USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 918 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 93 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 94 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 97 THR OG1 : rot 180:sc= 0.477 USER MOD Set 2.1: A 26 THR OG1 : rot -72:sc= 2.15 USER MOD Set 2.2: A 51 SER OG : rot 7:sc= 1.08 USER MOD Set 3.1: A 12 THR OG1 : rot -150:sc= 0.279 USER MOD Set 3.2: A 79 LYS NZ :NH3+ -156:sc= 0.213 (180deg=0) USER MOD Single : A 1 MET CE :methyl 175:sc=-0.00575 (180deg=-0.0694) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.208 (180deg=-0.19) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc=-0.00773 USER MOD Single : A 5 GLN : amide:sc= -2.68! K(o=-2.7!,f=-1.3) USER MOD Single : A 13 GLN : amide:sc=-0.000914 K(o=-0.00091,f=-0.74) USER MOD Single : A 17 ASN : amide:sc= 0.632 K(o=0.63,f=-0.0021) USER MOD Single : A 19 SER OG : rot 162:sc= 1.6 USER MOD Single : A 22 ASN : amide:sc= 0.0343 X(o=0.034,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot -12:sc= -1 USER MOD Single : A 28 SER OG : rot 118:sc= 0.507 USER MOD Single : A 29 ASN : amide:sc= 1.01 K(o=1,f=-3.8!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0.881 K(o=0.88,f=-3.5!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 39 MET CE :methyl -127:sc= -1.31 (180deg=-6.47!) USER MOD Single : A 40 THR OG1 : rot -5:sc= 0.474 USER MOD Single : A 43 THR OG1 : rot 70:sc= 0.765 USER MOD Single : A 44 LYS NZ :NH3+ 169:sc= 1.22 (180deg=1.09) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 64:sc= 0.0105 USER MOD Single : A 59 ASN : amide:sc= 1.15 K(o=1.1,f=-0.061) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= -0.479 K(o=-0.48,f=-1.3) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.128 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -178:sc= 2.15 (180deg=2.15) USER MOD Single : A 88 HIS : no HD1:sc= -0.648 X(o=-0.65,f=-1) USER MOD Single : A 90 ASN : amide:sc= -0.0327 K(o=-0.033,f=-0.54) USER MOD Single : A 91 GLN : amide:sc= -0.064 X(o=-0.064,f=-0.19) USER MOD Single : A 95 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0546) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 0.841 K(o=0.84,f=-3.3!) USER MOD Single : A 102 THR OG1 : rot -77:sc= 1.27 USER MOD Single : A 104 CYS SG : rot 126:sc= 0.447 USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 149:sc= 1.17 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.0522 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 5:sc= 0.514 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.924 -21.277 10.341 1.00 0.00 N ATOM 2 CA MET A 1 -22.941 -20.941 8.906 1.00 0.00 C ATOM 3 C MET A 1 -21.826 -19.936 8.646 1.00 0.00 C ATOM 4 O MET A 1 -21.358 -19.307 9.595 1.00 0.00 O ATOM 5 CB MET A 1 -24.305 -20.366 8.493 1.00 0.00 C ATOM 6 CG MET A 1 -25.411 -21.429 8.496 1.00 0.00 C ATOM 7 SD MET A 1 -27.096 -20.780 8.321 1.00 0.00 S ATOM 8 CE MET A 1 -26.977 -19.857 6.762 1.00 0.00 C ATOM 0 H1 MET A 1 -22.644 -22.271 10.461 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.244 -20.663 10.833 1.00 0.00 H new ATOM 0 H3 MET A 1 -23.873 -21.134 10.742 1.00 0.00 H new ATOM 0 HA MET A 1 -22.780 -21.840 8.310 1.00 0.00 H new ATOM 0 HB2 MET A 1 -24.578 -19.559 9.174 1.00 0.00 H new ATOM 0 HB3 MET A 1 -24.226 -19.930 7.497 1.00 0.00 H new ATOM 0 HG2 MET A 1 -25.222 -22.131 7.684 1.00 0.00 H new ATOM 0 HG3 MET A 1 -25.350 -21.993 9.426 1.00 0.00 H new ATOM 0 HE1 MET A 1 -27.962 -19.480 6.486 1.00 0.00 H new ATOM 0 HE2 MET A 1 -26.290 -19.020 6.886 1.00 0.00 H new ATOM 0 HE3 MET A 1 -26.608 -20.516 5.976 1.00 0.00 H new ATOM 18 N TYR A 2 -21.371 -19.786 7.402 1.00 0.00 N ATOM 19 CA TYR A 2 -20.415 -18.753 7.022 1.00 0.00 C ATOM 20 C TYR A 2 -20.699 -18.334 5.581 1.00 0.00 C ATOM 21 O TYR A 2 -21.485 -18.999 4.898 1.00 0.00 O ATOM 22 CB TYR A 2 -18.983 -19.274 7.211 1.00 0.00 C ATOM 23 CG TYR A 2 -17.922 -18.192 7.267 1.00 0.00 C ATOM 24 CD1 TYR A 2 -18.021 -17.170 8.229 1.00 0.00 C ATOM 25 CD2 TYR A 2 -16.827 -18.212 6.382 1.00 0.00 C ATOM 26 CE1 TYR A 2 -17.045 -16.164 8.297 1.00 0.00 C ATOM 27 CE2 TYR A 2 -15.844 -17.210 6.448 1.00 0.00 C ATOM 28 CZ TYR A 2 -15.958 -16.173 7.401 1.00 0.00 C ATOM 29 OH TYR A 2 -15.055 -15.161 7.457 1.00 0.00 O ATOM 0 H TYR A 2 -21.659 -20.383 6.627 1.00 0.00 H new ATOM 0 HA TYR A 2 -20.518 -17.874 7.658 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -18.940 -19.855 8.132 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -18.747 -19.955 6.393 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -18.852 -17.160 8.918 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -16.742 -19.001 5.649 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -17.127 -15.382 9.037 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -15.003 -17.232 5.771 1.00 0.00 H new ATOM 0 HH TYR A 2 -14.361 -15.304 6.780 1.00 0.00 H new ATOM 39 N THR A 3 -20.115 -17.218 5.148 1.00 0.00 N ATOM 40 CA THR A 3 -20.385 -16.632 3.836 1.00 0.00 C ATOM 41 C THR A 3 -19.103 -16.066 3.207 1.00 0.00 C ATOM 42 O THR A 3 -19.160 -15.479 2.127 1.00 0.00 O ATOM 43 CB THR A 3 -21.463 -15.536 4.013 1.00 0.00 C ATOM 44 OG1 THR A 3 -22.505 -15.947 4.883 1.00 0.00 O ATOM 45 CG2 THR A 3 -22.134 -15.054 2.722 1.00 0.00 C ATOM 0 H THR A 3 -19.438 -16.692 5.700 1.00 0.00 H new ATOM 0 HA THR A 3 -20.751 -17.399 3.153 1.00 0.00 H new ATOM 0 HB THR A 3 -20.887 -14.709 4.428 1.00 0.00 H new ATOM 0 HG1 THR A 3 -23.163 -15.226 4.968 1.00 0.00 H new ATOM 0 HG21 THR A 3 -22.872 -14.287 2.960 1.00 0.00 H new ATOM 0 HG22 THR A 3 -21.380 -14.638 2.054 