-0.582) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -126:sc= 0.947 (180deg=0.221) USER MOD Single : A 86 SER OG : rot 78:sc= 1.1 USER MOD Single : A 87 SER OG : rot 70:sc= 1.08 USER MOD Single : A 90 MET CE :methyl 158:sc= -1.92 (180deg=-2.68!) USER MOD Single : A 99 MET CE :methyl -122:sc= -0.243 (180deg=-0.658) USER MOD Single : A 102 LYS NZ :NH3+ -179:sc= 0.572 (180deg=0.547) USER MOD Single : A 104 THR OG1 : rot -85:sc= -0.435 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= 0.242 X(o=0.24,f=-0.0016) USER MOD Single : A 112 TYR OH : rot 61:sc= -0.147 USER MOD Single : A 113 LYS NZ :NH3+ 157:sc= 0.159 (180deg=0.0617) USER MOD Single : A 115 THR OG1 : rot 86:sc= 0.322 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.944 -0.713 -1.271 1.00 0.00 N ATOM 2 CA MET A 1 2.270 -0.250 -1.751 1.00 0.00 C ATOM 3 C MET A 1 3.301 -1.386 -1.708 1.00 0.00 C ATOM 4 O MET A 1 3.110 -2.391 -1.008 1.00 0.00 O ATOM 5 CB MET A 1 2.769 0.966 -0.924 1.00 0.00 C ATOM 6 CG MET A 1 3.028 0.683 0.564 1.00 0.00 C ATOM 7 SD MET A 1 1.531 0.161 1.434 1.00 0.00 S ATOM 8 CE MET A 1 2.126 0.039 3.117 1.00 0.00 C ATOM 0 H1 MET A 1 0.204 -0.076 -1.629 1.00 0.00 H new ATOM 0 H2 MET A 1 0.767 -1.678 -1.617 1.00 0.00 H new ATOM 0 H3 MET A 1 0.931 -0.710 -0.231 1.00 0.00 H new ATOM 0 HA MET A 1 2.153 0.066 -2.788 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.691 1.337 -1.373 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.032 1.765 -1.003 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.789 -0.092 0.657 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.427 1.580 1.038 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.483 -0.636 3.682 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.145 -0.347 3.115 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.113 1.026 3.580 1.00 0.00 H new ATOM 18 N ILE A 2 4.383 -1.213 -2.479 1.00 0.00 N ATOM 19 CA ILE A 2 5.537 -2.120 -2.474 1.00 0.00 C ATOM 20 C ILE A 2 6.327 -1.955 -1.164 1.00 0.00 C ATOM 21 O ILE A 2 6.709 -0.844 -0.809 1.00 0.00 O ATOM 22 CB ILE A 2 6.503 -1.815 -3.680 1.00 0.00 C ATOM 23 CG1 ILE A 2 5.748 -1.907 -5.039 1.00 0.00 C ATOM 24 CG2 ILE A 2 7.749 -2.745 -3.673 1.00 0.00 C ATOM 25 CD1 ILE A 2 6.541 -1.382 -6.222 1.00 0.00 C ATOM 0 H ILE A 2 4.482 -0.433 -3.129 1.00 0.00 H new ATOM 0 HA ILE A 2 5.160 -3.138 -2.565 1.00 0.00 H new ATOM 0 HB ILE A 2 6.860 -0.792 -3.557 1.00 0.00 H new ATOM 0 HG12 ILE A 2 5.482 -2.948 -5.226 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.815 -1.348 -4.963 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.389 -2.502 -4.521 1.00 0.00 H new ATOM 0 HG22 ILE A 2 8.304 -2.602 -2.746 1.00 0.00 H new ATOM 0 HG23 ILE A 2 7.428 -3.784 -3.747 1.00 0.00 H new ATOM 0 HD11 ILE A 2 5.947 -1.481 -7.131 1.00 0.00 H new ATOM 0 HD12 ILE A 2 6.784 -0.332 -6.060 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.462 -1.956 -6.326 1.00 0.00 H new ATOM 37 N LYS A 3 6.538 -3.054 -0.448 1.00 0.00 N ATOM 38 CA LYS A 3 7.466 -3.104 0.686 1.00 0.00 C ATOM 39 C LYS A 3 8.902 -3.165 0.139 1.00 0.00 C ATOM 40 O LYS A 3 9.421 -4.243 -0.180 1.00 0.00 O ATOM 41 CB LYS A 3 7.158 -4.323 1.589 1.00 0.00 C ATOM 42 CG LYS A 3 5.670 -4.509 1.910 1.00 0.00 C ATOM 43 CD LYS A 3 5.028 -3.285 2.598 1.00 0.00 C ATOM 44 CE LYS A 3 3.603 -3.575 3.090 1.00 0.00 C ATOM 45 NZ LYS A 3 3.591 -4.640 4.128 1.00 0.00 N ATOM 0 H LYS A 3 6.070 -3.941 -0.635 1.00 0.00 H new ATOM 0 HA LYS A 3 7.351 -2.211 1.301 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.528 -5.225 1.101 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.709 -4.217 2.523 1.00 0.00 H new ATOM 0 HG2 LYS A 3 5.131 -4.720 0.986 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.552 -5.381 2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.646 -2.979 3.442 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.006 -2.448 1.900 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.165 -2.664 3.497 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.981 -3.879 2.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.693 -4.605 4.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.690 -5.570 3.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.382 -4.491 4.787 1.00 0.00 H new ATOM 59 N PHE A 4 9.494 -1.983 -0.036 1.00 0.00 N ATOM 60 CA PHE A 4 10.853 -1.826 -0.580 1.00 0.00 C ATOM 61 C PHE A 4 11.875 -1.945 0.566 1.00 0.00 C ATOM 62 O PHE A 4 12.172 -0.963 1.263 1.00 0.00 O ATOM 63 CB PHE A 4 10.973 -0.460 -1.326 1.00 0.00 C ATOM 64 CG PHE A 4 12.379 -0.127 -1.841 1.00 0.00 C ATOM 65 CD1 PHE A 4 13.005 -0.941 -2.784 1.00 0.00 C ATOM 66 CD2 PHE A 4 13.083 0.988 -1.364 1.00 0.00 C ATOM 67 CE1 PHE A 4 14.278 -0.651 -3.239 1.00 0.00 C ATOM 68 CE2 PHE A 4 14.357 1.274 -1.821 1.00 0.00 C ATOM 69 CZ PHE A 4 14.954 0.453 -2.755 1.00 0.00 C ATOM 0 H PHE A 4 9.044 -1.097 0.196 1.00 0.00 H new ATOM 0 HA PHE A 4 11.061 -2.613 -1.304 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.284 -0.462 -2.170 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.651 0.335 -0.653 1.00 0.00 H new ATOM 0 HD1 PHE A 4 12.489 -1.810 -3.164 1.00 0.00 H new ATOM 0 HD2 PHE A 4 12.624 1.633 -0.629 1.00 0.00 H new ATOM 0 HE1 PHE A 4 14.745 -1.289 -3.975 1.00 0.00 H new ATOM 0 HE2 PHE A 4 14.884 2.139 -1.447 1.00 0.00 H new ATOM 0 HZ PHE A 4 15.951 0.673 -3.108 1.00 0.00 H new ATOM 79 N TYR A 5 12.379 -3.165 0.778 1.00 0.00 N ATOM 80 CA TYR A 5 13.384 -3.440 1.810 1.00 0.00 C ATOM 81 C TYR A 5 14.783 -3.047 1.310 1.00 0.00 C ATOM 82 O TYR A 5 15.148 -3.302 0.150 1.00 0.00 O ATOM 83 CB TYR A 5 13.340 -4.925 2.231 1.00 0.00 C ATOM 84 CG TYR A 5 12.096 -5.290 3.062 1.00 0.00 C ATOM 85 CD1 TYR A 5 10.911 -5.708 2.456 1.00 0.00 C ATOM 86 CD2 TYR A 5 12.112 -5.213 4.460 1.00 0.00 C ATOM 87 CE1 TYR A 5 9.800 -6.040 3.202 1.00 0.00 C ATOM 88 CE2 TYR A 5 10.997 -5.543 5.206 1.00 0.00 C ATOM 89 CZ TYR A 5 9.846 -5.957 4.572 1.00 0.00 C ATOM 90 OH TYR A 5 8.731 -6.285 5.317 1.00 0.00 O ATOM 0 H TYR A 5 12.103 -3.987 0.241 1.00 0.00 H new ATOM 0 HA TYR A 5 13.156 -2.837 2.689 1.00 0.00 H new ATOM 0 HB2 TYR A 5 13.367 -5.549 1.338 1.00 0.00 H new ATOM 0 HB3 TYR A 5 14.235 -5.158 2.809 1.00 0.00 H new ATOM 0 HD1 TYR A 5 10.863 -5.773 1.379 1.00 0.00 H new ATOM 0 HD2 TYR A 5 13.011 -4.890 4.964 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.895 -6.365 2.710 1.00 0.00 H new ATOM 0 HE2 TYR A 5 11.028 -5.477 6.284 1.00 0.00 H new ATOM 0 HH TYR A 5 8.201 -6.953 4.835 1.00 0.00 H new ATOM 100 N GLN A 6 15.532 -2.406 2.211 1.00 0.00 N ATOM 101 CA GLN A 6 16.905 -1.931 1.993 1.00 0.00 C ATOM 102 C GLN A 6 17.551 -1.700 3.366 1.00 0.00 C ATOM 103 O GLN A 6 16.849 -1.697 4.372 1.00 0.00 O ATOM 104 CB GLN A 6 16.893 -0.638 1.108 1.00 0.00 C ATOM 105 CG GLN A 6 15.973 0.524 1.595 1.00 0.00 C ATOM 106 CD GLN A 6 16.660 1.601 2.462 1.00 0.00 C ATOM 107 OE1 GLN A 6 17.634 1.345 3.173 1.00 0.00 O ATOM 108 NE2 GLN A 6 16.159 2.827 2.392 1.00 0.00 N ATOM 0 H GLN A 6 15.188 -2.195 3.148 1.00 0.00 H new ATOM 0 HA GLN A 6 17.496 -2.670 1.451 1.00 0.00 H new ATOM 0 HB2 GLN A 6 17.913 -0.261 1.039 1.00 0.00 H new ATOM 0 HB3 GLN A 6 16.588 -0.916 0.099 1.00 0.00 H new ATOM 0 HG2 GLN A 6 15.538 1.010 0.721 1.00 0.00 H new ATOM 0 HG3 GLN A 6 15.148 0.096 2.165 1.00 0.00 H new ATOM 0 HE21 GLN A 6 15.352 3.015 1.797 1.00 0.00 H new ATOM 0 HE22 GLN A 6 16.580 3.582 2.933 1.00 0.00 H new ATOM 117 N TYR A 7 18.879 -1.534 3.413 1.00 0.00 N ATOM 118 CA TYR A 7 19.596 -1.224 4.667 1.00 0.00 C ATOM 119 C TYR A 7 21.040 -0.816 4.361 1.00 0.00 C ATOM 120 O TYR A 7 21.823 -1.646 3.895 1.00 0.00 O ATOM 121 CB TYR A 7 19.585 -2.435 5.640 1.00 0.00 C ATOM 122 CG TYR A 7 20.209 -2.163 7.025 1.00 0.00 C ATOM 123 CD1 TYR A 7 19.474 -1.539 8.038 1.00 0.00 C ATOM 124 CD2 TYR A 7 21.524 -2.530 7.317 1.00 0.00 C ATOM 125 CE1 TYR A 7 20.029 -1.293 9.281 1.00 0.00 C ATOM 126 CE2 TYR A 7 22.080 -2.289 8.558 1.00 0.00 C ATOM 127 CZ TYR A 7 21.329 -1.673 9.538 1.00 0.00 C ATOM 128 OH TYR A 7 21.886 -1.425 10.777 1.00 0.00 O ATOM 0 H TYR A 7 19.485 -1.609 2.596 1.00 0.00 H new ATOM 0 HA TYR A 7 19.079 -0.395 5.151 1.00 0.00 H new ATOM 0 HB2 TYR A 7 18.554 -2.760 5.780 1.00 0.00 H new ATOM 0 HB3 TYR A 7 20.120 -3.262 5.173 1.00 0.00 H new ATOM 0 HD1 TYR A 7 18.453 -1.243 7.846 1.00 0.00 H new ATOM 0 HD2 TYR A 7 22.119 -3.013 6.556 1.00 0.00 H new ATOM 0 HE1 TYR A 7 19.446 -0.805 10.048 1.00 0.00 H new ATOM 0 HE2 TYR A 7 23.100 -2.582 8.761 1.00 0.00 H new ATOM 0 HH TYR A 7 22.808 -1.756 10.793 1.00 0.00 H new ATOM 138 N LYS A 8 21.355 0.469 4.607 1.00 0.00 N ATOM 139 CA LYS A 8 22.730 1.027 4.604 1.00 0.00 C ATOM 140 C LYS A 8 23.349 1.084 3.180 1.00 0.00 C ATOM 141 O LYS A 8 22.905 0.377 2.264 1.00 0.00 O ATOM 142 CB LYS A 8 23.656 0.242 5.612 1.00 0.00 C ATOM 143 CG LYS A 8 24.697 1.108 6.366 1.00 0.00 C ATOM 144 CD LYS A 8 24.040 2.194 7.258 1.00 0.00 C ATOM 145 CE LYS A 8 23.196 1.607 8.413 1.00 0.00 C ATOM 146 NZ LYS A 8 22.384 2.650 9.094 1.00 0.00 N ATOM 0 H LYS A 8 20.646 1.170 4.819 1.00 0.00 H new ATOM 0 HA LYS A 8 22.658 2.060 4.944 1.00 0.00 H new ATOM 0 HB2 LYS A 8 23.024 -0.259 6.346 1.00 0.00 H new ATOM 0 HB3 LYS A 8 24.185 -0.537 5.063 1.00 0.00 H new ATOM 0 HG2 LYS A 8 25.320 0.463 6.986 1.00 0.00 H new ATOM 0 HG3 LYS A 8 25.356 1.588 5.643 1.00 0.00 H new ATOM 0 HD2 LYS A 8 24.819 2.833 7.674 1.00 0.00 H new ATOM 0 HD3 LYS A 8 23.405 2.828 6.639 1.00 0.00 H new ATOM 0 HE2 LYS A 8 22.537 0.831 8.023 1.00 0.00 H new ATOM 0 HE3 LYS A 8 23.855 1.130 9.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.833 2.215 9.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 23.014 3.377 9.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.736 3.088 8.408 1.00 0.00 H new ATOM 160 N ASN A 9 24.372 1.956 3.034 1.00 0.00 N ATOM 161 CA ASN A 9 25.124 2.198 1.767 1.00 0.00 C ATOM 162 C ASN A 9 24.239 2.885 0.691 1.00 0.00 C ATOM 163 O ASN A 9 23.016 2.724 0.664 1.00 0.00 O ATOM 164 CB ASN A 9 25.767 0.882 1.214 1.00 0.00 C ATOM 165 CG ASN A 9 26.706 1.098 0.020 1.00 0.00 C ATOM 166 OD1 ASN A 9 27.423 2.101 -0.051 1.00 0.00 O ATOM 167 ND2 ASN A 9 26.676 0.184 -0.941 1.00 0.00 N ATOM 0 H ASN A 9 24.711 2.528 3.808 1.00 0.00 H new ATOM 0 HA ASN A 9 25.936 2.884 2.009 1.00 0.00 H new ATOM 0 HB2 ASN A 9 26.323 0.397 2.016 1.00 0.00 H new ATOM 0 HB3 ASN A 9 24.972 0.198 0.918 1.00 0.00 H new ATOM 0 HD21 ASN A 9 27.257 0.298 -1.771 1.00 0.00 H new ATOM 0 HD22 ASN A 9 26.072 -0.633 -0.849 1.00 0.00 H new ATOM 174 N CYS A 10 24.889 3.652 -0.198 1.00 0.00 N ATOM 175 CA CYS A 10 24.222 4.380 -1.294 1.00 0.00 C ATOM 176 C CYS A 10 24.089 3.470 -2.545 1.00 0.00 C ATOM 177 O CYS A 10 24.275 2.244 -2.453 1.00 0.00 O ATOM 178 CB CYS A 10 25.034 5.667 -1.603 1.00 0.00 C ATOM 179 SG CYS A 10 24.165 6.867 -2.638 1.00 0.00 S ATOM 0 H CYS A 10 25.900 3.787 -0.178 1.00 0.00 H new ATOM 0 HA CYS A 10 23.213 4.665 -0.997 1.00 0.00 H new ATOM 0 HB2 CYS A 10 25.305 6.146 -0.662 1.00 0.00 H new ATOM 0 HB3 CYS A 10 25.964 5.385 -2.097 1.00 0.00 H new ATOM 0 HG CYS A 10 24.436 6.638 -3.889 1.00 0.00 H new ATOM 185 N THR A 11 23.714 4.091 -3.690 1.00 0.00 N ATOM 186 CA THR A 11 23.661 3.455 -5.027 1.00 0.00 C ATOM 187 C THR A 11 22.451 2.509 -5.174 1.00 0.00 C ATOM 188 O THR A 11 21.499 2.851 -5.860 1.00 0.00 O ATOM 189 CB THR A 11 25.001 2.727 -5.412 1.00 0.00 C ATOM 190 OG1 THR A 11 26.097 3.660 -5.312 1.00 0.00 O ATOM 191 CG2 THR A 11 24.957 2.140 -6.837 1.00 0.00 C ATOM 0 H THR A 11 23.434 5.072 -3.709 1.00 0.00 H new ATOM 0 HA THR A 11 23.530 4.272 -5.737 1.00 0.00 H new ATOM 0 HB THR A 11 25.139 1.898 -4.718 1.00 0.00 H new ATOM 0 HG1 THR A 11 26.934 3.209 -5.550 1.00 0.00 H new ATOM 0 HG21 THR A 11 25.904 1.648 -7.057 1.00 0.00 H new ATOM 0 HG22 THR A 11 24.146 1.415 -6.907 1.00 0.00 H new ATOM 0 HG23 THR A 11 24.789 2.942 -7.556 1.00 0.00 H new ATOM 199 N THR A 12 22.492 1.344 -4.507 1.00 0.00 N ATOM 200 CA THR A 12 21.464 0.295 -4.641 1.00 0.00 C ATOM 201 C THR A 12 20.074 0.828 -4.239 1.00 0.00 C ATOM 202 O THR A 12 19.162 0.905 -5.068 1.00 0.00 O ATOM 203 CB THR A 12 21.829 -0.938 -3.756 1.00 0.00 C ATOM 204 OG1 THR A 12 23.216 -1.270 -3.931 1.00 0.00 O ATOM 205 CG2 THR A 12 20.968 -2.164 -4.083 1.00 0.00 C ATOM 0 H THR A 12 23.240 1.101 -3.858 1.00 0.00 H new ATOM 0 HA THR A 12 21.430 -0.009 -5.687 1.00 0.00 H new ATOM 0 HB THR A 12 21.634 -0.661 -2.720 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.440 -2.043 -3.372 1.00 0.00 H new ATOM 0 HG21 THR A 12 21.260 -2.995 -3.441 1.00 0.00 H new ATOM 0 HG22 THR A 12 19.918 -1.927 -3.914 1.00 0.00 H new ATOM 0 HG23 THR A 12 21.114 -2.443 -5.127 1.00 0.00 H new ATOM 213 N CYS A 13 19.976 1.253 -2.967 1.00 0.00 N ATOM 214 CA CYS A 13 18.735 1.758 -2.364 1.00 0.00 C ATOM 215 C CYS A 13 18.274 3.050 -3.058 1.00 0.00 C ATOM 216 O CYS A 13 17.105 3.186 -3.403 1.00 0.00 O ATOM 217 CB CYS A 13 18.958 2.017 -0.854 1.00 0.00 C ATOM 218 SG CYS A 13 20.308 3.173 -0.507 1.00 0.00 S ATOM 0 H CYS A 13 20.767 1.254 -2.323 1.00 0.00 H new ATOM 0 HA CYS A 13 17.956 1.007 -2.492 1.00 0.00 H new ATOM 0 HB2 CYS A 13 18.037 2.407 -0.421 1.00 0.00 H new ATOM 0 HB3 CYS A 13 19.167 1.069 -0.358 1.00 0.00 H new ATOM 0 HG CYS A 13 21.318 2.524 -0.009 1.00 0.00 H new ATOM 224 N LYS A 14 19.233 3.966 -3.295 1.00 0.00 N ATOM 225 CA LYS A 14 18.951 5.318 -3.812 1.00 0.00 C ATOM 226 C LYS A 14 18.433 5.296 -5.259 1.00 0.00 C ATOM 227 O LYS A 14 17.454 5.966 -5.569 1.00 0.00 O ATOM 228 CB LYS A 14 20.213 6.223 -3.694 1.00 0.00 C ATOM 229 CG LYS A 14 20.622 6.581 -2.240 1.00 0.00 C ATOM 230 CD LYS A 14 19.483 7.277 -1.440 1.00 0.00 C ATOM 231 CE LYS A 14 18.981 8.587 -2.092 1.00 0.00 C ATOM 232 NZ LYS A 14 17.798 9.152 -1.387 1.00 0.00 N ATOM 0 H LYS A 14 20.224 3.789 -3.133 1.00 0.00 H new ATOM 0 HA LYS A 14 18.156 5.737 -3.196 1.00 0.00 H new ATOM 0 HB2 LYS A 14 21.050 5.721 -4.179 1.00 0.00 H new ATOM 0 HB3 LYS A 14 20.033 7.147 -4.244 1.00 0.00 H new ATOM 0 HG2 LYS A 14 20.921 5.672 -1.719 1.00 0.00 H new ATOM 0 HG3 LYS A 14 21.493 7.236 -2.265 1.00 0.00 H new ATOM 0 HD2 LYS A 14 18.646 6.586 -1.340 1.00 0.00 H new ATOM 0 HD3 LYS A 14 19.838 7.495 -0.433 1.00 0.00 H new ATOM 0 HE2 LYS A 14 19.786 9.322 -2.092 1.00 0.00 H new ATOM 0 HE3 LYS A 14 18.723 8.396 -3.