1.00 0.00 H new ATOM 0 HG23 THR A 3 -22.628 -15.894 2.233 1.00 0.00 H new ATOM 53 N GLU A 4 -17.957 -16.253 3.863 1.00 0.00 N ATOM 54 CA GLU A 4 -16.675 -15.635 3.547 1.00 0.00 C ATOM 55 C GLU A 4 -16.853 -14.167 3.115 1.00 0.00 C ATOM 56 O GLU A 4 -16.628 -13.813 1.954 1.00 0.00 O ATOM 57 CB GLU A 4 -15.938 -16.518 2.524 1.00 0.00 C ATOM 58 CG GLU A 4 -14.450 -16.165 2.434 1.00 0.00 C ATOM 59 CD GLU A 4 -13.821 -16.667 1.139 1.00 0.00 C ATOM 60 OE1 GLU A 4 -14.060 -16.072 0.064 1.00 0.00 O ATOM 61 OE2 GLU A 4 -13.030 -17.640 1.175 1.00 0.00 O ATOM 0 H GLU A 4 -17.898 -16.873 4.671 1.00 0.00 H new ATOM 0 HA GLU A 4 -16.046 -15.581 4.435 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -16.047 -17.566 2.804 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -16.399 -16.400 1.543 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.329 -15.084 2.500 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.923 -16.597 3.284 1.00 0.00 H new ATOM 68 N GLN A 5 -17.293 -13.293 4.031 1.00 0.00 N ATOM 69 CA GLN A 5 -17.211 -11.849 3.793 1.00 0.00 C ATOM 70 C GLN A 5 -15.742 -11.433 3.829 1.00 0.00 C ATOM 71 O GLN A 5 -14.994 -11.996 4.633 1.00 0.00 O ATOM 72 CB GLN A 5 -17.985 -11.047 4.853 1.00 0.00 C ATOM 73 CG GLN A 5 -19.373 -10.629 4.364 1.00 0.00 C ATOM 74 CD GLN A 5 -20.292 -11.821 4.152 1.00 0.00 C ATOM 75 OE1 GLN A 5 -20.873 -12.330 5.109 1.00 0.00 O ATOM 76 NE2 GLN A 5 -20.435 -12.296 2.927 1.00 0.00 N ATOM 0 H GLN A 5 -17.702 -13.556 4.928 1.00 0.00 H new ATOM 0 HA GLN A 5 -17.658 -11.637 2.822 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -18.086 -11.647 5.757 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -17.414 -10.158 5.122 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -19.822 -9.951 5.089 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -19.276 -10.077 3.429 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -19.943 -11.857 2.149 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -21.038 -13.102 2.760 1.00 0.00 H new ATOM 85 N PRO A 6 -15.339 -10.426 3.035 1.00 0.00 N ATOM 86 CA PRO A 6 -13.971 -9.951 3.016 1.00 0.00 C ATOM 87 C PRO A 6 -13.633 -9.241 4.318 1.00 0.00 C ATOM 88 O PRO A 6 -14.501 -8.941 5.142 1.00 0.00 O ATOM 89 CB PRO A 6 -13.878 -9.044 1.789 1.00 0.00 C ATOM 90 CG PRO A 6 -15.279 -8.445 1.699 1.00 0.00 C ATOM 91 CD PRO A 6 -16.168 -9.600 2.171 1.00 0.00 C ATOM 0 HA PRO A 6 -13.242 -10.758 2.943 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.117 -8.274 1.913 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.620 -9.605 0.891 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -15.385 -7.566 2.335 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -15.523 -8.135 0.683 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -17.039 -9.226 2.710 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -16.541 -10.175 1.324 1.00 0.00 H new ATOM 99 N ILE A 7 -12.341 -8.993 4.507 1.00 0.00 N ATOM 100 CA ILE A 7 -11.795 -8.521 5.766 1.00 0.00 C ATOM 101 C ILE A 7 -11.966 -7.007 5.798 1.00 0.00 C ATOM 102 O ILE A 7 -11.052 -6.249 5.480 1.00 0.00 O ATOM 103 CB ILE A 7 -10.368 -9.080 5.953 1.00 0.00 C ATOM 104 CG1 ILE A 7 -10.438 -10.631 5.992 1.00 0.00 C ATOM 105 CG2 ILE A 7 -9.782 -8.523 7.257 1.00 0.00 C ATOM 106 CD1 ILE A 7 -9.078 -11.325 5.934 1.00 0.00 C ATOM 0 H ILE A 7 -11.638 -9.117 3.778 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.323 -8.892 6.645 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.724 -8.780 5.126 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.950 -10.937 6.904 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -11.045 -10.977 5.155 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.774 -8.912 7.398 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.747 -7.435 7.205 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.409 -8.826 8.096 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -9.219 -12.405 5.966 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -8.570 -11.053 5.009 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.473 -11.013 6.785 1.00 0.00 H new ATOM 118 N ASP A 8 -13.202 -6.606 6.101 1.00 0.00 N ATOM 119 CA ASP A 8 -13.798 -5.280 5.943 1.00 0.00 C ATOM 120 C ASP A 8 -13.428 -4.611 4.616 1.00 0.00 C ATOM 121 O ASP A 8 -13.359 -3.387 4.525 1.00 0.00 O ATOM 122 CB ASP A 8 -13.525 -4.395 7.172 1.00 0.00 C ATOM 123 CG ASP A 8 -14.829 -3.861 7.773 1.00 0.00 C ATOM 124 OD1 ASP A 8 -15.546 -4.676 8.402 1.00 0.00 O ATOM 125 OD2 ASP A 8 -15.120 -2.653 7.671 1.00 0.00 O ATOM 0 H ASP A 8 -13.872 -7.263 6.500 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.878 -5.417 5.890 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.984 -4.970 7.924 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.885 -3.560 6.887 1.00 0.00 H new ATOM 130 N LEU A 9 -13.082 -5.408 3.599 1.00 0.00 N ATOM 131 CA LEU A 9 -12.283 -4.915 2.509 1.00 0.00 C ATOM 132 C LEU A 9 -13.202 -4.306 1.477 1.00 0.00 C ATOM 133 O LEU A 9 -14.083 -4.977 0.931 1.00 0.00 O ATOM 134 CB LEU A 9 -11.410 -6.022 1.926 1.00 0.00 C ATOM 135 CG LEU A 9 -10.172 -5.399 1.278 1.00 0.00 C ATOM 136 CD1 LEU A 9 -9.135 -4.932 2.298 1.00 0.00 C ATOM 137 CD2 LEU A 9 -9.494 -6.448 0.425 1.00 0.00 C ATOM 0 H LEU A 9 -13.349 -6.390 3.522 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.598 -4.145 2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.113 -6.718 2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.972 -6.594 1.188 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.517 -4.537 0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.281 -4.500 