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.498 10.028 -1.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.019 8.463 -1.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 18.049 9.360 -0.399 1.00 0.00 H new ATOM 246 N LYS A 15 19.091 4.514 -6.131 1.00 0.00 N ATOM 247 CA LYS A 15 18.724 4.426 -7.560 1.00 0.00 C ATOM 248 C LYS A 15 17.436 3.604 -7.754 1.00 0.00 C ATOM 249 O LYS A 15 16.616 3.942 -8.611 1.00 0.00 O ATOM 250 CB LYS A 15 19.869 3.816 -8.403 1.00 0.00 C ATOM 251 CG LYS A 15 21.165 4.658 -8.474 1.00 0.00 C ATOM 252 CD LYS A 15 22.259 3.983 -9.345 1.00 0.00 C ATOM 253 CE LYS A 15 21.826 3.819 -10.819 1.00 0.00 C ATOM 254 NZ LYS A 15 22.786 3.005 -11.608 1.00 0.00 N ATOM 0 H LYS A 15 19.885 3.929 -5.872 1.00 0.00 H new ATOM 0 HA LYS A 15 18.546 5.444 -7.907 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.115 2.836 -7.994 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.504 3.656 -9.418 1.00 0.00 H new ATOM 0 HG2 LYS A 15 20.934 5.642 -8.882 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.550 4.813 -7.466 1.00 0.00 H new ATOM 0 HD2 LYS A 15 23.171 4.578 -9.302 1.00 0.00 H new ATOM 0 HD3 LYS A 15 22.497 3.004 -8.929 1.00 0.00 H new ATOM 0 HE2 LYS A 15 20.842 3.351 -10.855 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.727 4.803 -11.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 22.450 2.925 -12.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 23.720 3.463 -11.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 22.862 2.056 -11.190 1.00 0.00 H new ATOM 268 N ALA A 16 17.277 2.520 -6.964 1.00 0.00 N ATOM 269 CA ALA A 16 16.056 1.678 -6.998 1.00 0.00 C ATOM 270 C ALA A 16 14.826 2.494 -6.567 1.00 0.00 C ATOM 271 O ALA A 16 13.765 2.439 -7.208 1.00 0.00 O ATOM 272 CB ALA A 16 16.228 0.438 -6.106 1.00 0.00 C ATOM 0 H ALA A 16 17.978 2.205 -6.294 1.00 0.00 H new ATOM 0 HA ALA A 16 15.899 1.340 -8.022 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.322 -0.166 -6.145 1.00 0.00 H new ATOM 0 HB2 ALA A 16 17.073 -0.152 -6.462 1.00 0.00 H new ATOM 0 HB3 ALA A 16 16.411 0.752 -5.078 1.00 0.00 H new ATOM 278 N ALA A 17 15.007 3.284 -5.497 1.00 0.00 N ATOM 279 CA ALA A 17 13.971 4.191 -4.974 1.00 0.00 C ATOM 280 C ALA A 17 13.692 5.336 -5.960 1.00 0.00 C ATOM 281 O ALA A 17 12.551 5.759 -6.105 1.00 0.00 O ATOM 282 CB ALA A 17 14.391 4.758 -3.611 1.00 0.00 C ATOM 0 H ALA A 17 15.879 3.312 -4.968 1.00 0.00 H new ATOM 0 HA ALA A 17 13.054 3.616 -4.849 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.614 5.426 -3.240 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.534 3.940 -2.905 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.324 5.311 -3.719 1.00 0.00 H new ATOM 288 N LYS A 18 14.760 5.820 -6.627 1.00 0.00 N ATOM 289 CA LYS A 18 14.676 6.884 -7.657 1.00 0.00 C ATOM 290 C LYS A 18 13.893 6.393 -8.888 1.00 0.00 C ATOM 291 O LYS A 18 13.159 7.157 -9.488 1.00 0.00 O ATOM 292 CB LYS A 18 16.106 7.345 -8.081 1.00 0.00 C ATOM 293 CG LYS A 18 16.216 8.351 -9.275 1.00 0.00 C ATOM 294 CD LYS A 18 15.906 9.842 -8.923 1.00 0.00 C ATOM 295 CE LYS A 18 14.400 10.188 -8.851 1.00 0.00 C ATOM 296 NZ LYS A 18 13.701 9.965 -10.152 1.00 0.00 N ATOM 0 H LYS A 18 15.710 5.485 -6.468 1.00 0.00 H new ATOM 0 HA LYS A 18 14.145 7.732 -7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 18 16.584 7.799 -7.213 1.00 0.00 H new ATOM 0 HB3 LYS A 18 16.684 6.457 -8.335 1.00 0.00 H new ATOM 0 HG2 LYS A 18 17.224 8.294 -9.685 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.533 8.031 -10.062 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.366 10.078 -7.963 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.377 10.483 -9.668 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.927 9.581 -8.079 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.283 11.230 -8.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.021 10.734 -10.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.399 9.949 -10.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.196 9.056 -10.123 1.00 0.00 H new ATOM 310 N PHE A 19 14.059 5.105 -9.230 1.00 0.00 N ATOM 311 CA PHE A 19 13.451 4.479 -10.424 1.00 0.00 C ATOM 312 C PHE A 19 11.940 4.278 -10.205 1.00 0.00 C ATOM 313 O PHE A 19 11.113 4.601 -11.077 1.00 0.00 O ATOM 314 CB PHE A 19 14.160 3.127 -10.705 1.00 0.00 C ATOM 315 CG PHE A 19 13.741 2.448 -12.004 1.00 0.00 C ATOM 316 CD1 PHE A 19 14.035 3.037 -13.231 1.00 0.00 C ATOM 317 CD2 PHE A 19 13.062 1.232 -12.005 1.00 0.00 C ATOM 318 CE1 PHE A 19 13.663 2.432 -14.414 1.00 0.00 C ATOM 319 CE2 PHE A 19 12.693 0.632 -13.194 1.00 0.00 C ATOM 320 CZ PHE A 19 12.991 1.231 -14.396 1.00 0.00 C ATOM 0 H PHE A 19 14.625 4.458 -8.681 1.00 0.00 H new ATOM 0 HA PHE A 19 13.579 5.130 -11.289 1.00 0.00 H new ATOM 0 HB2 PHE A 19 15.237 3.295 -10.729 1.00 0.00 H new ATOM 0 HB3 PHE A 19 13.962 2.448 -9.875 1.00 0.00 H new ATOM 0 HD1 PHE A 19 14.561 3.980 -13.257 1.00 0.00 H new ATOM 0 HD2 PHE A 19 12.821 0.753 -11.067 1.00 0.00 H new ATOM 0 HE1 PHE A 19 13.900 2.902 -15.357 1.00 0.00 H new ATOM 0 HE2 PHE A 19 12.168 -0.312 -13.179 1.00 0.00 H new ATOM 0 HZ PHE A 19 12.698 0.760 -15.323 1.00 0.00 H new ATOM 330 N LEU A 20 11.609 3.745 -9.017 1.00 0.00 N ATOM 331 CA LEU A 20 10.224 3.590 -8.551 1.00 0.00 C ATOM 332 C LEU A 20 9.537 4.971 -8.460 1.00 0.00 C ATOM 333 O LEU A 20 8.429 5.150 -8.952 1.00 0.00 O ATOM 334 CB LEU A 20 10.212 2.841 -7.188 1.00 0.00 C ATOM 335 CG LEU A 20 10.572 1.317 -7.255 1.00 0.00 C ATOM 336 CD1 LEU A 20 10.819 0.729 -5.846 1.00 0.00 C ATOM 337 CD2 LEU A 20 9.472 0.521 -8.002 1.00 0.00 C ATOM 0 H LEU A 20 12.302 3.407 -8.349 1.00 0.00 H new ATOM 0 HA LEU A 20 9.658 2.992 -9.265 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.915 3.334 -6.516 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.221 2.944 -6.745 1.00 0.00 H new ATOM 0 HG LEU A 20 11.501 1.223 -7.817 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.066 -0.329 -5.932 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.646 1.257 -5.371 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.920 0.844 -5.241 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.745 -0.534 -8.035 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.522 0.634 -7.479 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.374 0.902 -9.018 1.00 0.00 H new ATOM 349 N ASP A 21 10.252 5.955 -7.886 1.00 0.00 N ATOM 350 CA ASP A 21 9.782 7.363 -7.788 1.00 0.00 C ATOM 351 C ASP A 21 9.615 8.006 -9.179 1.00 0.00 C ATOM 352 O ASP A 21 8.675 8.774 -9.405 1.00 0.00 O ATOM 353 CB ASP A 21 10.767 8.194 -6.918 1.00 0.00 C ATOM 354 CG ASP A 21 10.468 9.710 -6.877 1.00 0.00 C ATOM 355 OD1 ASP A 21 9.425 10.105 -6.316 1.00 0.00 O ATOM 356 OD2 ASP A 21 11.285 10.515 -7.384 1.00 0.00 O ATOM 0 H ASP A 21 11.173 5.804 -7.475 1.00 0.00 H new ATOM 0 HA ASP A 21 8.802 7.357 -7.312 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.748 7.806 -5.900 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.778 8.047 -7.297 1.00 0.00 H new ATOM 361 N GLU A 22 10.519 7.644 -10.105 1.00 0.00 N ATOM 362 CA GLU A 22 10.583 8.211 -11.469 1.00 0.00 C ATOM 363 C GLU A 22 9.304 7.874 -12.249 1.00 0.00 C ATOM 364 O GLU A 22 8.695 8.741 -12.886 1.00 0.00 O ATOM 365 CB GLU A 22 11.824 7.644 -12.209 1.00 0.00 C ATOM 366 CG GLU A 22 12.120 8.268 -13.582 1.00 0.00 C ATOM 367 CD GLU A 22 12.630 9.717 -13.483 1.00 0.00 C ATOM 368 OE1 GLU A 22 13.834 9.909 -13.174 1.00 0.00 O ATOM 369 OE2 GLU A 22 11.844 10.664 -13.701 1.00 0.00 O ATOM 0 H GLU A 22 11.236 6.941 -9.928 1.00 0.00 H new ATOM 0 HA GLU A 22 10.669 9.295 -11.399 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.698 7.780 -11.572 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.688 6.570 -12.339 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.863 7.661 -14.099 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.214 8.247 -14.188 1.00 0.00 H new ATOM 376 N TYR A 23 8.904 6.596 -12.162 1.00 0.00 N ATOM 377 CA TYR A 23 7.679 6.079 -12.806 1.00 0.00 C ATOM 378 C TYR A 23 6.412 6.308 -11.950 1.00 0.00 C ATOM 379 O TYR A 23 5.318 5.885 -12.348 1.00 0.00 O ATOM 380 CB TYR A 23 7.873 4.580 -13.150 1.00 0.00 C ATOM 381 CG TYR A 23 8.751 4.329 -14.395 1.00 0.00 C ATOM 382 CD1 TYR A 23 10.138 4.510 -14.365 1.00 0.00 C ATOM 383 CD2 TYR A 23 8.183 3.903 -15.604 1.00 0.00 C ATOM 384 CE1 TYR A 23 10.916 4.273 -15.488 1.00 0.00 C ATOM 385 CE2 TYR A 23 8.959 3.665 -16.721 1.00 0.00 C ATOM 386 CZ TYR A 23 10.324 3.849 -16.657 1.00 0.00 C ATOM 387 OH TYR A 23 11.100 3.613 -17.772 1.00 0.00 O ATOM 0 H TYR A 23 9.421 5.887 -11.642 1.00 0.00 H new ATOM 0 HA TYR A 23 7.517 6.641 -13.726 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.322 4.077 -12.294 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.895 4.125 -13.310 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.611 4.840 -13.452 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.114 3.758 -15.663 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.985 4.421 -15.446 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.499 3.336 -17.641 1.00 0.00 H new ATOM 0 HH TYR A 23 10.529 3.319 -18.512 1.00 0.00 H new ATOM 397 N GLY A 24 6.564 6.989 -10.795 1.00 0.00 N ATOM 398 CA GLY A 24 5.424 7.365 -9.946 1.00 0.00 C ATOM 399 C GLY A 24 4.735 6.169 -9.300 1.00 0.00 C ATOM 400 O GLY A 24 3.506 6.061 -9.305 1.00 0.00 O ATOM 0 H GLY A 24 7.469 7.288 -10.432 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.769 8.043 -9.165 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.698 7.914 -10.546 1.00 0.00 H new ATOM 404 N VAL A 25 5.554 5.255 -8.780 1.00 0.00 N ATOM 405 CA VAL A 25 5.114 3.998 -8.144 1.00 0.00 C ATOM 406 C VAL A 25 5.199 4.117 -6.611 1.00 0.00 C ATOM 407 O VAL A 25 6.210 4.596 -6.083 1.00 0.00 O ATOM 408 CB VAL A 25 6.009 2.801 -8.630 1.00 0.00 C ATOM 409 CG1 VAL A 25 5.498 1.442 -8.105 1.00 0.00 C ATOM 410 CG2 VAL A 25 6.119 2.795 -10.166 1.00 0.00 C ATOM 0 H VAL A 25 6.568 5.364 -8.786 1.00 0.00 H new ATOM 0 HA VAL A 25 4.079 3.810 -8.430 1.00 0.00 H new ATOM 0 HB VAL A 25 7.005 2.948 -8.212 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.148 0.645 -8.466 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.503 1.448 -7.015 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.482 1.272 -8.462 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.743 1.959 -10.483 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.125 2.692 -10.602 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.567 3.730 -10.502 1.00 0.00 H new ATOM 420 N SER A 26 4.134 3.687 -5.913 1.00 0.00 N ATOM 421 CA SER A 26 4.091 3.671 -4.441 1.00 0.00 C ATOM 422 C SER A 26 4.996 2.555 -3.880 1.00 0.00 C ATOM 423 O SER A 26 4.753 1.368 -4.127 1.00 0.00 O ATOM 424 CB SER A 26 2.636 3.478 -3.950 1.00 0.00 C ATOM 425 OG SER A 26 1.783 4.507 -4.423 1.00 0.00 O ATOM 0 H SER A 26 3.281 3.342 -6.352 1.00 0.00 H new ATOM 0 HA SER A 26 4.462 4.629 -4.077 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.263 2.511 -4.288 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.618 3.463 -2.860 1.00 0.00 H new ATOM 0 HG SER A 26 0.872 4.353 -4.096 1.00 0.00 H new ATOM 431 N TYR A 27 6.045 2.957 -3.149 1.00 0.00 N ATOM 432 CA TYR A 27 6.952 2.028 -2.454 1.00 0.00 C ATOM 433 C TYR A 27 7.131 2.483 -0.997 1.00 0.00 C ATOM 434 O TYR A 27 6.791 3.618 -0.641 1.00 0.00 O ATOM 435 CB TYR A 27 8.319 1.926 -3.185 1.00 0.00 C ATOM 436 CG TYR A 27 9.162 3.215 -3.189 1.00 0.00 C ATOM 437 CD1 TYR A 27 8.931 4.232 -4.120 1.00 0.00 C ATOM 438 CD2 TYR A 27 10.196 3.408 -2.264 1.00 0.00 C ATOM 439 CE1 TYR A 27 9.693 5.384 -4.128 1.00 0.00 C ATOM 440 CE2 TYR A 27 10.955 4.562 -2.268 1.00 0.00 C ATOM 441 CZ TYR A 27 10.702 5.547 -3.203 1.00 0.00 C ATOM 442 OH TYR A 27 11.463 6.700 -3.217 1.00 0.00 O ATOM 0 H TYR A 27 6.291 3.939 -3.022 1.00 0.00 H new ATOM 0 HA TYR A 27 6.512 1.031 -2.460 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.903 1.132 -2.720 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.139 1.626 -4.217 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.141 4.115 -4.847 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.404 2.640 -1.534 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.499 6.156 -4.858 1.00 0.00 H new ATOM 0 HE2 TYR A 27 11.744 4.694 -1.542 1.00 0.00 H new ATOM 0 HH TYR A 27 12.004 6.725 -4.034 1.00 0.00 H new ATOM 452 N GLU A 28 7.695 1.605 -0.170 1.00 0.00 N ATOM 453 CA GLU A 28 7.887 1.839 1.266 1.00 0.00 C ATOM 454 C GLU A 28 9.348 1.502 1.625 1.00 0.00 C ATOM 455 O GLU A 28 9.683 0.322 1.711 1.00 0.00 O ATOM 456 CB GLU A 28 6.880 0.968 2.084 1.00 0.00 C ATOM 457 CG GLU A 28 7.023 1.093 3.611 1.00 0.00 C ATOM 458 CD GLU A 28 5.910 0.381 4.398 1.00 0.00 C ATOM 459 OE1 GLU A 28 6.011 -0.836 4.627 1.00 0.00 O ATOM 460 OE2 GLU A 28 4.927 1.045 4.797 1.00 0.00 O ATOM 0 H GLU A 28 8.038 0.696 -0.480 1.00 0.00 H new ATOM 0 HA GLU A 28 7.695 2.883 1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.865 1.248 1.803 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.012 -0.077 1.804 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.987 0.683 3.911 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.028 2.149 3.881 1.00 0.00 H new ATOM 467 N PRO A 29 10.258 2.532 1.775 1.00 0.00 N ATOM 468 CA PRO A 29 11.676 2.307 2.143 1.00 0.00 C ATOM 469 C PRO A 29 11.827 1.913 3.632 1.00 0.00 C ATOM 470 O PRO A 29 11.857 2.763 4.532 1.00 0.00 O ATOM 471 CB PRO A 29 12.349 3.668 1.810 1.00 0.00 C ATOM 472 CG PRO A 29 11.254 4.674 2.001 1.00 0.00 C ATOM 473 CD PRO A 29 9.972 3.982 1.574 1.00 0.00 C ATOM 0 HA PRO A 29 12.134 1.476 1.606 1.00 0.00 H new ATOM 0 HB2 PRO A 29 13.193 3.867 2.470 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.732 3.684 0.790 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.196 4.995 3.041 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.435 5.566 1.401 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.123 4.308 2.175 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.728 4.200 0.534 1.00 0.00 H new ATOM 481 N ILE A 30 11.866 0.599 3.876 1.00 0.00 N ATOM 482 CA ILE A 