1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.580 -4.181 2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.804 -5.782 2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.609 -6.019 -0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.201 -7.291 1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.183 -6.791 -0.347 1.00 0.00 H new ATOM 149 N VAL A 10 -12.980 -3.034 1.208 1.00 0.00 N ATOM 150 CA VAL A 10 -13.891 -2.185 0.464 1.00 0.00 C ATOM 151 C VAL A 10 -13.075 -1.406 -0.559 1.00 0.00 C ATOM 152 O VAL A 10 -12.027 -0.861 -0.212 1.00 0.00 O ATOM 153 CB VAL A 10 -14.735 -1.301 1.406 1.00 0.00 C ATOM 154 CG1 VAL A 10 -15.860 -2.131 2.043 1.00 0.00 C ATOM 155 CG2 VAL A 10 -13.980 -0.587 2.531 1.00 0.00 C ATOM 0 H VAL A 10 -12.136 -2.548 1.510 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.627 -2.781 -0.075 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.109 -0.514 0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -16.449 -1.497 2.706 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.503 -2.534 1.260 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.427 -2.951 2.616 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.681 0.002 3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.496 -1.325 3.170 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.225 0.072 2.102 1.00 0.00 H new ATOM 165 N PRO A 11 -13.474 -1.377 -1.843 1.00 0.00 N ATOM 166 CA PRO A 11 -12.735 -0.603 -2.815 1.00 0.00 C ATOM 167 C PRO A 11 -12.819 0.891 -2.483 1.00 0.00 C ATOM 168 O PRO A 11 -13.768 1.368 -1.853 1.00 0.00 O ATOM 169 CB PRO A 11 -13.312 -0.934 -4.185 1.00 0.00 C ATOM 170 CG PRO A 11 -14.521 -1.837 -3.938 1.00 0.00 C ATOM 171 CD PRO A 11 -14.673 -1.951 -2.424 1.00 0.00 C ATOM 0 HA PRO A 11 -11.674 -0.852 -2.803 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.606 -0.026 -4.712 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.572 -1.438 -4.807 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.419 -1.414 -4.388 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -14.371 -2.818 -4.388 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.562 -1.420 -2.083 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.789 -2.992 -2.123 1.00 0.00 H new ATOM 179 N THR A 12 -11.825 1.640 -2.945 1.00 0.00 N ATOM 180 CA THR A 12 -11.877 3.085 -3.061 1.00 0.00 C ATOM 181 C THR A 12 -10.923 3.459 -4.190 1.00 0.00 C ATOM 182 O THR A 12 -10.296 2.586 -4.813 1.00 0.00 O ATOM 183 CB THR A 12 -11.620 3.761 -1.694 1.00 0.00 C ATOM 184 OG1 THR A 12 -12.285 5.004 -1.634 1.00 0.00 O ATOM 185 CG2 THR A 12 -10.163 3.939 -1.276 1.00 0.00 C ATOM 0 H THR A 12 -10.938 1.244 -3.257 1.00 0.00 H new ATOM 0 HA THR A 12 -12.865 3.460 -3.328 1.00 0.00 H new ATOM 0 HB THR A 12 -12.023 3.049 -0.973 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.786 5.614 -1.051 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.121 4.424 -0.301 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.680 2.964 -1.217 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.646 4.556 -2.011 1.00 0.00 H new ATOM 193 N GLN A 13 -10.808 4.746 -4.474 1.00 0.00 N ATOM 194 CA GLN A 13 -10.068 5.275 -5.616 1.00 0.00 C ATOM 195 C GLN A 13 -9.364 6.582 -5.202 1.00 0.00 C ATOM 196 O GLN A 13 -9.748 7.170 -4.190 1.00 0.00 O ATOM 197 CB GLN A 13 -11.044 5.497 -6.786 1.00 0.00 C ATOM 198 CG GLN A 13 -11.739 4.236 -7.338 1.00 0.00 C ATOM 199 CD GLN A 13 -13.152 4.032 -6.792 1.00 0.00 C ATOM 200 OE1 GLN A 13 -13.427 3.150 -5.974 1.00 0.00 O ATOM 201 NE2 GLN A 13 -14.105 4.816 -7.257 1.00 0.00 N ATOM 0 H GLN A 13 -11.237 5.474 -3.903 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.303 4.570 -5.942 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -11.813 6.199 -6.463 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.500 5.973 -7.601 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.784 4.302 -8.425 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -11.134 3.362 -7.096 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -13.880 5.546 -7.933 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -15.067 4.693 -6.940 1.00 0.00 H new ATOM 210 N PRO A 14 -8.336 7.031 -5.948 1.00 0.00 N ATOM 211 CA PRO A 14 -7.491 8.150 -5.541 1.00 0.00 C ATOM 212 C PRO A 14 -8.222 9.492 -5.617 1.00 0.00 C ATOM 213 O PRO A 14 -9.193 9.654 -6.366 1.00 0.00 O ATOM 214 CB PRO A 14 -6.259 8.110 -6.459 1.00 0.00 C ATOM 215 CG PRO A 14 -6.738 7.330 -7.682 1.00 0.00 C ATOM 216 CD PRO A 14 -7.780 6.372 -7.113 1.00 0.00 C ATOM 0 HA PRO A 14 -7.203 8.054 -4.494 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.929 9.113 -6.729 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.416 7.617 -5.975 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.169 7.990 -8.435 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.919 6.793 -8.161 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.556 6.159 -7.848 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.327 5.418 -6.842 1.00 0.00 H new ATOM 224 N LEU A 15 -7.700 10.458 -4.856 1.00 0.00 N ATOM 225 CA LEU A 15 -8.159 11.842 -4.833 1.00 0.00 C ATOM 226 C LEU A 15 -7.746 12.558 -6.118 1.00 0.00 C ATOM 227 O LEU A 15 -6.654 12.304 -6.642 1.00 0.00 O ATOM 228 CB LEU A 15 -7.494 12.594 -3.673 1.00 0.00 C ATOM 229 CG LEU A 15 -8.088 12.296 -2.286 1.00 0.00 C ATOM 230 CD1 LEU A 15 -6.976 12.031 -1.269 1.00 0.00 C ATOM 231 CD2 LEU A 15 -8.947 13.466 -1.800 1.00 0.00 C ATOM 0 H LEU A 15 -6.921 10.289 -4.220 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.244 11.832 -4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.433 