30 11.965 0.005 5.223 1.00 0.00 C ATOM 483 C ILE A 30 13.250 -0.825 5.346 1.00 0.00 C ATOM 484 O ILE A 30 13.735 -1.386 4.360 1.00 0.00 O ATOM 485 CB ILE A 30 10.685 -0.871 5.565 1.00 0.00 C ATOM 486 CG1 ILE A 30 10.238 -1.704 4.311 1.00 0.00 C ATOM 487 CG2 ILE A 30 9.536 0.019 6.111 1.00 0.00 C ATOM 488 CD1 ILE A 30 8.954 -2.496 4.469 1.00 0.00 C ATOM 0 H ILE A 30 11.829 -0.098 3.133 1.00 0.00 H new ATOM 0 HA ILE A 30 12.007 0.817 5.949 1.00 0.00 H new ATOM 0 HB ILE A 30 10.945 -1.578 6.353 1.00 0.00 H new ATOM 0 HG12 ILE A 30 10.121 -1.023 3.468 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.040 -2.396 4.053 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.670 -0.603 6.338 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.867 0.525 7.018 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.263 0.761 5.361 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.741 -3.032 3.544 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.065 -3.210 5.285 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.132 -1.816 4.691 1.00 0.00 H new ATOM 500 N ASP A 31 13.804 -0.864 6.569 1.00 0.00 N ATOM 501 CA ASP A 31 15.054 -1.583 6.865 1.00 0.00 C ATOM 502 C ASP A 31 14.821 -3.094 6.866 1.00 0.00 C ATOM 503 O ASP A 31 13.876 -3.569 7.497 1.00 0.00 O ATOM 504 CB ASP A 31 15.628 -1.147 8.221 1.00 0.00 C ATOM 505 CG ASP A 31 15.961 0.351 8.277 1.00 0.00 C ATOM 506 OD1 ASP A 31 17.042 0.746 7.788 1.00 0.00 O ATOM 507 OD2 ASP A 31 15.139 1.140 8.799 1.00 0.00 O ATOM 0 H ASP A 31 13.398 -0.398 7.380 1.00 0.00 H new ATOM 0 HA ASP A 31 15.773 -1.336 6.084 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.910 -1.384 9.006 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.530 -1.722 8.430 1.00 0.00 H new ATOM 512 N ILE A 32 15.696 -3.840 6.165 1.00 0.00 N ATOM 513 CA ILE A 32 15.588 -5.311 6.052 1.00 0.00 C ATOM 514 C ILE A 32 15.820 -6.010 7.415 1.00 0.00 C ATOM 515 O ILE A 32 15.139 -6.982 7.730 1.00 0.00 O ATOM 516 CB ILE A 32 16.581 -5.890 4.960 1.00 0.00 C ATOM 517 CG1 ILE A 32 16.305 -7.408 4.650 1.00 0.00 C ATOM 518 CG2 ILE A 32 18.061 -5.675 5.353 1.00 0.00 C ATOM 519 CD1 ILE A 32 15.009 -7.694 3.915 1.00 0.00 C ATOM 0 H ILE A 32 16.492 -3.446 5.664 1.00 0.00 H new ATOM 0 HA ILE A 32 14.569 -5.525 5.731 1.00 0.00 H new ATOM 0 HB ILE A 32 16.391 -5.326 4.047 1.00 0.00 H new ATOM 0 HG12 ILE A 32 17.133 -7.797 4.058 1.00 0.00 H new ATOM 0 HG13 ILE A 32 16.299 -7.959 5.591 1.00 0.00 H new ATOM 0 HG21 ILE A 32 18.707 -6.086 4.577 1.00 0.00 H new ATOM 0 HG22 ILE A 32 18.258 -4.608 5.461 1.00 0.00 H new ATOM 0 HG23 ILE A 32 18.263 -6.178 6.298 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.913 -8.767 3.750 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.167 -7.342 4.511 1.00 0.00 H new ATOM 0 HD13 ILE A 32 15.014 -7.178 2.955 1.00 0.00 H new ATOM 531 N VAL A 33 16.780 -5.499 8.227 1.00 0.00 N ATOM 532 CA VAL A 33 17.185 -6.155 9.502 1.00 0.00 C ATOM 533 C VAL A 33 16.525 -5.503 10.732 1.00 0.00 C ATOM 534 O VAL A 33 16.181 -6.194 11.702 1.00 0.00 O ATOM 535 CB VAL A 33 18.753 -6.197 9.674 1.00 0.00 C ATOM 536 CG1 VAL A 33 19.360 -4.791 9.783 1.00 0.00 C ATOM 537 CG2 VAL A 33 19.175 -7.102 10.870 1.00 0.00 C ATOM 0 H VAL A 33 17.288 -4.638 8.025 1.00 0.00 H new ATOM 0 HA VAL A 33 16.825 -7.182 9.439 1.00 0.00 H new ATOM 0 HB VAL A 33 19.160 -6.646 8.768 1.00 0.00 H new ATOM 0 HG11 VAL A 33 20.441 -4.869 9.900 1.00 0.00 H new ATOM 0 HG12 VAL A 33 19.133 -4.226 8.879 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.938 -4.278 10.647 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.261 -7.106 10.957 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.738 -6.715 11.791 1.00 0.00 H new ATOM 0 HG23 VAL A 33 18.821 -8.119 10.700 1.00 0.00 H new ATOM 547 N GLN A 34 16.333 -4.177 10.683 1.00 0.00 N ATOM 548 CA GLN A 34 15.686 -3.434 11.786 1.00 0.00 C ATOM 549 C GLN A 34 14.182 -3.765 11.793 1.00 0.00 C ATOM 550 O GLN A 34 13.581 -3.969 12.852 1.00 0.00 O ATOM 551 CB GLN A 34 15.926 -1.907 11.627 1.00 0.00 C ATOM 552 CG GLN A 34 15.476 -1.035 12.818 1.00 0.00 C ATOM 553 CD GLN A 34 15.627 0.466 12.544 1.00 0.00 C ATOM 554 OE1 GLN A 34 16.809 1.007 12.802 1.00 0.00 O flip ATOM 555 NE2 GLN A 34 14.697 1.123 12.077 1.00 0.00 N flip ATOM 0 H GLN A 34 16.614 -3.593 9.895 1.00 0.00 H new ATOM 0 HA GLN A 34 16.121 -3.734 12.739 1.00 0.00 H new ATOM 0 HB2 GLN A 34 16.990 -1.740 11.459 1.00 0.00 H new ATOM 0 HB3 GLN A 34 15.404 -1.566 10.733 1.00 0.00 H new ATOM 0 HG2 GLN A 34 14.434 -1.255 13.050 1.00 0.00 H new ATOM 0 HG3 GLN A 34 16.061 -1.300 13.698 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.800 0.675 11.890 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.824 2.115 11.877 1.00 0.00 H new ATOM 564 N HIS A 35 13.604 -3.860 10.578 1.00 0.00 N ATOM 565 CA HIS A 35 12.185 -4.205 10.366 1.00 0.00 C ATOM 566 C HIS A 35 12.094 -5.492 9.513 1.00 0.00 C ATOM 567 O HIS A 35 11.690 -5.454 8.348 1.00 0.00 O ATOM 568 CB HIS A 35 11.441 -3.020 9.678 1.00 0.00 C ATOM 569 CG HIS A 35 11.478 -1.724 10.445 1.00 0.00 C ATOM 570 ND1 HIS A 35 10.420 -1.263 11.197 1.00 0.00 N ATOM 571 CD2 HIS A 35 12.449 -0.789 10.570 1.00 0.00 C ATOM 572 CE1 HIS A 35 10.739 -0.109 11.747 1.00 0.00 C ATOM 573 NE2 HIS A 35 11.967 0.200 11.389 1.00 0.00 N ATOM 0 H HIS A 35 14.114 -3.698 9.710 1.00 0.00 H new ATOM 0 HA HIS A 35 11.703 -4.388 11.327 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.879 -2.856 8.693 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.400 -3.304 9.521 1.00 0.00 H new ATOM 0 HD1 HIS A 35 9.526 -1.742 11.311 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.425 -0.817 10.109 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.100 0.484 12.385 1.00 0.00 H new ATOM 582 N THR A 36 12.522 -6.624 10.097 1.00 0.00 N ATOM 583 CA THR A 36 12.518 -7.932 9.416 1.00 0.00 C ATOM 584 C THR A 36 11.114 -8.567 9.486 1.00 0.00 C ATOM 585 O THR A 36 10.497 -8.542 10.560 1.00 0.00 O ATOM 586 CB THR A 36 13.560 -8.922 10.066 1.00 0.00 C ATOM 587 OG1 THR A 36 14.785 -8.232 10.341 1.00 0.00 O ATOM 588 CG2 THR A 36 13.873 -10.121 9.152 1.00 0.00 C ATOM 0 H THR A 36 12.880 -6.659 11.052 1.00 0.00 H new ATOM 0 HA THR A 36 12.797 -7.760 8.377 1.00 0.00 H new ATOM 0 HB THR A 36 13.110 -9.296 10.986 1.00 0.00 H new ATOM 0 HG1 THR A 36 14.646 -7.598 11.075 1.00 0.00 H new ATOM 0 HG21 THR A 36 14.595 -10.774 9.643 1.00 0.00 H new ATOM 0 HG22 THR A 36 12.956 -10.677 8.954 1.00 0.00 H new ATOM 0 HG23 THR A 36 14.290 -9.762 8.211 1.00 0.00 H new ATOM 596 N PRO A 37 10.572 -9.123 8.351 1.00 0.00 N ATOM 597 CA PRO A 37 9.359 -9.971 8.387 1.00 0.00 C ATOM 598 C PRO A 37 9.571 -11.228 9.269 1.00 0.00 C ATOM 599 O PRO A 37 10.701 -11.719 9.400 1.00 0.00 O ATOM 600 CB PRO A 37 9.125 -10.362 6.897 1.00 0.00 C ATOM 601 CG PRO A 37 9.884 -9.339 6.105 1.00 0.00 C ATOM 602 CD PRO A 37 11.071 -8.951 6.958 1.00 0.00 C ATOM 0 HA PRO A 37 8.505 -9.453 8.823 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.487 -11.369 6.691 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.064 -10.348 6.647 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.208 -9.748 5.148 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.260 -8.472 5.887 1.00 0.00 H new ATOM 0 HD2 PRO A 37 11.933 -9.588 6.759 1.00 0.00 H new ATOM 0 HD3 PRO A 37 11.383 -7.924 6.768 1.00 0.00 H new ATOM 610 N THR A 38 8.487 -11.717 9.889 1.00 0.00 N ATOM 611 CA THR A 38 8.504 -12.944 10.714 1.00 0.00 C ATOM 612 C THR A 38 8.481 -14.192 9.818 1.00 0.00 C ATOM 613 O THR A 38 8.431 -14.083 8.587 1.00 0.00 O ATOM 614 CB THR A 38 7.292 -12.976 11.711 1.00 0.00 C ATOM 615 OG1 THR A 38 6.053 -12.931 10.984 1.00 0.00 O ATOM 616 CG2 THR A 38 7.343 -11.804 12.708 1.00 0.00 C ATOM 0 H THR A 38 7.569 -11.275 9.835 1.00 0.00 H new ATOM 0 HA THR A 38 9.425 -12.941 11.297 1.00 0.00 H new ATOM 0 HB THR A 38 7.357 -13.906 12.276 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.303 -12.953 11.614 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.487 -11.861 13.381 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.265 -11.859 13.287 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.313 -10.861 12.163 1.00 0.00 H new ATOM 624 N ILE A 39 8.518 -15.376 10.450 1.00 0.00 N ATOM 625 CA ILE A 39 8.531 -16.673 9.745 1.00 0.00 C ATOM 626 C ILE A 39 7.238 -16.838 8.915 1.00 0.00 C ATOM 627 O ILE A 39 7.287 -17.302 7.767 1.00 0.00 O ATOM 628 CB ILE A 39 8.702 -17.853 10.774 1.00 0.00 C ATOM 629 CG1 ILE A 39 9.929 -17.577 11.716 1.00 0.00 C ATOM 630 CG2 ILE A 39 8.842 -19.222 10.057 1.00 0.00 C ATOM 631 CD1 ILE A 39 10.053 -18.499 12.917 1.00 0.00 C ATOM 0 H ILE A 39 8.540 -15.464 11.466 1.00 0.00 H new ATOM 0 HA ILE A 39 9.380 -16.699 9.061 1.00 0.00 H new ATOM 0 HB ILE A 39 7.800 -17.903 11.384 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.842 -17.653 11.126 1.00 0.00 H new ATOM 0 HG13 ILE A 39 9.866 -16.549 12.074 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.958 -20.011 10.800 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.950 -19.413 9.460 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.716 -19.204 9.407 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.932 -18.222 13.499 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.162 -18.408 13.539 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.154 -19.529 12.576 1.00 0.00 H new ATOM 643 N ASN A 40 6.099 -16.403 9.508 1.00 0.00 N ATOM 644 CA ASN A 40 4.788 -16.340 8.823 1.00 0.00 C ATOM 645 C ASN A 40 4.856 -15.389 7.612 1.00 0.00 C ATOM 646 O ASN A 40 4.550 -15.797 6.498 1.00 0.00 O ATOM 647 CB ASN A 40 3.654 -15.857 9.776 1.00 0.00 C ATOM 648 CG ASN A 40 3.194 -16.887 10.808 1.00 0.00 C ATOM 649 OD1 ASN A 40 3.219 -18.091 10.562 1.00 0.00 O ATOM 650 ND2 ASN A 40 2.740 -16.415 11.964 1.00 0.00 N ATOM 0 H ASN A 40 6.066 -16.086 10.477 1.00 0.00 H new ATOM 0 HA ASN A 40 4.557 -17.353 8.493 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.997 -14.966 10.302 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.795 -15.560 9.173 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.399 -17.058 12.679 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.733 -15.410 12.137 1.00 0.00 H new ATOM 657 N GLU A 41 5.293 -14.131 7.852 1.00 0.00 N ATOM 658 CA GLU A 41 5.295 -13.065 6.821 1.00 0.00 C ATOM 659 C GLU A 41 6.167 -13.450 5.607 1.00 0.00 C ATOM 660 O GLU A 41 5.794 -13.187 4.460 1.00 0.00 O ATOM 661 CB GLU A 41 5.775 -11.723 7.427 1.00 0.00 C ATOM 662 CG GLU A 41 4.836 -11.132 8.495 1.00 0.00 C ATOM 663 CD GLU A 41 5.369 -9.822 9.106 1.00 0.00 C ATOM 664 OE1 GLU A 41 5.094 -8.740 8.559 1.00 0.00 O ATOM 665 OE2 GLU A 41 6.073 -9.876 10.139 1.00 0.00 O ATOM 0 H GLU A 41 5.651 -13.827 8.757 1.00 0.00 H new ATOM 0 HA GLU A 41 4.270 -12.946 6.469 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.760 -11.870 7.869 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.892 -10.997 6.623 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.858 -10.947 8.049 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.691 -11.864 9.289 1.00 0.00 H new ATOM 672 N PHE A 42 7.309 -14.106 5.882 1.00 0.00 N ATOM 673 CA PHE A 42 8.201 -14.628 4.840 1.00 0.00 C ATOM 674 C PHE A 42 7.487 -15.724 4.026 1.00 0.00 C ATOM 675 O PHE A 42 7.290 -15.550 2.827 1.00 0.00 O ATOM 676 CB PHE A 42 9.550 -15.138 5.432 1.00 0.00 C ATOM 677 CG PHE A 42 10.657 -14.081 5.487 1.00 0.00 C ATOM 678 CD1 PHE A 42 11.157 -13.528 4.305 1.00 0.00 C ATOM 679 CD2 PHE A 42 11.191 -13.642 6.695 1.00 0.00 C ATOM 680 CE1 PHE A 42 12.153 -12.572 4.333 1.00 0.00 C ATOM 681 CE2 PHE A 42 12.188 -12.686 6.719 1.00 0.00 C ATOM 682 CZ PHE A 42 12.666 -12.150 5.540 1.00 0.00 C ATOM 0 H PHE A 42 7.636 -14.287 6.831 1.00 0.00 H new ATOM 0 HA PHE A 42 8.448 -13.808 4.166 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.372 -15.513 6.440 1.00 0.00 H new ATOM 0 HB3 PHE A 42 9.899 -15.981 4.836 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.758 -13.853 3.355 1.00 0.00 H new ATOM 0 HD2 PHE A 42 10.822 -14.053 7.623 1.00 0.00 H new ATOM 0 HE1 PHE A 42 12.529 -12.156 3.410 1.00 0.00 H new ATOM 0 HE2 PHE A 42 12.595 -12.357 7.664 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.442 -11.400 5.564 1.00 0.00 H new ATOM 692 N LYS A 43 7.039 -16.822 4.680 1.00 0.00 N ATOM 693 CA LYS A 43 6.395 -17.955 3.951 1.00 0.00 C ATOM 694 C LYS A 43 5.107 -17.514 3.222 1.00 0.00 C ATOM 695 O LYS A 43 4.724 -18.119 2.223 1.00 0.00 O ATOM 696 CB LYS A 43 6.119 -19.167 4.885 1.00 0.00 C ATOM 697 CG LYS A 43 5.117 -18.924 6.034 1.00 0.00 C ATOM 698 CD LYS A 43 4.913 -20.170 6.936 1.00 0.00 C ATOM 699 CE LYS A 43 6.224 -20.665 7.580 1.00 0.00 C ATOM 700 NZ LYS A 43 6.017 -21.828 8.477 1.00 0.00 N ATOM 0 H LYS A 43 7.106 -16.952 5.689 1.00 0.00 H new ATOM 0 HA LYS A 43 7.108 -18.280 3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.750 -19.992 4.276 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.066 -19.489 5.318 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.469 -18.093 6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.157 -18.626 5.614 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.196 -19.930 7.721 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.479 -20.975 6.343 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.929 -20.938 6.795 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.676 -19.851 8.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.939 -22.204 8.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.477 -21.529 9.