12.346 -3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.569 13.665 -3.862 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.713 11.407 -2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.417 11.822 -0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.385 11.174 -1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.333 12.908 -1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.357 13.233 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.334 14.365 -1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.763 13.635 -2.503 1.00 0.00 H new ATOM 243 N PRO A 16 -8.537 13.542 -6.567 1.00 0.00 N ATOM 244 CA PRO A 16 -8.167 14.409 -7.668 1.00 0.00 C ATOM 245 C PRO A 16 -7.063 15.357 -7.213 1.00 0.00 C ATOM 246 O PRO A 16 -7.037 15.782 -6.061 1.00 0.00 O ATOM 247 CB PRO A 16 -9.431 15.186 -8.015 1.00 0.00 C ATOM 248 CG PRO A 16 -10.223 15.223 -6.706 1.00 0.00 C ATOM 249 CD PRO A 16 -9.770 13.985 -5.942 1.00 0.00 C ATOM 0 HA PRO A 16 -7.793 13.856 -8.529 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.196 16.191 -8.367 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.995 14.694 -8.808 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.015 16.133 -6.143 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.297 15.202 -6.893 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.610 14.216 -4.889 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.529 13.204 -5.985 1.00 0.00 H new ATOM 257 N ASN A 17 -6.178 15.723 -8.138 1.00 0.00 N ATOM 258 CA ASN A 17 -4.965 16.547 -8.010 1.00 0.00 C ATOM 259 C ASN A 17 -4.030 16.222 -6.840 1.00 0.00 C ATOM 260 O ASN A 17 -3.053 16.944 -6.628 1.00 0.00 O ATOM 261 CB ASN A 17 -5.236 18.058 -8.123 1.00 0.00 C ATOM 262 CG ASN A 17 -5.401 18.818 -6.819 1.00 0.00 C ATOM 263 OD1 ASN A 17 -4.669 19.771 -6.564 1.00 0.00 O ATOM 264 ND2 ASN A 17 -6.377 18.489 -6.004 1.00 0.00 N ATOM 0 H ASN A 17 -6.302 15.419 -9.104 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.397 16.241 -8.889 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -4.415 18.511 -8.680 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.140 18.199 -8.716 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.532 19.026 -5.151 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -6.980 17.696 -6.224 1.00 0.00 H new ATOM 271 N ALA A 18 -4.260 15.118 -6.127 1.00 0.00 N ATOM 272 CA ALA A 18 -3.267 14.528 -5.249 1.00 0.00 C ATOM 273 C ALA A 18 -1.996 14.275 -6.053 1.00 0.00 C ATOM 274 O ALA A 18 -2.061 13.963 -7.249 1.00 0.00 O ATOM 275 CB ALA A 18 -3.817 13.261 -4.600 1.00 0.00 C ATOM 0 H ALA A 18 -5.145 14.612 -6.147 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.023 15.208 -4.433 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.060 12.830 -3.944 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.705 13.507 -4.017 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.079 12.540 -5.374 1.00 0.00 H new ATOM 281 N SER A 19 -0.858 14.420 -5.401 1.00 0.00 N ATOM 282 CA SER A 19 0.474 14.412 -5.960 1.00 0.00 C ATOM 283 C SER A 19 1.412 13.956 -4.851 1.00 0.00 C ATOM 284 O SER A 19 1.129 14.105 -3.660 1.00 0.00 O ATOM 285 CB SER A 19 0.822 15.817 -6.470 1.00 0.00 C ATOM 286 OG SER A 19 0.252 16.845 -5.689 1.00 0.00 O ATOM 0 H SER A 19 -0.844 14.557 -4.390 1.00 0.00 H new ATOM 0 HA SER A 19 0.560 13.737 -6.811 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.906 15.935 -6.481 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.480 15.919 -7.500 1.00 0.00 H new ATOM 0 HG SER A 19 0.717 17.689 -5.869 1.00 0.00 H new ATOM 292 N PHE A 20 2.499 13.300 -5.228 1.00 0.00 N ATOM 293 CA PHE A 20 3.370 12.659 -4.280 1.00 0.00 C ATOM 294 C PHE A 20 3.908 13.685 -3.299 1.00 0.00 C ATOM 295 O PHE A 20 4.396 14.747 -3.694 1.00 0.00 O ATOM 296 CB PHE A 20 4.484 11.898 -4.999 1.00 0.00 C ATOM 297 CG PHE A 20 5.459 11.191 -4.073 1.00 0.00 C ATOM 298 CD1 PHE A 20 5.034 10.583 -2.873 1.00 0.00 C ATOM 299 CD2 PHE A 20 6.822 11.173 -4.404 1.00 0.00 C ATOM 300 CE1 PHE A 20 5.978 10.076 -1.966 1.00 0.00 C ATOM 301 CE2 PHE A 20 7.762 10.639 -3.513 1.00 0.00 C ATOM 302 CZ PHE A 20 7.345 10.127 -2.271 1.00 0.00 C ATOM 0 H PHE A 20 2.794 13.202 -6.200 1.00 0.00 H new ATOM 0 HA PHE A 20 2.806 11.922 -3.709 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.034 11.161 -5.664 1.00 0.00 H new ATOM 0 HB3 PHE A 20 5.038 12.596 -5.626 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.980 10.507 -2.652 1.00 0.00 H new ATOM 0 HD2 PHE A 20 7.149 11.574 -5.352 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.650 9.646 -1.031 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.808 10.620 -3.780 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.074 9.775 -1.556 1.00 0.00 H new ATOM 312 N ASP A 21 3.779 13.351 -2.024 1.00 0.00 N ATOM 313 CA ASP A 21 4.172 14.175 -0.902 1.00 0.00 C ATOM 314 C ASP A 21 5.697 14.062 -0.696 1.00 0.00 C ATOM 315 O ASP A 21 6.406 13.501 -1.540 1.00 0.00 O ATOM 316 CB ASP A 21 3.368 13.660 0.304 1.00 0.00 C ATOM 317 CG ASP A 21 3.380 14.564 1.532 1.00 0.00 C ATOM 318 OD1 ASP A 21 2.517 15.463 1.602 1.00 0.00 O ATOM 319 OD2 ASP A 21 4.195 14.319 2.449 1.00 0.00 O ATOM 0 H ASP A 21 3.379 12.458 -1.736 1.00 0.00 H new ATOM 0 HA ASP A 21 3.962 15.233 -1.056 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.334 13.512 -0.007 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.758 12.683 0.589 1.00 0.00 H new ATOM 324 N ASN A 22 6.229 14.520 0.439 1.00 0.00 N ATOM 325 CA ASN A 22 7.512 14.037 0.944 1.00 0.00 C ATOM 326 C ASN A 22 7.222 12.996 2.028 1.00 0.00 C ATOM 327 O ASN A 22 7.836 13.001 3.097 1.00 0.00 O ATOM 328 CB ASN A 22 8.440 15.180 1.404 1.00 0.00 C ATOM 329 CG ASN A 22 9.322 15.672 0.267 1.00 0.00 C ATOM 330 OD1 ASN A 22 8.856 16.371 -0.635 1.00 0.00 O ATOM 331 ND2 ASN A 22 10.596 15.303 0.309 1.00 0.00 N ATOM 0 H ASN A 22 5.788 15.227 1.026 1.00 0.00 H new ATOM 0 HA ASN A 22 8.077 13.562 0.142 1.00 0.00 H new ATOM 0 HB2 ASN A 22 7.840 16.007 1.785 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.065 14.834 2.227 1.00 0.00 H new ATOM 0 HD21 ASN A 22 11.237 15.599 -0.427 1.00 0.00 H new ATOM 0 HD22 ASN A 22 10.934 14.723 1.077 1.00 0.00 H new ATOM 338 N PHE A 23 6.250 12.107 1.798 1.00 0.00 N ATOM 339 CA PHE A 23 6.082 10.970 2.679 1.00 0.00 C ATOM 340 C PHE A 23 7.171 9.968 2.312 1.00 0.00 C ATOM 341 O PHE A 23 7.344 9.621 1.142 1.00 0.00 O ATOM 342 CB PHE A 23 4.633 10.423 2.686 1.00 0.00 C ATOM 343 CG PHE A 23 4.197 9.530 1.530 1.00 0.00 C ATOM 344 CD1 PHE A 23 4.763 8.253 1.339 1.00 0.00 C ATOM 345 CD2 PHE A 23 3.188 9.960 0.651 1.00 0.00 C ATOM 346 CE1 PHE A 23 4.416 7.476 0.221 1.00 0.00 C ATOM 347 CE2 PHE A 23 2.829 9.174 -0.454 1.00 0.00 C ATOM 348 CZ PHE A 23 3.452 7.938 -0.687 1.00 0.00 C ATOM 0 H PHE A 23 5.587 12.158 1.025 1.00 0.00 H new ATOM 0 HA PHE A 23 6.212 11.249 3.725 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.492 9.864 3.611 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.955 11.276 2.723 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.470 7.868 2.059 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.687 10.900 0.827 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.893 6.520 0.060 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.065 9.524 -1.133 1.00 0.00 H new ATOM 0 HZ PHE A 23 3.192 7.350 -1.555 1.00 0.00 H new ATOM 358 N LYS A 24 7.914 9.506 3.311 1.00 0.00 N ATOM 359 CA LYS A 24 8.536 8.202 3.249 1.00 0.00 C ATOM 360 C LYS A 24 7.490 7.226 3.731 1.00 0.00 C ATOM 361 O LYS A 24 6.716 7.539 4.637 1.00 0.00 O ATOM 362 CB LYS A 24 9.777 8.164 4.144 1.00 0.00 C ATOM 363 CG LYS A 24 10.356 6.758 4.265 1.00 0.00 C ATOM 364 CD LYS A 24 11.847 6.679 4.633 1.00 0.00 C ATOM 365 CE LYS A 24 12.344 5.503 3.772 1.00 0.00 C ATOM 366 NZ LYS A 24 13.697 5.010 4.063 1.00 0.00 N ATOM 0 H LYS A 24 8.097 10.021 4.172 1.00 0.00 H new ATOM 0 HA LYS A 24 8.869 7.957 2.240 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.536 8.834 3.739 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.519 8.536 5.136 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.786 6.214 5.018 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.207 6.241 3.317 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.372 7.604 4.397 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.993 6.492 5.697 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.645 4.674 3.888 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.308 5.806 2.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.924 4.221 3.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.384 5.778 3.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.742 4.682 5.049 1.00 0.00 H new ATOM 380 N LEU A 25 7.516 6.022 3.181 1.00 0.00 N ATOM 381 CA LEU A 25 6.835 4.900 3.800 1.00 0.00 C ATOM 382 C LEU A 25 7.887 4.006 4.437 1.00 0.00 C ATOM 383 O LEU A 25 9.033 3.927 3.981 1.00 0.00 O ATOM 384 CB LEU A 25 5.868 4.220 2.813 1.00 0.00 C ATOM 385 CG LEU A 25 6.407 3.862 1.422 1.00 0.00 C ATOM 386 CD1 LEU A 25 7.260 2.594 1.456 1.00 0.00 C ATOM 387 CD2 LEU A 25 5.254 3.635 0.441 1.00 0.00 C ATOM 0 H LEU A 25 8.000 5.799 2.311 1.00 0.00 H new ATOM 0 HA LEU A 25 6.173 5.218 4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.503 3.304 3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.007 4.875 2.681 1.00 0.00 H new ATOM 0 HG LEU A 25 7.023 4.701 1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.624 2.373 0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.108 2.744 2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.658 1.760 1.816 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.656 3.382 -0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.628 2.818 0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.656 4.543 0.365 1.00 0.00 H new ATOM 399 N THR A 26 7.512 3.327 5.503 1.00 0.00 N ATOM 400 CA THR A 26 8.290 2.277 6.119 1.00 0.00 C ATOM 401 C THR A 26 7.364 1.067 6.168 1.00 0.00 C ATOM 402 O THR A 26 6.146 1.190 5.989 1.00 0.00 O ATOM 403 CB THR A 26 8.885 2.732 7.474 1.00 0.00 C ATOM 404 OG1 THR A 26 7.897 2.926 8.450 1.00 0.00 O ATOM 405 CG2 THR A 26 9.661 4.052 7.363 1.00 0.00 C ATOM 0 H THR A 26 6.626 3.499 5.978 1.00 0.00 H new ATOM 0 HA THR A 26 9.184 2.011 5.555 1.00 0.00 H new ATOM 0 HB THR A 26 9.555 1.923 7.763 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.386 3.736 8.242 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.057 4.325 8.341 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.485 3.932 6.659 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.993 4.838 7.010 1.00 0.00 H new ATOM 413 N CYS A 27 7.959 -0.101 6.327 1.00 0.00 N ATOM 414 CA CYS A 27 7.332 -1.390 6.515 1.00 0.00 C ATOM 415 C CYS A 27 8.421 -2.257 7.158 1.00 0.00 C ATOM 416 O CYS A 27 9.615 -1.951 7.033 1.00 0.00 O ATOM 417 CB CYS A 27 6.905 -2.003 5.171 1.00 0.00 C ATOM 418 SG CYS A 27 6.260 -0.905 3.860 1.00 0.00 S ATOM 0 H CYS A 27 8.976 -0.175 6.327 1.00 0.00 H new ATOM 0 HA CYS A 27 6.431 -1.315 7.123 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.766 -2.532 4.763 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.140 -2.751 5.379 1.00 0.00 H new ATOM 