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.489 -22.567 7.971 1.00 0.00 H new ATOM 714 N THR A 44 4.488 -16.416 3.706 1.00 0.00 N ATOM 715 CA THR A 44 3.296 -15.824 3.082 1.00 0.00 C ATOM 716 C THR A 44 3.663 -15.161 1.741 1.00 0.00 C ATOM 717 O THR A 44 3.096 -15.521 0.704 1.00 0.00 O ATOM 718 CB THR A 44 2.595 -14.793 4.031 1.00 0.00 C ATOM 719 OG1 THR A 44 2.159 -15.461 5.226 1.00 0.00 O ATOM 720 CG2 THR A 44 1.386 -14.099 3.373 1.00 0.00 C ATOM 0 H THR A 44 4.804 -15.919 4.539 1.00 0.00 H new ATOM 0 HA THR A 44 2.588 -16.631 2.894 1.00 0.00 H new ATOM 0 HB THR A 44 3.330 -14.021 4.261 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.924 -15.595 5.824 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.942 -13.397 4.078 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.715 -13.561 2.484 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.646 -14.848 3.091 1.00 0.00 H new ATOM 728 N ILE A 45 4.649 -14.227 1.756 1.00 0.00 N ATOM 729 CA ILE A 45 5.054 -13.488 0.535 1.00 0.00 C ATOM 730 C ILE A 45 5.618 -14.459 -0.521 1.00 0.00 C ATOM 731 O ILE A 45 5.436 -14.255 -1.704 1.00 0.00 O ATOM 732 CB ILE A 45 6.083 -12.315 0.815 1.00 0.00 C ATOM 733 CG1 ILE A 45 7.489 -12.847 1.282 1.00 0.00 C ATOM 734 CG2 ILE A 45 5.490 -11.295 1.825 1.00 0.00 C ATOM 735 CD1 ILE A 45 8.523 -11.774 1.605 1.00 0.00 C ATOM 0 H ILE A 45 5.173 -13.971 2.593 1.00 0.00 H new ATOM 0 HA ILE A 45 4.150 -13.015 0.152 1.00 0.00 H new ATOM 0 HB ILE A 45 6.252 -11.798 -0.130 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.347 -13.468 2.166 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.892 -13.492 0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.212 -10.498 2.004 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.573 -10.869 1.417 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.268 -11.801 2.765 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.454 -12.248 1.916 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.704 -11.165 0.719 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.151 -11.141 2.411 1.00 0.00 H new ATOM 747 N ILE A 46 6.254 -15.539 -0.054 1.00 0.00 N ATOM 748 CA ILE A 46 6.813 -16.600 -0.913 1.00 0.00 C ATOM 749 C ILE A 46 5.694 -17.446 -1.551 1.00 0.00 C ATOM 750 O ILE A 46 5.764 -17.783 -2.738 1.00 0.00 O ATOM 751 CB ILE A 46 7.812 -17.479 -0.070 1.00 0.00 C ATOM 752 CG1 ILE A 46 9.029 -16.595 0.365 1.00 0.00 C ATOM 753 CG2 ILE A 46 8.281 -18.754 -0.823 1.00 0.00 C ATOM 754 CD1 ILE A 46 9.772 -17.095 1.569 1.00 0.00 C ATOM 0 H ILE A 46 6.399 -15.707 0.942 1.00 0.00 H new ATOM 0 HA ILE A 46 7.364 -16.146 -1.737 1.00 0.00 H new ATOM 0 HB ILE A 46 7.283 -17.838 0.813 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.725 -16.524 -0.471 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.672 -15.586 0.569 1.00 0.00 H new ATOM 0 HG21 ILE A 46 8.967 -19.318 -0.191 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.417 -19.373 -1.063 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.789 -18.467 -1.744 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.597 -16.419 1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.095 -17.138 2.422 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.165 -18.091 1.366 1.00 0.00 H new ATOM 766 N ALA A 47 4.650 -17.748 -0.761 1.00 0.00 N ATOM 767 CA ALA A 47 3.480 -18.527 -1.234 1.00 0.00 C ATOM 768 C ALA A 47 2.636 -17.725 -2.249 1.00 0.00 C ATOM 769 O ALA A 47 2.048 -18.292 -3.174 1.00 0.00 O ATOM 770 CB ALA A 47 2.610 -18.949 -0.038 1.00 0.00 C ATOM 0 H ALA A 47 4.587 -17.464 0.217 1.00 0.00 H new ATOM 0 HA ALA A 47 3.853 -19.416 -1.742 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.753 -19.520 -0.395 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.199 -19.565 0.641 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.260 -18.061 0.489 1.00 0.00 H new ATOM 776 N ASN A 48 2.594 -16.397 -2.055 1.00 0.00 N ATOM 777 CA ASN A 48 1.762 -15.478 -2.863 1.00 0.00 C ATOM 778 C ASN A 48 2.452 -15.105 -4.189 1.00 0.00 C ATOM 779 O ASN A 48 1.835 -15.186 -5.260 1.00 0.00 O ATOM 780 CB ASN A 48 1.422 -14.197 -2.039 1.00 0.00 C ATOM 781 CG ASN A 48 0.414 -14.410 -0.890 1.00 0.00 C ATOM 782 OD1 ASN A 48 0.437 -15.572 -0.237 1.00 0.00 O flip ATOM 783 ND2 ASN A 48 -0.376 -13.515 -0.575 1.00 0.00 N flip ATOM 0 H ASN A 48 3.136 -15.925 -1.332 1.00 0.00 H new ATOM 0 HA ASN A 48 0.835 -15.995 -3.113 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.346 -13.795 -1.622 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.023 -13.442 -2.717 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.378 -12.633 -1.087 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.027 -13.658 0.197 1.00 0.00 H new ATOM 790 N THR A 49 3.732 -14.697 -4.106 1.00 0.00 N ATOM 791 CA THR A 49 4.505 -14.236 -5.277 1.00 0.00 C ATOM 792 C THR A 49 5.050 -15.427 -6.082 1.00 0.00 C ATOM 793 O THR A 49 4.940 -15.464 -7.314 1.00 0.00 O ATOM 794 CB THR A 49 5.697 -13.312 -4.849 1.00 0.00 C ATOM 795 OG1 THR A 49 6.678 -14.062 -4.108 1.00 0.00 O ATOM 796 CG2 THR A 49 5.223 -12.117 -3.993 1.00 0.00 C ATOM 0 H THR A 49 4.258 -14.677 -3.232 1.00 0.00 H new ATOM 0 HA THR A 49 3.822 -13.662 -5.903 1.00 0.00 H new ATOM 0 HB THR A 49 6.142 -12.924 -5.766 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.356 -14.209 -3.194 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.081 -11.503 -3.719 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.516 -11.517 -4.566 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.737 -12.486 -3.090 1.00 0.00 H new ATOM 804 N GLY A 50 5.607 -16.410 -5.359 1.00 0.00 N ATOM 805 CA GLY A 50 6.262 -17.572 -5.972 1.00 0.00 C ATOM 806 C GLY A 50 7.765 -17.379 -6.111 1.00 0.00 C ATOM 807 O GLY A 50 8.366 -17.808 -7.104 1.00 0.00 O ATOM 0 H GLY A 50 5.616 -16.421 -4.339 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.066 -18.458 -5.368 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.829 -17.754 -6.955 1.00 0.00 H new ATOM 811 N VAL A 51 8.373 -16.710 -5.112 1.00 0.00 N ATOM 812 CA VAL A 51 9.826 -16.461 -5.085 1.00 0.00 C ATOM 813 C VAL A 51 10.556 -17.653 -4.437 1.00 0.00 C ATOM 814 O VAL A 51 9.999 -18.332 -3.570 1.00 0.00 O ATOM 815 CB VAL A 51 10.164 -15.114 -4.329 1.00 0.00 C ATOM 816 CG1 VAL A 51 9.746 -15.146 -2.841 1.00 0.00 C ATOM 817 CG2 VAL A 51 11.656 -14.721 -4.479 1.00 0.00 C ATOM 0 H VAL A 51 7.875 -16.330 -4.307 1.00 0.00 H new ATOM 0 HA VAL A 51 10.174 -16.355 -6.113 1.00 0.00 H new ATOM 0 HB VAL A 51 9.567 -14.341 -4.813 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.001 -14.196 -2.371 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.671 -15.309 -2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.271 -15.955 -2.333 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.843 -13.790 -3.944 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.284 -15.510 -4.064 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.892 -14.587 -5.535 1.00 0.00 H new ATOM 827 N GLU A 52 11.789 -17.928 -4.903 1.00 0.00 N ATOM 828 CA GLU A 52 12.667 -18.924 -4.285 1.00 0.00 C ATOM 829 C GLU A 52 13.086 -18.454 -2.882 1.00 0.00 C ATOM 830 O GLU A 52 13.504 -17.308 -2.700 1.00 0.00 O ATOM 831 CB GLU A 52 13.918 -19.188 -5.161 1.00 0.00 C ATOM 832 CG GLU A 52 13.681 -20.077 -6.397 1.00 0.00 C ATOM 833 CD GLU A 52 12.934 -19.376 -7.554 1.00 0.00 C ATOM 834 OE1 GLU A 52 13.596 -18.746 -8.410 1.00 0.00 O ATOM 835 OE2 GLU A 52 11.686 -19.433 -7.613 1.00 0.00 O ATOM 0 H GLU A 52 12.198 -17.465 -5.715 1.00 0.00 H new ATOM 0 HA GLU A 52 12.116 -19.860 -4.199 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.317 -18.230 -5.494 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.684 -19.653 -4.541 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.644 -20.431 -6.764 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.112 -20.956 -6.094 1.00 0.00 H new ATOM 842 N ILE A 53 12.954 -19.352 -1.904 1.00 0.00 N ATOM 843 CA ILE A 53 13.274 -19.066 -0.496 1.00 0.00 C ATOM 844 C ILE A 53 14.820 -19.045 -0.300 1.00 0.00 C ATOM 845 O ILE A 53 15.343 -18.281 0.518 1.00 0.00 O ATOM 846 CB ILE A 53 12.526 -20.112 0.441 1.00 0.00 C ATOM 847 CG1 ILE A 53 12.300 -19.571 1.891 1.00 0.00 C ATOM 848 CG2 ILE A 53 13.216 -21.491 0.458 1.00 0.00 C ATOM 849 CD1 ILE A 53 13.505 -19.523 2.801 1.00 0.00 C ATOM 0 H ILE A 53 12.621 -20.303 -2.062 1.00 0.00 H new ATOM 0 HA ILE A 53 12.915 -18.077 -0.211 1.00 0.00 H new ATOM 0 HB ILE A 53 11.541 -20.251 -0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.891 -18.563 1.817 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.539 -20.189 2.368 1.00 0.00 H new ATOM 0 HG21 ILE A 53 12.664 -22.166 1.113 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.235 -21.901 -0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 53 14.237 -21.383 0.825 1.00 0.00 H new ATOM 0 HD11 ILE A 53 13.211 -19.129 3.774 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.909 -20.528 2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 53 14.266 -18.877 2.363 1.00 0.00 H new ATOM 861 N ASN A 54 15.537 -19.846 -1.111 1.00 0.00 N ATOM 862 CA ASN A 54 17.010 -19.982 -1.026 1.00 0.00 C ATOM 863 C ASN A 54 17.740 -18.750 -1.604 1.00 0.00 C ATOM 864 O ASN A 54 18.830 -18.408 -1.130 1.00 0.00 O ATOM 865 CB ASN A 54 17.485 -21.291 -1.725 1.00 0.00 C ATOM 866 CG ASN A 54 17.157 -21.382 -3.222 1.00 0.00 C ATOM 867 OD1 ASN A 54 16.182 -20.817 -3.688 1.00 0.00 O ATOM 868 ND2 ASN A 54 17.962 -22.117 -3.977 1.00 0.00 N ATOM 0 H ASN A 54 15.116 -20.417 -1.843 1.00 0.00 H new ATOM 0 HA ASN A 54 17.270 -20.041 0.031 1.00 0.00 H new ATOM 0 HB2 ASN A 54 18.564 -21.382 -1.598 1.00 0.00 H new ATOM 0 HB3 ASN A 54 17.032 -22.142 -1.217 1.00 0.00 H new ATOM 0 HD21 ASN A 54 17.772 -22.221 -4.974 1.00 0.00 H new ATOM 0 HD22 ASN A 54 18.771 -22.579 -3.561 1.00 0.00 H new ATOM 875 N LYS A 55 17.135 -18.077 -2.622 1.00 0.00 N ATOM 876 CA LYS A 55 17.740 -16.858 -3.218 1.00 0.00 C ATOM 877 C LYS A 55 17.635 -15.654 -2.261 1.00 0.00 C ATOM 878 O LYS A 55 18.373 -14.674 -2.417 1.00 0.00 O ATOM 879 CB LYS A 55 17.107 -16.478 -4.593 1.00 0.00 C ATOM 880 CG LYS A 55 15.683 -15.858 -4.531 1.00 0.00 C ATOM 881 CD LYS A 55 15.247 -15.194 -5.866 1.00 0.00 C ATOM 882 CE LYS A 55 15.220 -16.175 -7.049 1.00 0.00 C ATOM 883 NZ LYS A 55 14.707 -15.551 -8.295 1.00 0.00 N ATOM 0 H LYS A 55 16.246 -18.353 -3.039 1.00 0.00 H new ATOM 0 HA LYS A 55 18.789 -17.101 -3.386 1.00 0.00 H new ATOM 0 HB2 LYS A 55 17.769 -15.772 -5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 55 17.067 -17.373 -5.214 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.966 -16.636 -4.268 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.652 -15.114 -3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.256 -14.758 -5.741 1.00 0.00 H new ATOM 0 HD3 LYS A 55 15.928 -14.375 -6.097 1.00 0.00 H new ATOM 0 HE2 LYS A 55 16.226 -16.555 -7.225 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.596 -17.031 -6.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.709 -16.254 -9.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.736 -15.212 -8.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.316 -14.750 -8.558 1.00 0.00 H new ATOM 897 N LEU A 56 16.702 -15.737 -1.279 1.00 0.00 N ATOM 898 CA LEU A 56 16.476 -14.665 -0.291 1.00 0.00 C ATOM 899 C LEU A 56 17.660 -14.532 0.682 1.00 0.00 C ATOM 900 O LEU A 56 17.803 -13.503 1.325 1.00 0.00 O ATOM 901 CB LEU A 56 15.172 -14.904 0.513 1.00 0.00 C ATOM 902 CG LEU A 56 13.844 -14.968 -0.305 1.00 0.00 C ATOM 903 CD1 LEU A 56 12.629 -15.120 0.632 1.00 0.00 C ATOM 904 CD2 LEU A 56 13.677 -13.745 -1.231 1.00 0.00 C ATOM 0 H LEU A 56 16.092 -16.545 -1.155 1.00 0.00 H new ATOM 0 HA LEU A 56 16.380 -13.736 -0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 56 15.278 -15.839 1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.078 -14.109 1.252 1.00 0.00 H new ATOM 0 HG LEU A 56 13.899 -15.850 -0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.715 -15.162 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.729 -16.038 1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.583 -14.267 1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.740 -13.830 -1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.664 -12.834 -0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 56 14.509 -13.705 -1.935 1.00 0.00 H new ATOM 916 N PHE A 57 18.486 -15.588 0.791 1.00 0.00 N ATOM 917 CA PHE A 57 19.689 -15.573 1.641 1.00 0.00 C ATOM 918 C PHE A 57 20.758 -14.616 1.101 1.00 0.00 C ATOM 919 O PHE A 57 21.042 -14.587 -0.107 1.00 0.00 O ATOM 920 CB PHE A 57 20.287 -16.997 1.811 1.00 0.00 C ATOM 921 CG PHE A 57 19.583 -17.805 2.893 1.00 0.00 C ATOM 922 CD1 PHE A 57 18.437 -18.538 2.612 1.00 0.00 C ATOM 923 CD2 PHE A 57 20.059 -17.791 4.211 1.00 0.00 C ATOM 924 CE1 PHE A 57 17.794 -19.242 3.607 1.00 0.00 C ATOM 925 CE2 PHE A 57 19.409 -18.494 5.205 1.00 0.00 C ATOM 926 CZ PHE A 57 18.278 -19.219 4.902 1.00 0.00 C ATOM 0 H PHE A 57 18.340 -16.468 0.297 1.00 0.00 H new ATOM 0 HA PHE A 57 19.372 -15.212 2.619 1.00 0.00 H new ATOM 0 HB2 PHE A 57 20.219 -17.531 0.863 1.00 0.00 H new ATOM 0 HB3 PHE A 57 21.346 -16.915 2.056 1.00 0.00 H new ATOM 0 HD1 PHE A 57 18.047 -18.556 1.605 1.00 0.00 H new ATOM 0 HD2 PHE A 57 20.945 -17.223 4.452 1.00 0.00 H new ATOM 0 HE1 PHE A 57 16.908 -19.814 3.374 1.00 0.00 H new ATOM 0 HE2 PHE A 57 19.786 -18.476 6.217 1.00 0.00 H new ATOM 0 HZ PHE A 57 17.768 -19.771 5.678 1.00 0.00 H new ATOM 936 N ASN A 58 21.308 -13.827 2.043 1.00 0.00 N ATOM 937 CA ASN A 58 22.556 -13.070 1.899 1.00 0.00 C ATOM 938 C ASN A 58 23.626 -13.975 1.265 1.00 0.00 C ATOM 939 O ASN A 58 23.977 -14.999 1.835 1.00 0.00 O ATOM 940 CB ASN A 58 22.981 -12.581 3.310 1.00 0.00 C ATOM 941 CG ASN A 58 24.363 -11.925 3.399 1.00 0.00 C ATOM 942 OD1 ASN A 58 25.365 -12.581 3.709 1.00 0.00 O ATOM 943 ND2 ASN A 58 24.424 -10.624 3.148 1.00 0.00 N ATOM 0 H ASN A 58 20.876 -13.698 2.958 1.00 0.00 H new ATOM 0 HA ASN A 58 22.426 -12.206 1.248 1.00 0.00 H new ATOM 0 HB2 ASN A 58 22.237 -11.868 3.666 1.00 0.00 H new ATOM 0 HB3 ASN A 58 22.959 -13.432 3.991 1.00 0.00 H new ATOM 0 HD21 ASN A 58 25.317 -10.134 3.208 1.00 0.00 H new ATOM 0 HD22 ASN A 58 23.578 -10.113 2.895 1.00 0.00 H new ATOM 950 N THR A 59 24.073 -13.602 0.065 1.00 0.00 N ATOM 951 CA THR A 59 24.903 -14.456 -0.813 1.00 0.00 C ATOM 952 C THR A 59 26.415 -14.385 -0.409 1.00 0.00 C ATOM 953 O THR A 59 26.759 -13.742 0.590 1.00 0.00 O ATOM 954 CB THR A 59 24.660 -13.984 -2.298 1.00 0.00 C ATOM 955 OG1 THR A 59 23.269 -13.640 -2.456 1.00 0.00 O ATOM 956 CG2 THR A 59 25.006 -15.048 -3.361 1.00 0.00 C ATOM 0 H THR A 59 23.871 -12.687 -0.338 1.00 0.00 H new ATOM 0 HA THR A 59 24.619 -15.503 -0.710 1.00 0.00 H new ATOM 0 HB THR A 59 25.324 -13.135 -2.460 1.00 0.00 H new