0 HG CYS A 27 6.005 0.267 4.362 1.00 0.00 H new ATOM 424 N SER A 28 8.022 -3.384 7.735 1.00 0.00 N ATOM 425 CA SER A 28 8.890 -4.418 8.279 1.00 0.00 C ATOM 426 C SER A 28 9.932 -4.857 7.264 1.00 0.00 C ATOM 427 O SER A 28 11.136 -4.729 7.498 1.00 0.00 O ATOM 428 CB SER A 28 8.016 -5.601 8.726 1.00 0.00 C ATOM 429 OG SER A 28 6.855 -5.736 7.919 1.00 0.00 O ATOM 0 H SER A 28 7.033 -3.612 7.841 1.00 0.00 H new ATOM 0 HA SER A 28 9.436 -4.021 9.135 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.599 -6.521 8.680 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.721 -5.462 9.766 1.00 0.00 H new ATOM 0 HG SER A 28 6.873 -6.603 7.462 1.00 0.00 H new ATOM 435 N ASN A 29 9.467 -5.396 6.138 1.00 0.00 N ATOM 436 CA ASN A 29 10.400 -5.967 5.177 1.00 0.00 C ATOM 437 C ASN A 29 11.118 -4.828 4.472 1.00 0.00 C ATOM 438 O ASN A 29 10.495 -4.080 3.714 1.00 0.00 O ATOM 439 CB ASN A 29 9.744 -6.901 4.159 1.00 0.00 C ATOM 440 CG ASN A 29 10.792 -7.660 3.341 1.00 0.00 C ATOM 441 OD1 ASN A 29 11.995 -7.417 3.409 1.00 0.00 O ATOM 442 ND2 ASN A 29 10.366 -8.613 2.544 1.00 0.00 N ATOM 0 H ASN A 29 8.482 -5.448 5.877 1.00 0.00 H new ATOM 0 HA ASN A 29 11.102 -6.591 5.729 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.100 -7.612 4.677 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.107 -6.323 3.490 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.032 -9.147 1.986 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.369 -8.819 2.483 1.00 0.00 H new ATOM 449 N THR A 30 12.422 -4.727 4.702 1.00 0.00 N ATOM 450 CA THR A 30 13.314 -3.756 4.096 1.00 0.00 C ATOM 451 C THR A 30 13.116 -3.713 2.577 1.00 0.00 C ATOM 452 O THR A 30 12.890 -2.632 2.033 1.00 0.00 O ATOM 453 CB THR A 30 14.759 -4.086 4.505 1.00 0.00 C ATOM 454 OG1 THR A 30 15.076 -5.434 4.200 1.00 0.00 O ATOM 455 CG2 THR A 30 14.959 -3.904 6.013 1.00 0.00 C ATOM 0 H THR A 30 12.905 -5.352 5.348 1.00 0.00 H new ATOM 0 HA THR A 30 13.084 -2.753 4.456 1.00 0.00 H new ATOM 0 HB THR A 30 15.405 -3.405 3.950 1.00 0.00 H new ATOM 0 HG1 THR A 30 16.000 -5.621 4.467 1.00 0.00 H new ATOM 0 HG21 THR A 30 15.989 -4.144 6.275 1.00 0.00 H new ATOM 0 HG22 THR A 30 14.746 -2.870 6.286 1.00 0.00 H new ATOM 0 HG23 THR A 30 14.283 -4.568 6.552 1.00 0.00 H new ATOM 463 N LYS A 31 13.111 -4.874 1.902 1.00 0.00 N ATOM 464 CA LYS A 31 12.857 -4.971 0.462 1.00 0.00 C ATOM 465 C LYS A 31 11.534 -4.319 0.120 1.00 0.00 C ATOM 466 O LYS A 31 11.499 -3.480 -0.766 1.00 0.00 O ATOM 467 CB LYS A 31 12.857 -6.437 -0.009 1.00 0.00 C ATOM 468 CG LYS A 31 12.427 -6.652 -1.481 1.00 0.00 C ATOM 469 CD LYS A 31 13.435 -6.130 -2.514 1.00 0.00 C ATOM 470 CE LYS A 31 14.723 -6.964 -2.493 1.00 0.00 C ATOM 471 NZ LYS A 31 15.676 -6.548 -3.540 1.00 0.00 N ATOM 0 H LYS A 31 13.285 -5.776 2.346 1.00 0.00 H new ATOM 0 HA LYS A 31 13.661 -4.448 -0.056 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.859 -6.846 0.124 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.191 -7.010 0.636 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.270 -7.717 -1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.469 -6.159 -1.644 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.992 -6.163 -3.509 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.669 -5.086 -2.304 1.00 0.00 H new ATOM 0 HE2 LYS A 31 15.197 -6.872 -1.516 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.474 -8.016 -2.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 16.530 -7.139 -3.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 15.235 -6.660 -4.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.936 -5.551 -3.397 1.00 0.00 H new ATOM 485 N PHE A 32 10.448 -4.727 0.775 1.00 0.00 N ATOM 486 CA PHE A 32 9.099 -4.299 0.432 1.00 0.00 C ATOM 487 C PHE A 32 8.975 -2.787 0.528 1.00 0.00 C ATOM 488 O PHE A 32 8.480 -2.162 -0.407 1.00 0.00 O ATOM 489 CB PHE A 32 8.111 -4.942 1.397 1.00 0.00 C ATOM 490 CG PHE A 32 6.645 -4.716 1.081 1.00 0.00 C ATOM 491 CD1 PHE A 32 6.058 -5.372 -0.013 1.00 0.00 C ATOM 492 CD2 PHE A 32 5.838 -3.925 1.918 1.00 0.00 C ATOM 493 CE1 PHE A 32 4.682 -5.247 -0.275 1.00 0.00 C ATOM 494 CE2 PHE A 32 4.470 -3.763 1.636 1.00 0.00 C ATOM 495 CZ PHE A 32 3.887 -4.434 0.546 1.00 0.00 C ATOM 0 H PHE A 32 10.484 -5.370 1.566 1.00 0.00 H new ATOM 0 HA PHE A 32 8.883 -4.605 -0.592 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.298 -6.016 1.419 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.311 -4.563 2.399 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.671 -5.980 -0.661 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.271 -3.440 2.781 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.239 -5.776 -1.106 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.865 -3.121 2.259 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.832 -4.324 0.342 1.00 0.00 H new ATOM 505 N ALA A 33 9.399 -2.215 1.657 1.00 0.00 N ATOM 506 CA ALA A 33 9.334 -0.782 1.887 1.00 0.00 C ATOM 507 C ALA A 33 10.278 -0.024 0.948 1.00 0.00 C ATOM 508 O ALA A 33 9.966 1.091 0.543 1.00 0.00 O ATOM 509 CB ALA A 33 9.666 -0.508 3.356 1.00 0.00 C ATOM 0 H ALA A 33 9.797 -2.740 2.436 1.00 0.00 H new ATOM 0 HA ALA A 33 8.328 -0.424 1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.621 0.565 3.545 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.945 -1.019 3.994 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.669 -0.874 3.577 1.00 0.00 H new ATOM 515 N ASP A 34 11.404 -0.622 0.561 1.00 0.00 N ATOM 516 CA ASP A 34 12.345 0.016 -0.364 1.00 0.00 C ATOM 517 C ASP A 34 11.747 0.006 -1.761 1.00 0.00 C ATOM 518 O ASP A 34 11.725 