ATOM 0 HG1 THR A 59 22.951 -13.954 -3.328 1.00 0.00 H new ATOM 0 HG21 THR A 59 24.811 -14.646 -4.355 1.00 0.00 H new ATOM 0 HG22 THR A 59 26.059 -15.316 -3.278 1.00 0.00 H new ATOM 0 HG23 THR A 59 24.392 -15.935 -3.202 1.00 0.00 H new ATOM 964 N HIS A 60 27.296 -15.084 -1.167 1.00 0.00 N ATOM 965 CA HIS A 60 28.777 -15.021 -1.004 1.00 0.00 C ATOM 966 C HIS A 60 29.304 -13.565 -1.120 1.00 0.00 C ATOM 967 O HIS A 60 28.610 -12.691 -1.650 1.00 0.00 O ATOM 968 CB HIS A 60 29.465 -15.920 -2.070 1.00 0.00 C ATOM 969 CG HIS A 60 29.320 -15.413 -3.493 1.00 0.00 C ATOM 970 ND1 HIS A 60 28.212 -15.663 -4.278 1.00 0.00 N ATOM 971 CD2 HIS A 60 30.124 -14.607 -4.238 1.00 0.00 C ATOM 972 CE1 HIS A 60 28.340 -15.035 -5.435 1.00 0.00 C ATOM 973 NE2 HIS A 60 29.487 -14.390 -5.432 1.00 0.00 N ATOM 0 H HIS A 60 27.001 -15.712 -1.914 1.00 0.00 H new ATOM 0 HA HIS A 60 29.020 -15.385 -0.006 1.00 0.00 H new ATOM 0 HB2 HIS A 60 30.525 -16.002 -1.831 1.00 0.00 H new ATOM 0 HB3 HIS A 60 29.046 -16.924 -2.009 1.00 0.00 H new ATOM 0 HD2 HIS A 60 31.085 -14.212 -3.943 1.00 0.00 H new ATOM 0 HE1 HIS A 60 27.625 -15.049 -6.244 1.00 0.00 H new ATOM 0 HE2 HIS A 60 29.845 -13.819 -6.197 1.00 0.00 H new ATOM 982 N GLY A 61 30.556 -13.339 -0.677 1.00 0.00 N ATOM 983 CA GLY A 61 31.113 -11.976 -0.570 1.00 0.00 C ATOM 984 C GLY A 61 30.512 -11.228 0.619 1.00 0.00 C ATOM 985 O GLY A 61 30.482 -9.991 0.657 1.00 0.00 O ATOM 0 H GLY A 61 31.198 -14.078 -0.389 1.00 0.00 H new ATOM 0 HA2 GLY A 61 32.196 -12.030 -0.460 1.00 0.00 H new ATOM 0 HA3 GLY A 61 30.913 -11.425 -1.489 1.00 0.00 H new ATOM 989 N ALA A 62 30.062 -12.028 1.601 1.00 0.00 N ATOM 990 CA ALA A 62 29.316 -11.582 2.780 1.00 0.00 C ATOM 991 C ALA A 62 29.327 -12.716 3.844 1.00 0.00 C ATOM 992 O ALA A 62 30.156 -13.634 3.757 1.00 0.00 O ATOM 993 CB ALA A 62 27.890 -11.186 2.355 1.00 0.00 C ATOM 0 H ALA A 62 30.215 -13.036 1.591 1.00 0.00 H new ATOM 0 HA ALA A 62 29.780 -10.703 3.229 1.00 0.00 H new ATOM 0 HB1 ALA A 62 27.329 -10.853 3.228 1.00 0.00 H new ATOM 0 HB2 ALA A 62 27.939 -10.378 1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 62 27.391 -12.047 1.910 1.00 0.00 H new ATOM 999 N LYS A 63 28.401 -12.674 4.823 1.00 0.00 N ATOM 1000 CA LYS A 63 28.429 -13.585 5.995 1.00 0.00 C ATOM 1001 C LYS A 63 28.153 -15.066 5.638 1.00 0.00 C ATOM 1002 O LYS A 63 28.575 -15.942 6.380 1.00 0.00 O ATOM 1003 CB LYS A 63 27.405 -13.136 7.055 1.00 0.00 C ATOM 1004 CG LYS A 63 27.619 -11.713 7.604 1.00 0.00 C ATOM 1005 CD LYS A 63 26.528 -11.318 8.626 1.00 0.00 C ATOM 1006 CE LYS A 63 25.112 -11.410 8.030 1.00 0.00 C ATOM 1007 NZ LYS A 63 24.967 -10.562 6.818 1.00 0.00 N ATOM 0 H LYS A 63 27.620 -12.018 4.829 1.00 0.00 H new ATOM 0 HA LYS A 63 29.445 -13.524 6.386 1.00 0.00 H new ATOM 0 HB2 LYS A 63 26.406 -13.196 6.622 1.00 0.00 H new ATOM 0 HB3 LYS A 63 27.434 -13.839 7.888 1.00 0.00 H new ATOM 0 HG2 LYS A 63 28.599 -11.650 8.077 1.00 0.00 H new ATOM 0 HG3 LYS A 63 27.617 -11.001 6.778 1.00 0.00 H new ATOM 0 HD2 LYS A 63 26.596 -11.969 9.498 1.00 0.00 H new ATOM 0 HD3 LYS A 63 26.709 -10.301 8.973 1.00 0.00 H new ATOM 0 HE2 LYS A 63 24.891 -12.447 7.777 1.00 0.00 H new ATOM 0 HE3 LYS A 63 24.382 -11.102 8.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 23.982 -10.598 6.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 25.219 -9.580 7.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 25.598 -10.914 6.070 1.00 0.00 H new ATOM 1021 N TYR A 64 27.448 -15.316 4.516 1.00 0.00 N ATOM 1022 CA TYR A 64 26.928 -16.664 4.136 1.00 0.00 C ATOM 1023 C TYR A 64 27.965 -17.804 4.290 1.00 0.00 C ATOM 1024 O TYR A 64 27.661 -18.854 4.866 1.00 0.00 O ATOM 1025 CB TYR A 64 26.425 -16.638 2.676 1.00 0.00 C ATOM 1026 CG TYR A 64 25.625 -17.887 2.264 1.00 0.00 C ATOM 1027 CD1 TYR A 64 24.345 -18.117 2.780 1.00 0.00 C ATOM 1028 CD2 TYR A 64 26.144 -18.830 1.373 1.00 0.00 C ATOM 1029 CE1 TYR A 64 23.626 -19.237 2.425 1.00 0.00 C ATOM 1030 CE2 TYR A 64 25.423 -19.950 1.017 1.00 0.00 C ATOM 1031 CZ TYR A 64 24.167 -20.149 1.543 1.00 0.00 C ATOM 1032 OH TYR A 64 23.445 -21.268 1.186 1.00 0.00 O ATOM 0 H TYR A 64 27.217 -14.590 3.838 1.00 0.00 H new ATOM 0 HA TYR A 64 26.116 -16.879 4.830 1.00 0.00 H new ATOM 0 HB2 TYR A 64 25.800 -15.756 2.534 1.00 0.00 H new ATOM 0 HB3 TYR A 64 27.281 -16.532 2.010 1.00 0.00 H new ATOM 0 HD1 TYR A 64 23.914 -17.405 3.468 1.00 0.00 H new ATOM 0 HD2 TYR A 64 27.128 -18.679 0.955 1.00 0.00 H new ATOM 0 HE1 TYR A 64 22.641 -19.401 2.836 1.00 0.00 H new ATOM 0 HE2 TYR A 64 25.842 -20.668 0.328 1.00 0.00 H new ATOM 0 HH TYR A 64 23.968 -21.808 0.557 1.00 0.00 H new ATOM 1042 N ARG A 65 29.187 -17.574 3.774 1.00 0.00 N ATOM 1043 CA ARG A 65 30.250 -18.607 3.736 1.00 0.00 C ATOM 1044 C ARG A 65 31.126 -18.540 4.998 1.00 0.00 C ATOM 1045 O ARG A 65 31.750 -19.539 5.374 1.00 0.00 O ATOM 1046 CB ARG A 65 31.130 -18.486 2.459 1.00 0.00 C ATOM 1047 CG ARG A 65 31.965 -17.189 2.348 1.00 0.00 C ATOM 1048 CD ARG A 65 33.022 -17.261 1.222 1.00 0.00 C ATOM 1049 NE ARG A 65 33.853 -16.044 1.158 1.00 0.00 N ATOM 1050 CZ ARG A 65 35.089 -15.898 1.677 1.00 0.00 C ATOM 1051 NH1 ARG A 65 35.673 -16.888 2.350 1.00 0.00 N ATOM 1052 NH2 ARG A 65 35.731 -14.753 1.520 1.00 0.00 N ATOM 0 H ARG A 65 29.468 -16.678 3.375 1.00 0.00 H new ATOM 0 HA ARG A 65 29.754 -19.577 3.706 1.00 0.00 H new ATOM 0 HB2 ARG A 65 31.808 -19.339 2.424 1.00 0.00 H new ATOM 0 HB3 ARG A 65 30.483 -18.557 1.585 1.00 0.00 H new ATOM 0 HG2 ARG A 65 31.299 -16.346 2.163 1.00 0.00 H new ATOM 0 HG3 ARG A 65 32.464 -16.999 3.299 1.00 0.00 H new ATOM 0 HD2 ARG A 65 33.663 -18.128 1.383 1.00 0.00 H new ATOM 0 HD3 ARG A 65 32.521 -17.408 0.265 1.00 0.00 H new ATOM 0 HE ARG A 65 33.456 -15.238 0.676 1.00 0.00 H new ATOM 0 HH11 ARG A 65 35.185 -17.774 2.480 1.00 0.00 H new ATOM 0 HH12 ARG A 65 36.609 -16.760 2.736 1.00 0.00 H new ATOM 0 HH21 ARG A 65 35.291 -13.988 1.009 1.00 0.00 H new ATOM 0 HH22 ARG A 65 36.666 -14.635 1.910 1.00 0.00 H new ATOM 1066 N GLU A 66 31.152 -17.352 5.642 1.00 0.00 N ATOM 1067 CA GLU A 66 31.821 -17.140 6.944 1.00 0.00 C ATOM 1068 C GLU A 66 31.190 -18.072 7.998 1.00 0.00 C ATOM 1069 O GLU A 66 31.886 -18.733 8.773 1.00 0.00 O ATOM 1070 CB GLU A 66 31.662 -15.654 7.378 1.00 0.00 C ATOM 1071 CG GLU A 66 32.314 -15.284 8.729 1.00 0.00 C ATOM 1072 CD GLU A 66 33.849 -15.234 8.685 1.00 0.00 C ATOM 1073 OE1 GLU A 66 34.405 -14.163 8.358 1.00 0.00 O ATOM 1074 OE2 GLU A 66 34.509 -16.258 8.970 1.00 0.00 O ATOM 0 H GLU A 66 30.708 -16.511 5.272 1.00 0.00 H new ATOM 0 HA GLU A 66 32.883 -17.368 6.853 1.00 0.00 H new ATOM 0 HB2 GLU A 66 32.089 -15.019 6.602 1.00 0.00 H new ATOM 0 HB3 GLU A 66 30.599 -15.421 7.431 1.00 0.00 H new ATOM 0 HG2 GLU A 66 31.937 -14.313 9.049 1.00 0.00 H new ATOM 0 HG3 GLU A 66 32.005 -16.010 9.481 1.00 0.00 H new ATOM 1081 N LEU A 67 29.849 -18.106 7.976 1.00 0.00 N ATOM 1082 CA LEU A 67 29.024 -18.982 8.815 1.00 0.00 C ATOM 1083 C LEU A 67 29.016 -20.405 8.238 1.00 0.00 C ATOM 1084 O LEU A 67 28.996 -21.392 8.983 1.00 0.00 O ATOM 1085 CB LEU A 67 27.572 -18.427 8.861 1.00 0.00 C ATOM 1086 CG LEU A 67 27.441 -16.905 9.194 1.00 0.00 C ATOM 1087 CD1 LEU A 67 25.966 -16.445 9.191 1.00 0.00 C ATOM 1088 CD2 LEU A 67 28.136 -16.557 10.527 1.00 0.00 C ATOM 0 H LEU A 67 29.297 -17.510 7.359 1.00 0.00 H new ATOM 0 HA LEU A 67 29.437 -19.012 9.823 1.00 0.00 H new ATOM 0 HB2 LEU A 67 27.101 -18.611 7.895 1.00 0.00 H new ATOM 0 HB3 LEU A 67 27.009 -18.993 9.603 1.00 0.00 H new ATOM 0 HG LEU A 67 27.953 -16.357 8.403 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.916 -15.382 9.427 1.00 0.00 H new ATOM 0 HD12 LEU A 67 25.533 -16.619 8.206 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.407 -17.009 9.938 1.00 0.00 H new ATOM 0 HD21 LEU A 67 28.026 -15.491 10.728 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.679 -17.128 11.335 1.00 0.00 H new ATOM 0 HD23 LEU A 67 29.195 -16.806 10.461 1.00 0.00 H new ATOM 1100 N ASP A 68 29.059 -20.461 6.884 1.00 0.00 N ATOM 1101 CA ASP A 68 28.853 -21.681 6.086 1.00 0.00 C ATOM 1102 C ASP A 68 27.454 -22.243 6.387 1.00 0.00 C ATOM 1103 O ASP A 68 27.281 -23.390 6.832 1.00 0.00 O ATOM 1104 CB ASP A 68 30.012 -22.719 6.270 1.00 0.00 C ATOM 1105 CG ASP A 68 29.878 -24.002 5.416 1.00 0.00 C ATOM 1106 OD1 ASP A 68 29.473 -23.913 4.231 1.00 0.00 O ATOM 1107 OD2 ASP A 68 30.198 -25.103 5.925 1.00 0.00 O ATOM 0 H ASP A 68 29.242 -19.638 6.310 1.00 0.00 H new ATOM 0 HA ASP A 68 28.891 -21.434 5.025 1.00 0.00 H new ATOM 0 HB2 ASP A 68 30.957 -22.234 6.025 1.00 0.00 H new ATOM 0 HB3 ASP A 68 30.062 -23.003 7.321 1.00 0.00 H new ATOM 1112 N LEU A 69 26.443 -21.367 6.184 1.00 0.00 N ATOM 1113 CA LEU A 69 25.033 -21.738 6.330 1.00 0.00 C ATOM 1114 C LEU A 69 24.655 -22.822 5.322 1.00 0.00 C ATOM 1115 O LEU A 69 23.802 -23.633 5.614 1.00 0.00 O ATOM 1116 CB LEU A 69 24.084 -20.526 6.151 1.00 0.00 C ATOM 1117 CG LEU A 69 24.137 -19.417 7.244 1.00 0.00 C ATOM 1118 CD1 LEU A 69 23.086 -18.325 6.949 1.00 0.00 C ATOM 1119 CD2 LEU A 69 23.944 -20.007 8.665 1.00 0.00 C ATOM 0 H LEU A 69 26.589 -20.393 5.917 1.00 0.00 H new ATOM 0 HA LEU A 69 24.914 -22.116 7.345 1.00 0.00 H new ATOM 0 HB2 LEU A 69 24.303 -20.064 5.189 1.00 0.00 H new ATOM 0 HB3 LEU A 69 23.062 -20.901 6.099 1.00 0.00 H new ATOM 0 HG LEU A 69 25.127 -18.963 7.216 1.00 0.00 H new ATOM 0 HD11 LEU A 69 23.134 -17.556 7.720 1.00 0.00 H new ATOM 0 HD12 LEU A 69 23.290 -17.877 5.977 1.00 0.00 H new ATOM 0 HD13 LEU A 69 22.091 -18.770 6.941 1.00 0.00 H new ATOM 0 HD21 LEU A 69 23.987 -19.204 9.401 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.975 -20.503 8.725 1.00 0.00 H new ATOM 0 HD23 LEU A 69 24.734 -20.729 8.869 1.00 0.00 H new ATOM 1131 N LYS A 70 25.309 -22.819 4.143 1.00 0.00 N ATOM 1132 CA LYS A 70 25.060 -23.796 3.064 1.00 0.00 C ATOM 1133 C LYS A 70 25.025 -25.255 3.596 1.00 0.00 C ATOM 1134 O LYS A 70 24.137 -26.039 3.215 1.00 0.00 O ATOM 1135 CB LYS A 70 26.145 -23.641 1.964 1.00 0.00 C ATOM 1136 CG LYS A 70 26.047 -24.656 0.804 1.00 0.00 C ATOM 1137 CD LYS A 70 24.717 -24.563 0.019 1.00 0.00 C ATOM 1138 CE LYS A 70 24.584 -25.687 -1.016 1.00 0.00 C ATOM 1139 NZ LYS A 70 24.589 -27.035 -0.374 1.00 0.00 N ATOM 0 H LYS A 70 26.029 -22.135 3.911 1.00 0.00 H new ATOM 0 HA LYS A 70 24.077 -23.589 2.640 1.00 0.00 H new ATOM 0 HB2 LYS A 70 26.082 -22.634 1.552 1.00 0.00 H new ATOM 0 HB3 LYS A 70 27.127 -23.735 2.427 1.00 0.00 H new ATOM 0 HG2 LYS A 70 26.878 -24.494 0.117 1.00 0.00 H new ATOM 0 HG3 LYS A 70 26.155 -25.665 1.203 1.00 0.00 H new ATOM 0 HD2 LYS A 70 23.880 -24.610 0.716 1.00 0.00 H new ATOM 0 HD3 LYS A 70 24.659 -23.598 -0.484 1.00 0.00 H new ATOM 0 HE2 LYS A 70 23.660 -25.556 -1.578 1.00 0.00 H new ATOM 0 HE3 LYS A 70 25.404 -25.622 -1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 25.444 -27.553 -0.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 24.580 -26.927 0.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 23.746 -27.565 -0.674 1.00 0.00 H new ATOM 1153 N ASN A 71 25.966 -25.574 4.509 1.00 0.00 N ATOM 1154 CA ASN A 71 26.090 -26.917 5.110 1.00 0.00 C ATOM 1155 C ASN A 71 24.823 -27.303 5.907 1.00 0.00 C ATOM 1156 O ASN A 71 24.359 -28.447 5.822 1.00 0.00 O ATOM 1157 CB ASN A 71 27.338 -26.997 6.015 1.00 0.00 C ATOM 1158 CG ASN A 71 27.594 -28.402 6.585 1.00 0.00 C ATOM 1159 OD1 ASN A 71 27.147 -28.741 7.685 1.00 0.00 O ATOM 1160 ND2 ASN A 71 28.307 -29.236 5.833 1.00 0.00 N ATOM 0 H ASN A 71 26.660 -24.908 4.849 1.00 0.00 H new ATOM 0 HA ASN A 71 26.202 -27.631 4.294 1.00 0.00 H new ATOM 0 HB2 ASN A 71 28.211 -26.680 5.445 1.00 0.00 H new ATOM 0 HB3 ASN A 71 27.224 -26.294 6.840 1.00 0.00 H new ATOM 0 HD21 ASN A 71 28.497 -30.183 6.161 1.00 0.00 H new ATOM 0 HD22 ASN A 71 28.664 -28.929 4.928 1.00 0.00 H new ATOM 1167 N LYS A 72 24.265 -26.357 6.691 1.00 0.00 N ATOM 1168 CA LYS A 72 23.016 -26.619 7.435 1.00 0.00 C ATOM 1169 C LYS A 72 21.805 -26.549 6.482 1.00 0.00 C ATOM 1170 O LYS A 72 20.902 -27.355 6.610 1.00 0.00 O ATOM 1171 CB LYS A 72 22.836 -25.670 8.667 1.00 0.00 C ATOM 1172 CG LYS A 72 22.522 -24.195 8.362 1.00 0.00 C ATOM 1173 CD LYS A 72 22.428 -23.338 9.650 1.00 0.00 C ATOM 1174 CE LYS A 72 21.205 -23.675 10.526 1.00 0.00 C ATOM 1175 NZ LYS A 72 21.221 -22.949 11.823 1.00 0.00 N ATOM 0 H LYS A 72 24.651 -25.422 6.824 1.00 0.00 H new ATOM 0 HA LYS A 72 23.082 -27.628 7.842 1.00 0.00 H new ATOM 0 HB2 LYS A 72 22.034 -26.067 9.288 1.00 0.00 H new ATOM 0 HB3 LYS A 72 23.748 -25.708 9.262 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.296 -23.787 7.712 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.581 -24.131 7.816 1.00 0.00 H new ATOM 0 HD2 LYS A 72 23.335 -23.479 10.237 1.00 0.00 H new ATOM 0 HD3 LYS A 72 22.388 -22.284 9.374 1.00 0.00 H new ATOM 0 HE2 LYS A 72 20.293 -23.425 9.984 1.00 0.00 H new ATOM 0 HE3 LYS A 72 21.180 -24.748 10.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 20.267 -22.958 12.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 21.886 -23.414 12.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 21.521 -21.965 11.667 1.00 0.00 H new ATOM 1189 N LEU A 73 21.844 -25.648 5.469 1.00 0.00 N ATOM 1190 CA LEU A 73 20.679 -25.352 4.587 1.00 0.00 C ATOM 1191 C LEU A 73 20.321 -26.539 3.682 1.00 0.00 C ATOM 1192 O LEU A 73 19.154 -26.720 3.319 1.00 0.00 O ATOM 1193 CB LEU A 73 20.909 -24.074 3.724 1.00 0.00 C ATOM 1194 CG LEU A 73 21.029 -22.716 4.493 1.00 0.00 C ATOM 1195 CD1 LEU A 73 21.083 -21.520 3.523 1.00 0.00 C ATOM 1196 CD2 LEU A 73 19.904 -22.540 5.525 1.00 0.00 C ATOM 0 H LEU A 73 22.677 -25.107 5.238 1.00 0.00 H new ATOM 0 HA LEU A 73 19.837 -25.168 5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 73 21.819 -24.216 3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 73 20.086 -23.991 3.014 1.00 0.00 H new ATOM 0 HG LEU A 73 21.971 -22.744 5.040 1.00 0.00 H new ATOM 0 HD11 LEU A 73 21.166 -20.594 4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.948 -21.622 2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.173 -21.497 2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.025 -21.585 6.036 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.939 -22.561 5.018 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.949 -23.349 6.254 1.00 0.00 H new ATOM 1208 N GLN A 74 21.342 -27.332 3.327 1.00 0.00 N ATOM 1209 CA GLN A 74 21.183 -28.521 2.470 1.00 0.00 C ATOM 1210 C GLN A 74 20.610 -29.732 3.245 1.00 0.00 C ATOM 1211 O GLN A 74 20.265 -30.749 2.626 1.00 0.00 O ATOM 1212 CB GLN A 74 22.540 -28.872 1.808 1.00 0.00 C ATOM 1213 CG GLN A 74 23.665 -29.237 2.787 1.00 0.00 C ATOM 1214 CD GLN A 74 25.009 -29.463 2.096 1.00 0.00 C ATOM 1215 OE1 GLN A 74 25.779 -28.521 1.897 1.00 0.00 O ATOM 1216 NE2 GLN A 74 25.294 -30.701 1.720 1.00 0.00 N ATOM 0 H GLN A 74 22.304 -27.169 3.625 1.00 0.00 H new ATOM 0 HA GLN A 74 20.456 -28.281 1.694 1.00 0.00 H new ATOM 0 HB2 GLN A 74 22.388 -29.708 1.125 1.00 0.00 H new ATOM 0 HB3 GLN A 74 22.864 -28.023 1.206 1.00 0.00 H new ATOM 0 HG2 GLN A 74 23.771 -28.440 3.523 1.00 0.00 H new ATOM 0 HG3 GLN A 74 23.387 -30.139 3.332 1.00 0.00 H new ATOM 0 HE21 GLN A 74 24.631 -31.455 1.902 1.00 0.00 H new ATOM 0 HE22 GLN A 74 26.176 -30.900 1.248 1.00 0.00 H new ATOM 1225 N THR A 75 20.500 -29.628 4.592 1.00 0.00 N ATOM 1226 CA THR A 75 20.008 -30.741 5.437 1.00 0.00 C ATOM 1227 C THR A 75 18.773 -30.350 6.289 1.00 0.00 C ATOM 1228 O THR A 75 18.010 -31.235 6.689 1.00 0.00 O ATOM 1229 CB THR A 75 21.159 -31.324 6.347 1.00 0.00 C ATOM 1230 OG1 THR A 75 20.739 -32.542 7.003 1.00 0.00 O ATOM 1231 CG2 THR A 75 21.653 -30.329 7.411 1.00 0.00 C ATOM 0 H THR A 75 20.745 -28.787 5.114 1.00 0.00 H new ATOM 0 HA THR A 75 19.682 -31.523 4.752 1.00 0.00 H new ATOM 0 HB THR A 75 21.989 -31.530 5.671 1.00 0.00 H new ATOM 0 HG1 THR A 75 21.470 -32.883 7.559 1.00 0.00 H new ATOM 0 HG21 THR A 75 22.443 -30.791 8.002 1.00 0.00 H new ATOM 0 HG22 THR A 75 22.041 -29.436 6.922 1.00 0.00 H new ATOM 0 HG23 THR A 75 20.825 -30.054 8.064 1.00 0.00 H new ATOM 1239 N LEU A 76 18.554 -29.037 6.564 1.00 0.00 N ATOM 1240 CA LEU A 76 17.391 -28.586 7.380 1.00 0.00 C ATOM 1241 C LEU A 76 16.090 -28.510 6.552 1.00 0.00 C ATOM 1242 O LEU A 76 16.071 -28.830 5.357 1.00 0.00 O ATOM 1243 CB LEU A 76 17.682 -27.233 8.131 1.00 0.00 C ATOM 1244 CG LEU A 76 18.263 -26.007 7.331 1.00 0.00 C ATOM 1245 CD1 LEU A 76 17.367 -25.503 6.189 1.00 0.00 C ATOM 1246 CD2 LEU A 76 18.620 -24.848 8.282 1.00 0.00 C ATOM 0 H LEU A 76 19.157 -28.281 6.239 1.00 0.00 H new ATOM 0 HA LEU A 76 17.237 -29.348 8.144 1.00 0.00 H new ATOM 0 HB2 LEU A 76 16.749 -26.909 8.592 1.00 0.00 H new ATOM 0 HB3 LEU A 76 18.378 -27.453 8.941 1.00 0.00 H new ATOM 0 HG LEU A 76 19.166 -26.385 6.852 1.00 0.00 H new ATOM 0 HD11 LEU A 76 17.847 -24.658 5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 76 17.212 -26.305 5.467 1.00 0.00 H new ATOM 0 HD13 LEU A 76 16.405 -25.188 6.593 1.00 0.00 H new ATOM 0 HD21 LEU A 76 19.019 -24.014 7.705 1.00 0.00 H new ATOM 0 HD22 LEU A 76 17.725 -24.526 8.815 1.00 0.00 H new ATOM 0 HD23 LEU A 76 19.369 -25.184 9.000 1.00 0.00 H new ATOM 1258 N SER A 77 15.005 -28.089 7.219 1.00 0.00 N ATOM 1259 CA SER A 77 13.708 -27.804 6.581 1.00 0.00 C ATOM 1260 C SER A 77 13.723 -26.385 5.982 1.00 0.00 C ATOM 1261 O SER A 77 14.348 -25.490 6.549 1.00 0.00 O ATOM 1262 CB SER A 77 12.591 -27.909 7.648 1.00 0.00 C ATOM 1263 OG SER A 77 12.651 -29.149 8.332 1.00 0.00 O ATOM 0 H SER A 77 15.002 -27.935 8.227 1.00 0.00 H new ATOM 0 HA SER A 77 13.524 -28.523 5.782 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.689 -27.091 8.362 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.617 -27.801 7.171 1.00 0.00 H new ATOM 0 HG SER A 77 11.936 -29.188 9.001 1.00 0.00 H new ATOM 1269 N ASP A 78 13.016 -26.163 4.855 1.00 0.00 N ATOM 1270 CA ASP A 78 12.870 -24.807 4.263 1.00 0.00 C ATOM 1271 C ASP A 78 12.173 -23.836 5.241 1.00 0.00 C ATOM 1272 O ASP A 78 12.259 -22.617 5.076 1.00 0.00 O ATOM 1273 CB ASP A 78 12.134 -24.861 2.902 1.00 0.00 C ATOM 1274 CG ASP A 78 12.956 -25.583 1.817 1.00 0.00 C ATOM 1275 OD1 ASP A 78 13.965 -25.009 1.345 1.00 0.00 O ATOM 1276 OD2 ASP A 78 12.632 -26.741 1.470 1.00 0.00 O ATOM 0 H ASP A 78 12.537 -26.898 4.335 1.00 0.00 H new ATOM 0 HA ASP A 78 13.873 -24.422 4.079 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.179 -25.370 3.029 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.913 -23.846 2.571 1.00 0.00 H new ATOM 1281 N ASP A 79 11.482 -24.400 6.253 1.00 0.00 N ATOM 1282 CA ASP A 79 10.957 -23.640 7.399 1.00 0.00 C ATOM 1283 C ASP A 79 12.101 -23.038 8.244 1.00 0.00 C ATOM 1284 O ASP A 79 12.042 -21.875 8.635 1.00 0.00 O ATOM 1285 CB ASP A 79 10.071 -24.542 8.278 1.00 0.00 C ATOM 1286 CG ASP A 79 9.489 -23.802 9.498 1.00 0.00 C ATOM 1287 OD1 ASP A 79 8.670 -22.869 9.304 1.00 0.00 O ATOM 1288 OD2 ASP A 79 9.840 -24.142 10.649 1.00 0.00 O ATOM 0 H ASP A 79 11.274 -25.398 6.296 1.00 0.00 H new ATOM 0 HA ASP A 79 10.356 -22.819 7.008 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.254 -24.939 7.676 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.657 -25.395 8.622 1.00 0.00 H new ATOM 1293 N GLU A 80 13.136 -23.849 8.518 1.00 0.00 N ATOM 1294 CA GLU A 80 14.329 -23.418 9.285 1.00 0.00 C ATOM 1295 C GLU A 80 15.141 -22.355 8.514 1.00 0.00 C ATOM 1296 O GLU A 80 15.795 -21.494 9.130 1.00 0.00 O ATOM 1297 CB GLU A 80 15.194 -24.643 9.647 1.00 0.00 C ATOM 1298 CG GLU A 80 14.475 -25.676 10.536 1.00 0.00 C ATOM 1299 CD GLU A 80 15.337 -26.903 10.857 1.00 0.00 C ATOM 1300 OE1 GLU A 80 16.298 -26.775 11.650 1.00 0.00 O ATOM 1301 OE2 GLU A 80 15.075 -27.998 10.308 1.00 0.00 O ATOM 0 H GLU A 80 13.175 -24.823 8.217 1.00 0.00 H new ATOM 0 HA GLU A 80 13.995 -22.949 10.211 1.00 0.00 H new ATOM 0 HB2 GLU A 80 15.517 -25.132 8.728 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.094 -24.301 10.159 1.00 0.00 H new ATOM 0 HG2 GLU A 80 14.175 -25.197 11.468 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.562 -26.002 10.037 1.00 0.00 H new ATOM 1308 N LYS A 81 15.074 -22.412 7.164 1.00 0.00 N ATOM 1309 CA LYS A 81 15.603 -21.342 6.292 1.00 0.00 C ATOM 1310 C LYS A 81 14.900 -20.003 6.619 1.00 0.00 C ATOM 1311 O LYS A 81 15.558 -18.976 6.834 1.00 0.00 O ATOM 1312 CB LYS A 81 15.402 -21.665 4.784 1.00 0.00 C ATOM 1313 CG LYS A 81 16.307 -22.762 4.185 1.00 0.00 C ATOM 1314 CD LYS A 81 16.269 -22.767 2.633 1.00 0.00 C ATOM 1315 CE LYS A 81 17.250 -23.769 2.002 1.00 0.00 C ATOM 1316 NZ LYS A 81 16.921 -25.174 2.349 1.00 0.00 N ATOM 0 H LYS A 81 14.657 -23.191 6.655 1.00 0.00 H new ATOM 0 HA LYS A 81 16.673 -21.267 6.483 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.364 -21.961 4.635 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.557 -20.748 4.216 1.00 0.00 H new ATOM 0 HG2 LYS A 81 17.332 -22.609 4.522 1.00 0.00 H new ATOM 0 HG3 LYS A 81 15.991 -23.736 4.558 1.00 0.00 H new ATOM 0 HD2 LYS A 81 15.257 -23.003 2.302 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.499 -21.766 2.268 1.00 0.00 H new ATOM 0 HE2 LYS A 81 17.238 -23.652 0.918 1.00 0.00 H new ATOM 0 HE3 LYS A 81 18.263 -23.542 2.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 17.757 -25.635 2.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 16.143 -25.188 3.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 16.632 -25.685 1.491 1.00 0.00 H new ATOM 1330 N LEU A 82 13.554 -20.059 6.669 1.00 0.00 N ATOM 1331 CA LEU A 82 12.690 -18.905 7.004 1.00 0.00 C ATOM 1332 C LEU A 82 13.035 -18.336 8.388 1.00 0.00 C ATOM 1333 O LEU A 82 13.062 -17.121 8.566 1.00 0.00 O ATOM 1334 CB LEU A 82 11.204 -19.338 6.982 1.00 0.00 C ATOM 1335 CG LEU A 82 10.647 -19.766 5.590 1.00 0.00 C ATOM 1336 CD1 LEU A 82 9.381 -20.624 5.720 1.00 0.00 C ATOM 1337 CD2 LEU A 82 10.378 -18.536 4.715 1.00 0.00 C ATOM 0 H LEU A 82 13.030 -20.913 6.477 1.00 0.00 H new ATOM 0 HA LEU A 82 12.861 -18.128 6.259 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.076 -20.169 7.676 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.598 -18.513 7.358 1.00 0.00 H new ATOM 0 HG LEU A 82 11.409 -20.379 5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.026 -20.901 4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.609 -21.526 6.288 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.608 -20.056 6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.990 -18.855 3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.647 -17.894 5.205 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.306 -17.983 4.569 1.00 0.00 H new ATOM 1349 N GLU A 83 13.299 -19.242 9.355 1.00 0.00 N ATOM 1350 CA GLU A 83 13.639 -18.866 10.741 1.00 0.00 C ATOM 1351 C GLU A 83 14.934 -18.032 10.787 1.00 0.00 C ATOM 1352 O GLU A 83 14.984 -17.013 11.472 1.00 0.00 O ATOM 1353 CB GLU A 83 13.772 -20.118 11.649 1.00 0.00 C ATOM 1354 CG GLU A 83 12.514 -21.006 11.699 1.00 0.00 C ATOM 1355 CD GLU A 83 12.578 -22.084 12.791 1.00 0.00 C ATOM 1356 OE1 GLU A 83 13.403 -23.017 12.676 1.00 0.00 O ATOM 1357 OE2 GLU A 83 11.813 -21.995 13.780 1.00 0.00 O ATOM 0 H GLU A 83 13.282 -20.249 9.196 1.00 0.00 H new ATOM 0 HA GLU A 83 12.821 -18.255 11.122 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.612 -20.718 11.298 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.013 -19.793 12.661 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.640 -20.377 11.869 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.378 -21.487 10.730 1.00 0.00 H new ATOM 1364 N LEU A 84 15.960 -18.472 10.029 1.00 0.00 N ATOM 1365 CA LEU A 84 17.248 -17.744 9.908 1.00 0.00 C ATOM 1366 C LEU A 84 17.039 -16.337 9.308 1.00 0.00 C ATOM 1367 O LEU A 84 17.568 -15.337 9.827 1.00 0.00 O ATOM 1368 CB LEU A 84 18.235 -18.560 9.037 1.00 0.00 C ATOM 1369 CG LEU A 84 18.667 -19.937 9.632 1.00 0.00 C ATOM 1370 CD1 LEU A 84 19.439 -20.777 8.601 1.00 0.00 C ATOM 1371 CD2 LEU A 84 19.492 -19.756 10.931 1.00 0.00 C ATOM 0 H LEU A 84 15.924 -19.335 9.486 1.00 0.00 H new ATOM 0 HA LEU A 84 17.668 -17.622 10.906 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.778 -18.731 8.062 1.00 0.00 H new ATOM 0 HB3 LEU A 84 19.129 -17.959 8.869 1.00 0.00 H new ATOM 0 HG LEU A 84 17.757 -20.480 9.888 1.00 0.00 H new ATOM 0 HD11 LEU A 84 19.725 -21.729 9.048 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.806 -20.959 7.733 1.00 0.00 H new ATOM 0 HD13 LEU A 84 20.335 -20.239 8.290 1.00 0.00 H new ATOM 0 HD21 LEU A 84 19.777 -20.733 11.320 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.389 -19.176 10.714 1.00 0.00 H new ATOM 0 HD23 LEU A 84 18.891 -19.231 11.674 1.00 0.00 H new ATOM 1383 N LEU A 85 16.233 -16.282 8.229 1.00 0.00 N ATOM 1384 CA LEU A 85 15.890 -15.021 7.544 1.00 0.00 C ATOM 1385 C LEU A 85 15.147 -14.053 8.495 1.00 0.00 C ATOM 1386 O LEU A 85 15.352 -12.845 8.448 1.00 0.00 O ATOM 1387 CB LEU A 85 14.998 -15.296 6.301 1.00 0.00 C ATOM 1388 CG LEU A 85 15.629 -16.140 5.148 1.00 0.00 C ATOM 1389 CD1 LEU A 85 14.625 -16.334 3.996 1.00 0.00 C ATOM 1390 CD2 LEU A 85 16.943 -15.516 4.637 1.00 0.00 C ATOM 0 H LEU A 85 15.804 -17.107 7.810 1.00 0.00 H new ATOM 0 HA LEU A 85 16.825 -14.559 7.226 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.095 -15.805 6.638 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.688 -14.336 5.888 1.00 0.00 H new ATOM 0 HG LEU A 85 15.873 -17.121 5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 85 15.088 -16.925 3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.741 -16.853 4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 85 14.334 -15.361 3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 85 17.351 -16.132 3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 85 16.746 -14.513 4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.662 -15.461 5.454 1.00 0.00 H new ATOM 1402 N SER A 86 14.282 -14.618 9.353 1.00 0.00 N ATOM 1403 CA SER A 86 13.457 -13.851 10.301 1.00 0.00 C ATOM 1404 C SER A 86 14.292 -13.385 11.509 1.00 0.00 C ATOM 1405 O SER A 86 14.008 -12.332 12.100 1.00 0.00 O ATOM 1406 CB SER A 86 12.271 -14.720 10.753 1.00 0.00 C ATOM 1407 OG SER A 86 11.479 -15.109 9.645 1.00 0.00 O ATOM 0 H SER A 86 14.134 -15.626 9.409 1.00 0.00 H new ATOM 0 HA SER A 86 13.079 -12.957 9.806 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.640 -15.606 11.270 1.00 0.00 H new ATOM 0 HB3 SER A 86 11.660 -14.166 11.466 1.00 0.00 H new ATOM 0 HG SER A 86 11.921 -15.842 9.168 1.00 0.00 H new ATOM 1413 N SER A 87 15.330 -14.177 11.854 1.00 0.00 N ATOM 1414 CA SER A 87 16.259 -13.861 12.952 1.00 0.00 C ATOM 1415 C SER A 87 17.098 -12.628 12.602 1.00 0.00 C ATOM 1416 O SER A 87 17.285 -11.737 13.437 1.00 0.00 O ATOM 1417 CB SER A 87 17.173 -15.073 13.249 1.00 0.00 C ATOM 1418 OG SER A 87 16.417 -16.174 13.721 1.00 0.00 O ATOM 0 H SER A 87 15.544 -15.053 11.377 1.00 0.00 H new ATOM 0 HA SER A 87 15.678 -13.640 13.847 1.00 0.00 H new ATOM 0 HB2 SER A 87 17.711 -15.358 12.345 1.00 0.00 H new ATOM 0 HB3 SER A 87 17.921 -14.796 13.992 1.00 0.00 H new ATOM 0 HG SER A 87 15.875 -16.536 12.989 1.00 0.00 H new ATOM 1424 N ASP A 88 17.592 -12.585 11.349 1.00 0.00 N ATOM 1425 CA ASP A 88 18.392 -11.459 10.833 1.00 0.00 C ATOM 1426 C ASP A 88 17.981 -11.132 9.400 1.00 0.00 C ATOM 1427 O ASP A 88 18.056 -11.993 8.520 1.00 0.00 O ATOM 1428 CB ASP A 88 19.918 -11.772 10.873 1.00 0.00 C ATOM 1429 CG ASP A 88 20.509 -11.767 12.294 1.00 0.00 C ATOM 1430 OD1 ASP A 88 20.504 -12.823 12.969 1.00 0.00 O ATOM 1431 OD2 ASP A 88 20.978 -10.698 12.748 1.00 0.00 O ATOM 0 H ASP A 88 17.447 -13.330 10.667 1.00 0.00 H new ATOM 0 HA ASP A 88 18.201 -10.601 11.477 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.093 -12.747 10.419 1.00 0.00 H new ATOM 0 HB3 ASP A 88 20.447 -11.038 10.265 1.00 0.00 H new ATOM 1436 N GLY A 89 17.573 -9.873 9.169 1.00 0.00 N ATOM 1437 CA GLY A 89 17.452 -9.339 7.814 1.00 0.00 C ATOM 1438 C GLY A 89 18.809 -9.168 7.131 1.00 0.00 C ATOM 1439 O GLY A 89 18.882 -8.942 5.927 1.00 0.00 O ATOM 0 H GLY A 89 17.323 -9.212 9.905 1.00 0.00 H new ATOM 0 HA2 GLY A 89 16.830 -10.006 7.218 1.00 0.00 H new ATOM 0 HA3 GLY A 89 16.943 -8.376 7.850 1.00 0.00 H new ATOM 1443 N MET A 90 19.892 -9.248 7.932 1.00 0.00 N ATOM 1444 CA MET A 90 21.264 -9.363 7.422 1.00 0.00 C ATOM 1445 C MET A 90 21.484 -10.724 6.732 1.00 0.00 C ATOM 1446 O MET A 90 22.295 -10.824 5.816 