1.051 -2.394 1.00 0.00 O ATOM 519 CB ASP A 34 13.738 -0.641 -0.380 1.00 0.00 C ATOM 520 CG ASP A 34 14.720 -0.068 0.650 1.00 0.00 C ATOM 521 OD1 ASP A 34 14.416 0.926 1.349 1.00 0.00 O ATOM 522 OD2 ASP A 34 15.842 -0.621 0.771 1.00 0.00 O ATOM 0 H ASP A 34 11.689 -1.550 0.874 1.00 0.00 H new ATOM 0 HA ASP A 34 12.499 1.036 -0.013 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.624 -1.710 -0.200 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.168 -0.529 -1.375 1.00 0.00 H new ATOM 527 N ASP A 35 11.217 -1.132 -2.215 1.00 0.00 N ATOM 528 CA ASP A 35 10.519 -1.312 -3.486 1.00 0.00 C ATOM 529 C ASP A 35 9.386 -0.306 -3.601 1.00 0.00 C ATOM 530 O ASP A 35 9.189 0.323 -4.642 1.00 0.00 O ATOM 531 CB ASP A 35 9.901 -2.717 -3.605 1.00 0.00 C ATOM 532 CG ASP A 35 10.657 -3.689 -4.496 1.00 0.00 C ATOM 533 OD1 ASP A 35 11.124 -3.290 -5.594 1.00 0.00 O ATOM 534 OD2 ASP A 35 10.684 -4.895 -4.193 1.00 0.00 O ATOM 0 H ASP A 35 11.267 -1.997 -1.676 1.00 0.00 H new ATOM 0 HA ASP A 35 11.257 -1.172 -4.276 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.827 -3.148 -2.607 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.884 -2.617 -3.986 1.00 0.00 H new ATOM 539 N LEU A 36 8.592 -0.178 -2.540 1.00 0.00 N ATOM 540 CA LEU A 36 7.414 0.656 -2.578 1.00 0.00 C ATOM 541 C LEU A 36 7.846 2.135 -2.617 1.00 0.00 C ATOM 542 O LEU A 36 7.265 2.916 -3.370 1.00 0.00 O ATOM 543 CB LEU A 36 6.564 0.302 -1.352 1.00 0.00 C ATOM 544 CG LEU A 36 5.058 0.576 -1.423 1.00 0.00 C ATOM 545 CD1 LEU A 36 4.384 -0.037 -2.655 1.00 0.00 C ATOM 546 CD2 LEU A 36 4.446 -0.059 -0.166 1.00 0.00 C ATOM 0 H LEU A 36 8.751 -0.645 -1.647 1.00 0.00 H new ATOM 0 HA LEU A 36 6.810 0.488 -3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.702 -0.759 -1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.964 0.849 -0.498 1.00 0.00 H new ATOM 0 HG LEU A 36 4.901 1.653 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.319 0.196 -2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.834 0.375 -3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.519 -1.119 -2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.369 0.106 -0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.649 -1.130 -0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.885 0.396 0.722 1.00 0.00 H new ATOM 558 N ASN A 37 8.928 2.506 -1.903 1.00 0.00 N ATOM 559 CA ASN A 37 9.535 3.837 -1.985 1.00 0.00 C ATOM 560 C ASN A 37 10.230 4.052 -3.341 1.00 0.00 C ATOM 561 O ASN A 37 10.482 5.185 -3.753 1.00 0.00 O ATOM 562 CB ASN A 37 10.582 4.024 -0.869 1.00 0.00 C ATOM 563 CG ASN A 37 10.038 4.493 0.473 1.00 0.00 C ATOM 564 OD1 ASN A 37 9.339 5.492 0.592 1.00 0.00 O ATOM 565 ND2 ASN A 37 10.403 3.801 1.536 1.00 0.00 N ATOM 0 H ASN A 37 9.403 1.882 -1.251 1.00 0.00 H new ATOM 0 HA ASN A 37 8.731 4.564 -1.871 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.100 3.077 -0.719 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.326 4.744 -1.211 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.103 4.097 2.465 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.985 2.970 1.429 1.00 0.00 H new ATOM 572 N GLN A 38 10.602 2.986 -4.045 1.00 0.00 N ATOM 573 CA GLN A 38 11.304 3.032 -5.305 1.00 0.00 C ATOM 574 C GLN A 38 10.303 3.333 -6.422 1.00 0.00 C ATOM 575 O GLN A 38 10.679 3.956 -7.419 1.00 0.00 O ATOM 576 CB GLN A 38 11.998 1.681 -5.489 1.00 0.00 C ATOM 577 CG GLN A 38 13.442 1.717 -4.989 1.00 0.00 C ATOM 578 CD GLN A 38 14.381 2.223 -6.067 1.00 0.00 C ATOM 579 OE1 GLN A 38 14.475 3.420 -6.311 1.00 0.00 O ATOM 580 NE2 GLN A 38 15.057 1.327 -6.760 1.00 0.00 N ATOM 0 H GLN A 38 10.411 2.034 -3.733 1.00 0.00 H new ATOM 0 HA GLN A 38 12.057 3.819 -5.330 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.445 0.911 -4.951 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.984 1.405 -6.543 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.510 2.360 -4.112 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.747 0.718 -4.676 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.964 0.335 -6.540 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.673 1.626 -7.516 1.00 0.00 H new ATOM 589 N MET A 39 9.027 2.960 -6.264 1.00 0.00 N ATOM 590 CA MET A 39 7.963 3.380 -7.145 1.00 0.00 C ATOM 591 C MET A 39 7.643 4.863 -6.959 1.00 0.00 C ATOM 592 O MET A 39 7.382 5.541 -7.959 1.00 0.00 O ATOM 593 CB MET A 39 6.734 2.546 -6.825 1.00 0.00 C ATOM 594 CG MET A 39 6.911 1.044 -7.082 1.00 0.00 C ATOM 595 SD MET A 39 5.771 0.006 -6.127 1.00 0.00 S ATOM 596 CE MET A 39 4.183 0.742 -6.579 1.00 0.00 C ATOM 0 H MET A 39 8.715 2.351 -5.508 1.00 0.00 H new ATOM 0 HA MET A 39 8.272 3.237 -8.180 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.469 2.696 -5.778 1.00 0.00 H new ATOM 0 HB3 MET A 39 5.897 2.909 -7.421 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.767 0.846 -8.144 1.00 0.00 H new ATOM 0 HG3 MET A 39 7.936 0.761 -6.841 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.631 1.000 -5.675 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.354 1.643 -7.169 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.605 0.028 -7.166 1.00 0.00 H new ATOM 606 N THR A 40 7.632 5.367 -5.718 1.00 0.00 N ATOM 607 CA THR A 40 7.297 6.765 -5.476 1.00 0.00 C ATOM 608 C THR A 40 8.389 7.717 -5.972 1.00 0.00 C ATOM 609 O THR A 40 8.088 8.870 -6.267 1.00 0.00 O ATOM 610 CB THR A 40 7.018 7.040 -3.986 1.00 0.00 C ATOM 611 OG1 THR A 40 8.085 6.615 -3.178 1.00 0.00 O ATOM 612 CG2 THR A 40 5.781 6.353 -3.424 1.00 0.00 C ATOM 0 H THR A 40 7.849 4.830 -4.879 1.00 0.00 H new ATOM 0 HA THR A 40 6.387 