1.00 0.00 O ATOM 1447 CB MET A 90 22.287 -9.149 8.566 1.00 0.00 C ATOM 1448 CG MET A 90 22.395 -7.717 9.128 1.00 0.00 C ATOM 1449 SD MET A 90 23.165 -6.522 7.996 1.00 0.00 S ATOM 1450 CE MET A 90 21.822 -5.996 6.929 1.00 0.00 C ATOM 0 H MET A 90 19.834 -9.234 8.950 1.00 0.00 H new ATOM 0 HA MET A 90 21.418 -8.584 6.676 1.00 0.00 H new ATOM 0 HB2 MET A 90 22.029 -9.819 9.386 1.00 0.00 H new ATOM 0 HB3 MET A 90 23.271 -9.450 8.206 1.00 0.00 H new ATOM 0 HG2 MET A 90 21.396 -7.364 9.385 1.00 0.00 H new ATOM 0 HG3 MET A 90 22.971 -7.745 10.053 1.00 0.00 H new ATOM 0 HE1 MET A 90 22.064 -5.029 6.489 1.00 0.00 H new ATOM 0 HE2 MET A 90 21.679 -6.730 6.136 1.00 0.00 H new ATOM 0 HE3 MET A 90 20.906 -5.910 7.513 1.00 0.00 H new ATOM 1460 N LEU A 91 20.766 -11.766 7.202 1.00 0.00 N ATOM 1461 CA LEU A 91 20.749 -13.095 6.555 1.00 0.00 C ATOM 1462 C LEU A 91 19.834 -13.117 5.326 1.00 0.00 C ATOM 1463 O LEU A 91 19.836 -14.093 4.576 1.00 0.00 O ATOM 1464 CB LEU A 91 20.329 -14.197 7.576 1.00 0.00 C ATOM 1465 CG LEU A 91 21.405 -14.554 8.645 1.00 0.00 C ATOM 1466 CD1 LEU A 91 20.928 -15.691 9.580 1.00 0.00 C ATOM 1467 CD2 LEU A 91 22.736 -14.911 7.954 1.00 0.00 C ATOM 0 H LEU A 91 20.184 -11.710 8.038 1.00 0.00 H new ATOM 0 HA LEU A 91 21.762 -13.306 6.211 1.00 0.00 H new ATOM 0 HB2 LEU A 91 19.425 -13.869 8.089 1.00 0.00 H new ATOM 0 HB3 LEU A 91 20.073 -15.102 7.025 1.00 0.00 H new ATOM 0 HG LEU A 91 21.566 -13.679 9.274 1.00 0.00 H new ATOM 0 HD11 LEU A 91 21.706 -15.911 10.311 1.00 0.00 H new ATOM 0 HD12 LEU A 91 20.021 -15.380 10.098 1.00 0.00 H new ATOM 0 HD13 LEU A 91 20.721 -16.584 8.990 1.00 0.00 H new ATOM 0 HD21 LEU A 91 23.483 -15.159 8.708 1.00 0.00 H new ATOM 0 HD22 LEU A 91 22.586 -15.767 7.296 1.00 0.00 H new ATOM 0 HD23 LEU A 91 23.082 -14.059 7.368 1.00 0.00 H new ATOM 1479 N VAL A 92 19.047 -12.049 5.148 1.00 0.00 N ATOM 1480 CA VAL A 92 18.261 -11.812 3.925 1.00 0.00 C ATOM 1481 C VAL A 92 19.040 -10.837 3.011 1.00 0.00 C ATOM 1482 O VAL A 92 19.985 -10.164 3.461 1.00 0.00 O ATOM 1483 CB VAL A 92 16.829 -11.214 4.246 1.00 0.00 C ATOM 1484 CG1 VAL A 92 15.863 -11.312 3.032 1.00 0.00 C ATOM 1485 CG2 VAL A 92 16.216 -11.881 5.485 1.00 0.00 C ATOM 0 H VAL A 92 18.935 -11.319 5.851 1.00 0.00 H new ATOM 0 HA VAL A 92 18.110 -12.769 3.425 1.00 0.00 H new ATOM 0 HB VAL A 92 16.971 -10.155 4.459 1.00 0.00 H new ATOM 0 HG11 VAL A 92 14.895 -10.889 3.302 1.00 0.00 H new ATOM 0 HG12 VAL A 92 16.279 -10.758 2.190 1.00 0.00 H new ATOM 0 HG13 VAL A 92 15.737 -12.358 2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 92 15.234 -11.451 5.681 1.00 0.00 H new ATOM 0 HG22 VAL A 92 16.115 -12.952 5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 92 16.864 -11.715 6.346 1.00 0.00 H new ATOM 1495 N LYS A 93 18.668 -10.809 1.725 1.00 0.00 N ATOM 1496 CA LYS A 93 19.141 -9.800 0.778 1.00 0.00 C ATOM 1497 C LYS A 93 18.617 -8.415 1.206 1.00 0.00 C ATOM 1498 O LYS A 93 17.396 -8.237 1.341 1.00 0.00 O ATOM 1499 CB LYS A 93 18.650 -10.130 -0.656 1.00 0.00 C ATOM 1500 CG LYS A 93 19.062 -11.525 -1.189 1.00 0.00 C ATOM 1501 CD LYS A 93 20.577 -11.658 -1.479 1.00 0.00 C ATOM 1502 CE LYS A 93 21.050 -10.756 -2.634 1.00 0.00 C ATOM 1503 NZ LYS A 93 22.450 -11.053 -3.016 1.00 0.00 N ATOM 0 H LYS A 93 18.028 -11.489 1.314 1.00 0.00 H new ATOM 0 HA LYS A 93 20.231 -9.795 0.777 1.00 0.00 H new ATOM 0 HB2 LYS A 93 17.563 -10.058 -0.676 1.00 0.00 H new ATOM 0 HB3 LYS A 93 19.033 -9.371 -1.338 1.00 0.00 H new ATOM 0 HG2 LYS A 93 18.773 -12.282 -0.461 1.00 0.00 H new ATOM 0 HG3 LYS A 93 18.506 -11.733 -2.103 1.00 0.00 H new ATOM 0 HD2 LYS A 93 21.137 -11.409 -0.578 1.00 0.00 H new ATOM 0 HD3 LYS A 93 20.806 -12.696 -1.719 1.00 0.00 H new ATOM 0 HE2 LYS A 93 20.399 -10.896 -3.497 1.00 0.00 H new ATOM 0 HE3 LYS A 93 20.966 -9.710 -2.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 22.575 -10.885 -4.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 23.094 -10.435 -2.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 22.665 -12.047 -2.800 1.00 0.00 H new ATOM 1517 N ARG A 94 19.542 -7.462 1.445 1.00 0.00 N ATOM 1518 CA ARG A 94 19.183 -6.064 1.746 1.00 0.00 C ATOM 1519 C ARG A 94 18.323 -5.456 0.601 1.00 0.00 C ATOM 1520 O ARG A 94 17.249 -4.947 0.889 1.00 0.00 O ATOM 1521 CB ARG A 94 20.429 -5.178 2.027 1.00 0.00 C ATOM 1522 CG ARG A 94 21.373 -5.691 3.139 1.00 0.00 C ATOM 1523 CD ARG A 94 22.615 -4.793 3.303 1.00 0.00 C ATOM 1524 NE ARG A 94 23.376 -4.679 2.040 1.00 0.00 N ATOM 1525 CZ ARG A 94 23.902 -3.550 1.529 1.00 0.00 C ATOM 1526 NH1 ARG A 94 23.850 -2.402 2.189 1.00 0.00 N ATOM 1527 NH2 ARG A 94 24.504 -3.590 0.359 1.00 0.00 N ATOM 0 H ARG A 94 20.547 -7.638 1.435 1.00 0.00 H new ATOM 0 HA ARG A 94 18.590 -6.079 2.661 1.00 0.00 H new ATOM 0 HB2 ARG A 94 21.001 -5.083 1.104 1.00 0.00 H new ATOM 0 HB3 ARG A 94 20.089 -4.178 2.296 1.00 0.00 H new ATOM 0 HG2 ARG A 94 20.830 -5.735 4.083 1.00 0.00 H new ATOM 0 HG3 ARG A 94 21.689 -6.708 2.905 1.00 0.00 H new ATOM 0 HD2 ARG A 94 22.306 -3.801 3.633 1.00 0.00 H new ATOM 0 HD3 ARG A 94 23.260 -5.202 4.081 1.00 0.00 H new ATOM 0 HE ARG A 94 23.515 -5.537 1.506 1.00 0.00 H new ATOM 0 HH11 ARG A 94 23.404 -2.360 3.105 1.00 0.00 H new ATOM 0 HH12 ARG A 94 24.256 -1.560 1.781 1.00 0.00 H new ATOM 0 HH21 ARG A 94 24.569 -4.471 -0.151 1.00 0.00 H new ATOM 0 HH22 ARG A 94 24.906 -2.740 -0.037 1.00 0.00 H new ATOM 1541 N PRO A 95 18.749 -5.526 -0.726 1.00 0.00 N ATOM 1542 CA PRO A 95 17.885 -5.080 -1.834 1.00 0.00 C ATOM 1543 C PRO A 95 16.780 -6.119 -2.149 1.00 0.00 C ATOM 1544 O PRO A 95 17.034 -7.180 -2.739 1.00 0.00 O ATOM 1545 CB PRO A 95 18.868 -4.905 -3.013 1.00 0.00 C ATOM 1546 CG PRO A 95 19.951 -5.907 -2.755 1.00 0.00 C ATOM 1547 CD PRO A 95 20.065 -6.025 -1.248 1.00 0.00 C ATOM 0 HA PRO A 95 17.342 -4.163 -1.605 1.00 0.00 H new ATOM 0 HB2 PRO A 95 18.377 -5.089 -3.969 1.00 0.00 H new ATOM 0 HB3 PRO A 95 19.267 -3.891 -3.049 1.00 0.00 H new ATOM 0 HG2 PRO A 95 19.706 -6.870 -3.204 1.00 0.00 H new ATOM 0 HG3 PRO A 95 20.895 -5.582 -3.193 1.00 0.00 H new ATOM 0 HD2 PRO A 95 20.246 -7.056 -0.944 1.00 0.00 H new ATOM 0 HD3 PRO A 95 20.894 -5.430 -0.866 1.00 0.00 H new ATOM 1555 N LEU A 96 15.566 -5.816 -1.683 1.00 0.00 N ATOM 1556 CA LEU A 96 14.362 -6.601 -1.968 1.00 0.00 C ATOM 1557 C LEU A 96 13.186 -5.625 -2.075 1.00 0.00 C ATOM 1558 O LEU A 96 13.168 -4.582 -1.427 1.00 0.00 O ATOM 1559 CB LEU A 96 14.152 -7.705 -0.868 1.00 0.00 C ATOM 1560 CG LEU A 96 12.813 -8.550 -0.913 1.00 0.00 C ATOM 1561 CD1 LEU A 96 13.022 -10.010 -0.426 1.00 0.00 C ATOM 1562 CD2 LEU A 96 11.677 -7.899 -0.095 1.00 0.00 C ATOM 0 H LEU A 96 15.389 -5.006 -1.088 1.00 0.00 H new ATOM 0 HA LEU A 96 14.453 -7.140 -2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 96 14.989 -8.401 -0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 96 14.210 -7.221 0.107 1.00 0.00 H new ATOM 0 HG LEU A 96 12.519 -8.568 -1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.076 -10.549 -0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 96 13.755 -10.505 -1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.382 -10.002 0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.782 -8.518 -0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 96 11.984 -7.811 0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.462 -6.908 -0.495 1.00 0.00 H new ATOM 1574 N ALA A 97 12.232 -5.954 -2.931 1.00 0.00 N ATOM 1575 CA ALA A 97 10.998 -5.185 -3.104 1.00 0.00 C ATOM 1576 C ALA A 97 9.876 -6.186 -3.359 1.00 0.00 C ATOM 1577 O ALA A 97 9.956 -6.948 -4.310 1.00 0.00 O ATOM 1578 CB ALA A 97 11.155 -4.173 -4.256 1.00 0.00 C ATOM 0 H ALA A 97 12.288 -6.773 -3.536 1.00 0.00 H new ATOM 0 HA ALA A 97 10.765 -4.599 -2.215 1.00 0.00 H new ATOM 0 HB1 ALA A 97 10.230 -3.609 -4.373 1.00 0.00 H new ATOM 0 HB2 ALA A 97 11.972 -3.488 -4.030 1.00 0.00 H new ATOM 0 HB3 ALA A 97 11.374 -4.706 -5.181 1.00 0.00 H new ATOM 1584 N VAL A 98 8.867 -6.217 -2.487 1.00 0.00 N ATOM 1585 CA VAL A 98 7.761 -7.195 -2.555 1.00 0.00 C ATOM 1586 C VAL A 98 6.412 -6.476 -2.409 1.00 0.00 C ATOM 1587 O VAL A 98 6.339 -5.413 -1.815 1.00 0.00 O ATOM 1588 CB VAL A 98 7.938 -8.306 -1.440 1.00 0.00 C ATOM 1589 CG1 VAL A 98 7.947 -7.696 -0.015 1.00 0.00 C ATOM 1590 CG2 VAL A 98 6.888 -9.446 -1.562 1.00 0.00 C ATOM 0 H VAL A 98 8.786 -5.565 -1.707 1.00 0.00 H new ATOM 0 HA VAL A 98 7.782 -7.688 -3.527 1.00 0.00 H new ATOM 0 HB VAL A 98 8.915 -8.758 -1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.070 -8.491 0.720 1.00 0.00 H new ATOM 0 HG12 VAL A 98 8.772 -6.989 0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.005 -7.178 0.165 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.055 -10.180 -0.774 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.886 -9.029 -1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.986 -9.929 -2.534 1.00 0.00 H new ATOM 1600 N MET A 99 5.358 -7.059 -2.982 1.00 0.00 N ATOM 1601 CA MET A 99 3.976 -6.561 -2.869 1.00 0.00 C ATOM 1602 C MET A 99 3.092 -7.786 -2.518 1.00 0.00 C ATOM 1603 O MET A 99 3.544 -8.650 -1.745 1.00 0.00 O ATOM 1604 CB MET A 99 3.550 -5.851 -4.200 1.00 0.00 C ATOM 1605 CG MET A 99 2.505 -4.721 -4.018 1.00 0.00 C ATOM 1606 SD MET A 99 1.531 -4.373 -5.513 1.00 0.00 S ATOM 1607 CE MET A 99 2.782 -3.870 -6.696 1.00 0.00 C ATOM 0 H MET A 99 5.436 -7.904 -3.548 1.00 0.00 H new ATOM 0 HA MET A 99 3.869 -5.808 -2.088 1.00 0.00 H new ATOM 0 HB2 MET A 99 4.438 -5.435 -4.675 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.144 -6.598 -4.882 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.827 -4.993 -3.209 1.00 0.00 H new ATOM 0 HG3 MET A 99 3.019 -3.810 -3.710 1.00 0.00 H new ATOM 0 HE1 MET A 99 2.557 -2.867 -7.060 1.00 0.00 H new ATOM 0 HE2 MET A 99 3.760 -3.870 -6.214 1.00 0.00 H new ATOM 0 HE3 MET A 99 2.791 -4.567 -7.534 1.00 0.00 H new ATOM 1617 N GLY A 100 1.841 -7.863 -3.033 1.00 0.00 N ATOM 1618 CA GLY A 100 0.979 -9.032 -2.809 1.00 0.00 C ATOM 1619 C GLY A 100 1.496 -10.285 -3.516 1.00 0.00 C ATOM 1620 O GLY A 100 2.075 -11.169 -2.877 1.00 0.00 O ATOM 0 H GLY A 100 1.415 -7.131 -3.602 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.907 -9.226 -1.739 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -0.028 -8.809 -3.161 1.00 0.00 H new ATOM 1624 N ASP A 101 1.311 -10.348 -4.847 1.00 0.00 N ATOM 1625 CA ASP A 101 1.712 -11.511 -5.672 1.00 0.00 C ATOM 1626 C ASP A 101 2.888 -11.154 -6.618 1.00 0.00 C ATOM 1627 O ASP A 101 3.245 -11.935 -7.510 1.00 0.00 O ATOM 1628 CB ASP A 101 0.482 -12.043 -6.461 1.00 0.00 C ATOM 1629 CG ASP A 101 0.047 -11.140 -7.638 1.00 0.00 C ATOM 1630 OD1 ASP A 101 -0.174 -9.923 -7.431 1.00 0.00 O ATOM 1631 OD2 ASP A 101 -0.058 -11.640 -8.784 1.00 0.00 O ATOM 0 H ASP A 101 0.880 -9.596 -5.385 1.00 0.00 H new ATOM 0 HA ASP A 101 2.069 -12.303 -5.013 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.713 -13.036 -6.846 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.357 -12.154 -5.774 1.00 0.00 H new ATOM 1636 N LYS A 102 3.514 -9.981 -6.385 1.00 0.00 N ATOM 1637 CA LYS A 102 4.666 -9.483 -7.181 1.00 0.00 C ATOM 1638 C LYS A 102 5.904 -9.296 -6.285 1.00 0.00 C ATOM 1639 O LYS A 102 5.763 -8.934 -5.119 1.00 0.00 O ATOM 1640 CB LYS A 102 4.297 -8.140 -7.864 1.00 0.00 C ATOM 1641 CG LYS A 102 3.115 -8.213 -8.851 1.00 0.00 C ATOM 1642 CD LYS A 102 3.349 -9.208 -10.012 1.00 0.00 C ATOM 1643 CE LYS A 102 2.194 -9.199 -11.027 1.00 0.00 C ATOM 1644 NZ LYS A 102 0.883 -9.491 -10.392 1.00 0.00 N ATOM 0 H LYS A 102 3.236 -9.346 -5.636 1.00 0.00 H new ATOM 0 HA LYS A 102 4.902 -10.221 -7.947 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.060 -7.410 -7.090 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.172 -7.768 -8.396 1.00 0.00 H new ATOM 0 HG2 LYS A 102 2.215 -8.503 -8.309 1.00 0.00 H new ATOM 0 HG3 LYS A 102 2.933 -7.221 -9.263 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.280 -8.957 -10.521 1.00 0.00 H new ATOM 0 HD3 LYS A 102 3.468 -10.213 -9.608 1.00 0.00 H new ATOM 0 HE2 LYS A 102 2.150 -8.225 -11.515 1.00 0.00 H new ATOM 0 HE3 LYS A 102 2.391 -9.937 -11.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 0.138 -9.491 -11.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 0.919 -10.424 -9.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 0.673 -8.763 -9.680 1.00 0.00 H new ATOM 1658 N ILE A 103 7.116 -9.526 -6.846 1.00 0.00 N ATOM 1659 CA ILE A 103 8.392 -9.377 -6.095 1.00 0.00 C ATOM 1660 C ILE A 103 9.597 -9.219 -7.064 1.00 0.00 C ATOM 1661 O ILE A 103 9.553 -9.694 -8.208 1.00 0.00 O ATOM 1662 CB ILE A 103 8.638 -10.596 -5.114 1.00 0.00 C ATOM 1663 CG1 ILE A 103 9.822 -10.320 -4.116 1.00 0.00 C ATOM 1664 CG2 ILE A 103 8.868 -11.904 -5.907 1.00 0.00 C ATOM 1665 CD1 ILE A 103 9.955 -11.326 -2.981 1.00 0.00 C ATOM 0 H ILE A 103 7.239 -9.816 -7.816 1.00 0.00 H new ATOM 0 HA ILE A 103 8.306 -8.471 -5.495 1.00 0.00 H new ATOM 0 HB ILE A 103 7.737 -10.716 -4.513 1.00 0.00 H new ATOM 0 HG12 ILE A 103 10.755 -10.304 -4.679 1.00 0.00 H new ATOM 0 HG13 ILE A 103 9.692 -9.326 -3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.035 -12.727 -5.212 1.00 0.00 H new ATOM 0 HG22 ILE A 103 7.991 -12.118 -6.518 1.00 0.00 H new ATOM 0 HG23 ILE A 103 9.740 -11.791 -6.551 1.00 0.00 H new ATOM 0 HD11 ILE A 103 10.798 -11.051 -2.348 1.00 0.00 H new ATOM 0 HD12 ILE A 103 9.041 -11.328 -2.387 1.00 0.00 H new ATOM 0 HD13 ILE A 103 10.121 -12.321 -3.394 1.00 0.00 H new ATOM 1677 N THR A 104 10.650 -8.529 -6.584 1.00 0.00 N ATOM 1678 CA THR A 104 11.940 -8.353 -7.277 1.00 0.00 C ATOM 1679 C THR A 104 13.080 -8.459 -6.246 1.00 0.00 C ATOM 1680 O THR A 104 13.000 -7.847 -5.169 1.00 0.00 O ATOM 1681 CB THR A 104 12.027 -6.961 -7.996 1.00 0.00 C ATOM 1682 OG1 THR A 104 11.745 -5.900 -7.065 1.00 0.00 O ATOM 1683 CG2 THR A 104 11.064 -6.848 -9.186 1.00 0.00 C ATOM 0 H THR A 104 10.625 -8.065 -5.676 1.00 0.00 H new ATOM 0 HA THR A 104 12.028 -9.131 -8.035 1.00 0.00 H new ATOM 0 HB THR A 104 13.044 -6.873 -8.378 1.00 0.00 H new ATOM 0 HG1 THR A 104 10.776 -5.770 -7.001 1.00 0.00 H new ATOM 0 HG21 THR A 104 11.167 -5.865 -9.645 1.00 0.00 H new ATOM 0 HG22 THR A 104 11.301 -7.618 -9.920 1.00 0.00 H new ATOM 0 HG23 THR A 104 10.039 -6.981 -8.839 1.00 0.00 H new ATOM 1691 N LEU A 105 14.117 -9.261 -6.558 1.00 0.00 N ATOM 1692 CA LEU A 105 15.334 -9.377 -5.718 1.00 0.00 C ATOM 1693 C LEU A 105 16.522 -8.692 -6.408 1.00 0.00 C ATOM 1694 O LEU A 105 16.737 -8.863 -7.618 1.00 0.00 O ATOM 1695 CB LEU A 105 15.662 -10.873 -5.387 1.00 0.00 C ATOM 1696 CG LEU A 105 15.063 -11.432 -4.061 1.00 0.00 C ATOM 1697 CD1 LEU A 105 15.668 -10.710 -2.843 1.00 0.00 C ATOM 1698 CD2 LEU A 105 13.525 -11.354 -4.059 1.00 0.00 C ATOM 0 H LEU A 105 14.139 -9.845 -7.394 1.00 0.00 H new ATOM 0 HA LEU A 105 15.143 -8.871 -4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 105 15.307 -11.492 -6.211 1.00 0.00 H new ATOM 0 HB3 LEU A 105 16.745 -10.986 -5.348 1.00 0.00 H new ATOM 0 HG LEU A 105 15.329 -12.487 -3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.236 -11.116 -1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 105 16.748 -10.858 -2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 105 15.449 -9.644 -2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 105 13.142 -11.752 -3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 105 13.213 -10.315 -4.167 1.00 0.00 H new ATOM 0 HD23 LEU A 105 13.130 -11.939 -4.889 1.00 0.00 H new ATOM 1710 N GLY A 106 17.280 -7.914 -5.614 1.00 0.00 N ATOM 1711 CA GLY A 106 18.445 -7.178 -6.095 1.00 0.00 C ATOM 1712 C GLY A 106 18.079 -5.926 -6.889 1.00 0.00 C ATOM 1713 O GLY A 106 16.939 -5.777 -7.354 1.00 0.00 O ATOM 0 H GLY A 106 17.095 -7.783 -4.620 1.00 0.00 H new ATOM 0 HA2 GLY A 106 19.064 -6.893 -5.244 1.00 0.00 H new ATOM 0 HA3 GLY A 106 19.048 -7.835 -6.722 1.00 0.00 H new ATOM 1717 N PHE A 107 19.046 -5.002 -7.020 1.00 0.00 N ATOM 1718 CA PHE A 107 18.920 -3.848 -7.916 1.00 0.00 C ATOM 1719 C PHE A 107 19.116 -4.325 -9.369 1.00 0.00 C ATOM 1720 O PHE A 107 20.247 -4.410 -9.872 1.00 0.00 O ATOM 1721 CB PHE A 107 19.925 -2.720 -7.538 1.00 0.00 C ATOM 1722 CG PHE A 107 19.887 -1.506 -8.471 1.00 0.00 C ATOM 1723 CD1 PHE A 107 18.756 -0.702 -8.545 1.00 0.00 C ATOM 1724 CD2 PHE A 107 20.978 -1.175 -9.280 1.00 0.00 C ATOM 1725 CE1 PHE A 107 18.706 0.382 -9.399 1.00 0.00 C ATOM 1726 CE2 PHE A 107 20.927 -0.088 -10.130 1.00 0.00 C ATOM 1727 CZ PHE A 107 19.792 0.690 -10.188 1.00 0.00 C ATOM 0 H PHE A 107 19.929 -5.036 -6.511 1.00 0.00 H new ATOM 0 HA PHE A 107 17.924 -3.416 -7.813 1.00 0.00 H new ATOM 0 HB2 PHE A 107 19.716 -2.389 -6.521 1.00 0.00 H new ATOM 0 HB3 PHE A 107 20.934 -3.133 -7.538 1.00 0.00 H new ATOM 0 HD1 PHE A 107 17.902 -0.929 -7.924 1.00 0.00 H new ATOM 0 HD2 PHE A 107 21.873 -1.778 -9.240 1.00 0.00 H new ATOM 0 HE1 PHE A 107 17.814 0.989 -9.448 1.00 0.00 H new ATOM 0 HE2 PHE A 107 21.778 0.152 -10.750 1.00 0.00 H new ATOM 0 HZ PHE A 107 19.754 1.541 -10.852 1.00 0.00 H new ATOM 1737 N LYS A 108 17.999 -4.740 -9.986 1.00 0.00 N ATOM 1738 CA LYS A 108 17.933 -5.100 -11.409 1.00 0.00 C ATOM 1739 C LYS A 108 16.797 -4.302 -12.043 1.00 0.00 C ATOM 1740 O LYS A 108 15.618 -4.573 -11.764 1.00 0.00 O ATOM 1741 CB LYS A 108 17.692 -6.626 -11.613 1.00 0.00 C ATOM 1742 CG LYS A 108 18.810 -7.539 -11.069 1.00 0.00 C ATOM 1743 CD LYS A 108 18.559 -9.027 -11.393 1.00 0.00 C ATOM 1744 CE LYS A 108 19.664 -9.954 -10.869 1.00 0.00 C ATOM 1745 NZ LYS A 108 19.404 -11.380 -11.211 1.00 0.00 N ATOM 0 H LYS A 108 17.105 -4.836 -9.504 1.00 0.00 H new ATOM 0 HA LYS A 108 18.887 -4.864 -11.881 1.00 0.00 H new ATOM 0 HB2 LYS A 108 16.753 -6.898 -11.130 1.00 0.00 H new ATOM 0 HB3 LYS A 108 17.571 -6.820 -12.679 1.00 0.00 H new ATOM 0 HG2 LYS A 108 19.766 -7.233 -11.494 1.00 0.00 H new ATOM 0 HG3 LYS A 108 18.887 -7.412 -9.989 1.00 0.00 H new ATOM 0 HD2 LYS A 108 17.605 -9.330 -10.962 1.00 0.00 H new ATOM 0 HD3 LYS A 108 18.474 -9.148 -12.473 1.00 0.00 H new ATOM 0 HE2 LYS A 108 20.622 -9.649 -11.289 1.00 0.00 H new ATOM 0 HE3 LYS A 108 19.743 -9.849 -9.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 20.174 -11.972 -10.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 18.502 -11.679 -10.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 19.355 -11.486 -12.244 1.00 0.00 H new ATOM 1759 N GLU A 109 17.160 -3.299 -12.868 1.00 0.00 N ATOM 1760 CA GLU A 109 16.192 -2.456 -13.586 1.00 0.00 C ATOM 1761 C GLU A 109 15.275 -3.316 -14.473 1.00 0.00 C ATOM 1762 O GLU A 109 14.106 -2.993 -14.647 1.00 0.00 O ATOM 1763 CB GLU A 109 16.931 -1.383 -14.427 1.00 0.00 C ATOM 1764 CG GLU A 109 16.004 -0.401 -15.167 1.00 0.00 C ATOM 1765 CD GLU A 109 16.737 0.740 -15.892 1.00 0.00 C ATOM 1766 OE1 GLU A 109 17.404 1.553 -15.217 1.00 0.00 O ATOM 1767 OE2 GLU A 109 16.642 0.839 -17.138 1.00 0.00 O ATOM 0 H GLU A 109 18.133 -3.054 -13.053 1.00 0.00 H new ATOM 0 HA GLU A 109 15.567 -1.945 -12.854 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.590 -0.816 -13.770 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.565 -1.885 -15.158 1.00 0.00 H new ATOM 0 HG2 GLU A 109 15.413 -0.957 -15.895 1.00 0.00 H new ATOM 0 HG3 GLU A 109 15.305 0.030 -14.450 1.00 0.00 H new ATOM 1774 N ASP A 110 15.833 -4.430 -14.992 1.00 0.00 N ATOM 1775 CA ASP A 110 15.096 -5.428 -15.794 1.00 0.00 C ATOM 1776 C ASP A 110 13.871 -5.969 -15.026 1.00 0.00 C ATOM 1777 O ASP A 110 12.731 -5.856 -15.492 1.00 0.00 O ATOM 1778 CB ASP A 110 16.044 -6.593 -16.170 1.00 0.00 C ATOM 1779 CG ASP A 110 15.351 -7.713 -16.974 1.00 0.00 C ATOM 1780 OD1 ASP A 110 15.169 -7.551 -18.202 1.00 0.00 O ATOM 1781 OD2 ASP A 110 14.993 -8.762 -16.383 1.00 0.00 O ATOM 0 H ASP A 110 16.818 -4.664 -14.864 1.00 0.00 H new ATOM 0 HA ASP A 110 14.735 -4.942 -16.701 1.00 0.00 H new ATOM 0 HB2 ASP A 110 16.877 -6.200 -16.753 1.00 0.00 H new ATOM 0 HB3 ASP A 110 16.465 -7.018 -15.259 1.00 0.00 H new ATOM 1786 N GLN A 111 14.130 -6.533 -13.835 1.00 0.00 N ATOM 1787 CA GLN A 111 13.088 -7.101 -12.967 1.00 0.00 C ATOM 1788 C GLN A 111 12.068 -6.028 -12.548 1.00 0.00 C ATOM 1789 O GLN A 111 10.877 -6.316 -12.445 1.00 0.00 O ATOM 1790 CB GLN A 111 13.739 -7.763 -11.724 1.00 0.00 C ATOM 1791 CG GLN A 111 14.681 -8.936 -12.054 1.00 0.00 C ATOM 1792 CD GLN A 111 13.962 -10.156 -12.640 1.00 0.00 C ATOM 1793 OE1 GLN A 111 13.530 -11.041 -11.906 1.00 0.00 O ATOM 1794 NE2 GLN A 111 13.820 -10.214 -13.960 1.00 0.00 N ATOM 0 H GLN A 111 15.070 -6.608 -13.447 1.00 0.00 H new ATOM 0 HA GLN A 111 12.548 -7.864 -13.528 1.00 0.00 H new ATOM 0 HB2 GLN A 111 14.298 -7.006 -11.174 1.00 0.00 H new ATOM 0 HB3 GLN A 111 12.950 -8.120 -11.062 1.00 0.00 H new ATOM 0 HG2 GLN A 111 15.437 -8.596 -12.762 1.00 0.00 H new ATOM 0 HG3 GLN A 111 15.206 -9.235 -11.147 1.00 0.00 H new ATOM 0 HE21 GLN A 111 14.189 -9.465 -14.546 1.00 0.00 H new ATOM 0 HE22 GLN A 111 13.342 -11.008 -14.387 1.00 0.00 H new ATOM 1803 N TYR A 112 12.544 -4.782 -12.346 1.00 0.00 N ATOM 1804 CA TYR A 112 11.686 -3.658 -11.926 1.00 0.00 C ATOM 1805 C TYR A 112 10.680 -3.266 -13.034 1.00 0.00 C ATOM 1806 O TYR A 112 9.476 -3.173 -12.771 1.00 0.00 O ATOM 1807 CB TYR A 112 12.540 -2.432 -11.504 1.00 0.00 C ATOM 1808 CG TYR A 112 13.429 -2.616 -10.258 1.00 0.00 C ATOM 1809 CD1 TYR A 112 13.098 -3.513 -9.236 1.00 0.00 C ATOM 1810 CD2 TYR A 112 14.598 -1.861 -10.095 1.00 0.00 C ATOM 1811 CE1 TYR A 112 13.895 -3.650 -8.113 1.00 0.00 C ATOM 1812 CE2 TYR A 112 15.393 -2.002 -8.975 1.00 0.00 C ATOM 1813 CZ TYR A 112 15.041 -2.895 -7.989 1.00 0.00 C ATOM 1814 OH TYR A 112 15.833 -3.026 -6.865 1.00 0.00 O ATOM 0 H TYR A 112 13.525 -4.529 -12.468 1.00 0.00 H new ATOM 0 HA TYR A 112 11.114 -3.992 -11.060 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.179 -2.155 -12.342 1.00 0.00 H new ATOM 0 HB3 TYR A 112 11.868 -1.593 -11.324 1.00 0.00 H new ATOM 0 HD1 TYR A 112 12.203 -4.110 -9.326 1.00 0.00 H new ATOM 0 HD2 TYR A 112 14.883 -1.155 -10.861 1.00 0.00 H new ATOM 0 HE1 TYR A 112 13.619 -4.347 -7.336 1.00 0.00 H new ATOM 0 HE2 TYR A 112 16.291 -1.411 -8.873 1.00 0.00 H new ATOM 0 HH TYR A 112 16.161 -3.947 -6.802 1.00 0.00 H new ATOM 1824 N LYS A 113 11.169 -3.063 -14.280 1.00 0.00 N ATOM 1825 CA LYS A 113 10.302 -2.666 -15.418 1.00 0.00 C ATOM 1826 C LYS A 113 9.377 -3.808 -15.867 1.00 0.00 C ATOM 1827 O LYS A 113 8.342 -3.569 -16.492 1.00 0.00 O ATOM 1828 CB LYS A 113 11.126 -2.064 -16.613 1.00 0.00 C ATOM 1829 CG LYS A 113 12.297 -2.917 -17.191 1.00 0.00 C ATOM 1830 CD LYS A 113 11.877 -4.157 -18.025 1.00 0.00 C ATOM 1831 CE LYS A 113 11.068 -3.819 -19.285 1.00 0.00 C ATOM 1832 NZ LYS A 113 10.697 -5.045 -20.043 1.00 0.00 N ATOM 0 H LYS A 113 12.154 -3.167 -14.524 1.00 0.00 H new ATOM 0 HA LYS A 113 9.657 -1.867 -15.053 1.00 0.00 H new ATOM 0 HB2 LYS A 113 10.432 -1.854 -17.426 1.00 0.00 H new ATOM 0 HB3 LYS A 113 11.536 -1.108 -16.289 1.00 0.00 H new ATOM 0 HG2 LYS A 113 12.917 -2.274 -17.816 1.00 0.00 H new ATOM 0 HG3 LYS A 113 12.921 -3.253 -16.363 1.00 0.00 H new ATOM 0 HD2 LYS A 113 12.773 -4.705 -18.317 1.00 0.00 H new ATOM 0 HD3 LYS A 113 11.287 -4.823 -17.395 1.00 0.00 H new ATOM 0 HE2 LYS A 113 10.165 -3.277 -19.004 1.00 0.00 H new ATOM 0 HE3 LYS A 113 11.651 -3.157 -19.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 9.863 -4.849 -20.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 11.491 -5.331 -20.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 10.477 -5.812 -19.376 1.00 0.00 H new ATOM 1846 N GLU A 114 9.784 -5.045 -15.565 1.00 0.00 N ATOM 1847 CA GLU A 114 9.032 -6.249 -15.937 1.00 0.00 C ATOM 1848 C GLU A 114 7.884 -6.521 -14.941 1.00 0.00 C ATOM 1849 O GLU A 114 6.735 -6.744 -15.342 1.00 0.00 O ATOM 1850 CB GLU A 114 10.016 -7.450 -16.006 1.00 0.00 C ATOM 1851 CG GLU A 114 9.464 -8.704 -16.713 1.00 0.00 C ATOM 1852 CD GLU A 114 9.057 -8.456 -18.183 1.00 0.00 C ATOM 1853 OE1 GLU A 114 9.861 -7.862 -18.948 1.00 0.00 O ATOM 1854 OE2 GLU A 114 7.947 -8.868 -18.586 1.00 0.00 O ATOM 0 H GLU A 114 10.645 -5.241 -15.055 1.00 0.00 H new ATOM 0 HA GLU A 114 8.572 -6.102 -16.914 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.921 -7.130 -16.521 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.306 -7.722 -14.991 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.218 -9.490 -16.681 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.598 -9.070 -16.162 1.00 0.00 H new ATOM 1861 N THR A 115 8.206 -6.460 -13.637 1.00 0.00 N ATOM 1862 CA THR A 115 7.294 -6.881 -12.558 1.00 0.00 C ATOM 1863 C THR A 115 6.373 -5.727 -12.105 1.00 0.00 C ATOM 1864 O THR A 115 5.154 -5.901 -11.996 1.00 0.00 O ATOM 1865 CB THR A 115 8.113 -7.429 -11.344 1.00 0.00 C ATOM 1866 OG1 THR A 115 8.984 -8.482 -11.791 1.00 0.00 O ATOM 1867 CG2 THR A 115 7.227 -7.950 -10.196 1.00 0.00 C ATOM 0 H THR A 115 9.106 -6.117 -13.301 1.00 0.00 H new ATOM 0 HA THR A 115 6.659 -7.675 -12.951 1.00 0.00 H new ATOM 0 HB THR A 115 8.686 -6.592 -10.946 1.00 0.00 H new ATOM 0 HG1 THR A 115 9.821 -8.095 -12.123 1.00 0.00 H new ATOM 0 HG21 THR A 115 7.858 -8.315 -9.386 1.00 0.00 H new ATOM 0 HG22 THR A 115 6.596 -7.141 -9.827 1.00 0.00 H new ATOM 0 HG23 THR A 115 6.599 -8.763 -10.561 1.00 0.00 H new ATOM 1875 N TRP A 116 6.969 -4.552 -11.840 1.00 0.00 N ATOM 1876 CA TRP A 116 6.233 -3.391 -11.300 1.00 0.00 C ATOM 1877 C TRP A 116 5.589 -2.571 -12.430 1.00 0.00 C ATOM 1878 O TRP A 116 4.435 -2.147 -12.327 1.00 0.00 O ATOM 1879 CB TRP A 116 7.181 -2.478 -10.464 1.00 0.00 C ATOM 1880 CG TRP A 116 7.988 -3.206 -9.403 1.00 0.00 C ATOM 1881 CD1 TRP A 116 9.348 -3.167 -9.233 1.00 0.00 C ATOM 1882 CD2 TRP A 116 7.492 -4.074 -8.371 1.00 0.00 C ATOM 1883 NE1 TRP A 116 9.714 -3.944 -8.172 1.00 0.00 N ATOM 1884 CE2 TRP A 116 8.597 -4.512 -7.631 1.00 0.00 C ATOM 1885 CE3 TRP A 116 6.224 -4.529 -8.000 1.00 0.00 C ATOM 1886 CZ2 TRP A 116 8.476 -5.370 -6.550 1.00 0.00 C ATOM 1887 CZ3 TRP A 116 6.110 -5.375 -6.919 1.00 0.00 C ATOM 1888 CH2 TRP A 116 7.230 -5.792 -6.207 1.00 0.00 C ATOM 0 H TRP A 116 7.963 -4.379 -11.991 1.00 0.00 H new ATOM 0 HA TRP A 116 5.444 -3.773 -10.652 1.00 0.00 H new ATOM 0 HB2 TRP A 116 7.869 -1.974 -11.142 1.00 0.00 H new ATOM 0 HB3 TRP A 116 6.585 -1.704 -9.981 1.00 0.00 H new ATOM 0 HD1 TRP A 116 10.032 -2.603 -9.850 1.00 0.00 H new ATOM 0 HE1 TRP A 116 10.668 -4.078 -7.837 1.00 0.00 H new ATOM 0 HE3 TRP A 116 5.348 -4.222 -8.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 9.345 -5.694 -5.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 5.132 -5.721 -6.618 1.00 0.00 H new ATOM 0 HH2 TRP A 116 7.108 -6.462 -5.368 1.00 0.00 H new ATOM 1899 N LEU A 117 6.361 -2.361 -13.508 1.00 0.00 N ATOM 1900 CA LEU A 117 6.015 -1.410 -14.592 1.00 0.00 C ATOM 1901 C LEU A 117 5.476 -2.139 -15.837 1.00 0.00 C ATOM 1902 O LEU A 117 5.267 -3.358 -15.801 1.00 0.00 O ATOM 1903 CB LEU A 117 7.280 -0.584 -14.947 1.00 0.00 C ATOM 1904 CG LEU A 117 8.038 0.027 -13.729 1.00 0.00 C ATOM 1905 CD1 LEU A 117 9.340 0.718 -14.162 1.00 0.00 C ATOM 1906 CD2 LEU A 117 7.127 0.976 -12.935 1.00 0.00 C ATOM 0 H LEU A 117 7.247 -2.844 -13.659 1.00 0.00 H new ATOM 0 HA LEU A 117 5.222 -0.748 -14.244 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.969 -1.223 -15.499 1.00 0.00 H new ATOM 0 HB3 LEU A 117 6.990 0.225 -15.617 1.00 0.00 H new ATOM 0 HG LEU A 117 8.319 -0.792 -13.067 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.841 1.132 -13.287 1.00 0.00 H new ATOM 0 HD12 LEU A 117 9.994 -0.008 -14.645 1.00 0.00 H new ATOM 0 HD13 LEU A 117 9.110 1.521 -14.862 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.679 1.389 -12.091 1.00 0.00 H new ATOM 0 HD22 LEU A 117 6.794 1.787 -13.582 1.00 0.00 H new ATOM 0 HD23 LEU A 117 6.261 0.426 -12.568 1.00 0.00 H new ATOM 1918 N ALA A 118 5.263 -1.346 -16.922 1.00 0.00 N ATOM 1919 CA ALA A 118 4.752 -1.800 -18.234 1.00 0.00 C ATOM 1920 C ALA A 118 3.234 -2.120 -18.154 1.00 0.00 C ATOM 1921 O ALA A 118 2.413 -1.228 -18.475 1.00 0.00 O ATOM 1922 CB ALA A 118 5.576 -2.973 -18.822 1.00 0.00 C ATOM 1923 OXT ALA A 118 2.863 -3.234 -17.736 1.00 0.00 O ATOM 0 H ALA A 118 5.450 -0.343 -16.901 1.00 0.00 H new ATOM 0 HA ALA A 118 4.878 -0.976 -18.936 1.00 0.00 H new ATOM 0 HB1 ALA A 118 5.157 -3.265 -19.785 1.00 0.00 H new ATOM 0 HB2 ALA A 118 6.611 -2.659 -18.957 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.541 -3.821 -18.138 1.00 0.00 H new TER 1929 ALA A 118