6.955 -6.046 1.00 0.00 H new ATOM 0 HB THR A 40 6.869 8.119 -3.960 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.751 6.156 -3.731 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.670 6.608 -2.370 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.900 6.685 -3.972 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.886 5.273 -3.527 1.00 0.00 H new ATOM 620 N GLY A 41 9.647 7.264 -6.044 1.00 0.00 N ATOM 621 CA GLY A 41 10.774 8.170 -6.225 1.00 0.00 C ATOM 622 C GLY A 41 11.119 8.899 -4.928 1.00 0.00 C ATOM 623 O GLY A 41 11.785 9.939 -4.977 1.00 0.00 O ATOM 0 H GLY A 41 9.903 6.279 -5.979 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.642 7.608 -6.570 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.536 8.898 -7.001 1.00 0.00 H new ATOM 627 N PHE A 42 10.672 8.366 -3.783 1.00 0.00 N ATOM 628 CA PHE A 42 10.814 8.940 -2.453 1.00 0.00 C ATOM 629 C PHE A 42 12.224 9.487 -2.215 1.00 0.00 C ATOM 630 O PHE A 42 13.222 8.792 -2.448 1.00 0.00 O ATOM 631 CB PHE A 42 10.417 7.895 -1.400 1.00 0.00 C ATOM 632 CG PHE A 42 11.092 8.155 -0.081 1.00 0.00 C ATOM 633 CD1 PHE A 42 10.781 9.329 0.623 1.00 0.00 C ATOM 634 CD2 PHE A 42 12.183 7.359 0.310 1.00 0.00 C ATOM 635 CE1 PHE A 42 11.608 9.751 1.667 1.00 0.00 C ATOM 636 CE2 PHE A 42 12.965 7.740 1.404 1.00 0.00 C ATOM 637 CZ PHE A 42 12.681 8.940 2.073 1.00 0.00 C ATOM 0 H PHE A 42 10.176 7.475 -3.767 1.00 0.00 H new ATOM 0 HA PHE A 42 10.142 9.794 -2.367 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.336 7.907 -1.265 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.683 6.900 -1.756 1.00 0.00 H new ATOM 0 HD1 PHE A 42 9.906 9.904 0.359 1.00 0.00 H new ATOM 0 HD2 PHE A 42 12.416 6.455 -0.234 1.00 0.00 H new ATOM 0 HE1 PHE A 42 11.424 10.695 2.159 1.00 0.00 H new ATOM 0 HE2 PHE A 42 13.782 7.115 1.732 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.294 9.244 2.909 1.00 0.00 H new ATOM 647 N THR A 43 12.314 10.729 -1.729 1.00 0.00 N ATOM 648 CA THR A 43 13.578 11.408 -1.541 1.00 0.00 C ATOM 649 C THR A 43 13.549 12.135 -0.206 1.00 0.00 C ATOM 650 O THR A 43 12.698 12.993 0.032 1.00 0.00 O ATOM 651 CB THR A 43 13.804 12.327 -2.747 1.00 0.00 C ATOM 652 OG1 THR A 43 13.831 11.569 -3.945 1.00 0.00 O ATOM 653 CG2 THR A 43 15.146 13.041 -2.641 1.00 0.00 C ATOM 0 H THR A 43 11.503 11.285 -1.457 1.00 0.00 H new ATOM 0 HA THR A 43 14.422 10.719 -1.497 1.00 0.00 H new ATOM 0 HB THR A 43 12.988 13.049 -2.759 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.933 11.226 -4.135 1.00 0.00 H new ATOM 0 HG21 THR A 43 15.284 13.687 -3.508 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.167 13.643 -1.733 1.00 0.00 H new ATOM 0 HG23 THR A 43 15.948 12.304 -2.607 1.00 0.00 H new ATOM 661 N LYS A 44 14.458 11.766 0.699 1.00 0.00 N ATOM 662 CA LYS A 44 14.644 12.485 1.942 1.00 0.00 C ATOM 663 C LYS A 44 15.016 13.953 1.659 1.00 0.00 C ATOM 664 O LYS A 44 15.565 14.269 0.597 1.00 0.00 O ATOM 665 CB LYS A 44 15.710 11.777 2.811 1.00 0.00 C ATOM 666 CG LYS A 44 15.130 10.776 3.828 1.00 0.00 C ATOM 667 CD LYS A 44 15.795 10.851 5.212 1.00 0.00 C ATOM 668 CE LYS A 44 15.232 9.823 6.214 1.00 0.00 C ATOM 669 NZ LYS A 44 13.857 10.114 6.677 1.00 0.00 N ATOM 0 H LYS A 44 15.078 10.964 0.584 1.00 0.00 H new ATOM 0 HA LYS A 44 13.709 12.487 2.502 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.406 11.252 2.157 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.285 12.532 3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.061 10.960 3.937 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.241 9.766 3.435 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.868 10.691 5.102 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.662 11.854 5.618 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.246 8.836 5.751 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.892 9.778 7.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.484 9.292 7.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.870 10.942 7.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.249 10.312 5.857 1.00 0.00 H new ATOM 683 N PRO A 45 14.823 14.839 2.642 1.00 0.00 N ATOM 684 CA PRO A 45 14.264 14.495 3.933 1.00 0.00 C ATOM 685 C PRO A 45 12.782 14.207 3.763 1.00 0.00 C ATOM 686 O PRO A 45 12.069 14.932 3.065 1.00 0.00 O ATOM 687 CB PRO A 45 14.479 15.699 4.826 1.00 0.00 C ATOM 688 CG PRO A 45 14.502 16.856 3.832 1.00 0.00 C ATOM 689 CD PRO A 45 15.115 16.256 2.569 1.00 0.00 C ATOM 0 HA PRO A 45 14.733 13.612 4.366 1.00 0.00 H new ATOM 0 HB2 PRO A 45 13.678 15.809 5.557 1.00 0.00 H new ATOM 0 HB3 PRO A 45 15.412 15.627 5.385 1.00 0.00 H new ATOM 0 HG2 PRO A 45 13.499 17.239 3.644 1.00 0.00 H new ATOM 0 HG3 PRO A 45 15.097 17.690 4.206 1.00 0.00 H new ATOM 0 HD2 PRO A 45 14.684 16.701 1.672 1.00 0.00 H new ATOM 0 HD3 PRO A 45 16.189 16.435 2.529 1.00 0.00 H new ATOM 697 N ALA A 46 12.332 13.085 4.325 1.00 0.00 N ATOM 698 CA ALA A 46 10.926 12.813 4.308 1.00 0.00 C ATOM 699 C ALA A 46 10.300 13.727 5.348 1.00 0.00 C ATOM 700 O ALA A 46 10.786 13.784 6.480 1.00 0.00 O ATOM 701 CB ALA A 46 10.673 11.353 4.626 1.00 0.00 C ATOM 0 H ALA A 46 12.912 12.380 4.780 1.00 0.00 H new ATOM 0 HA ALA A 46 10.490 12.999 3.327 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.601 11.158 4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.167 10.728 3.882 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.069 11.122 5.615 1.00 0.00 H new ATOM 707 N SER A 47 9.225 14.407 4.988 1.00 0.00 N ATOM 708 CA SER A 47 8.453 15.167 5.955 1.00 0.00 C ATOM 709 C SER A 47 7.811 14.234 6.991 1.00 0.00 C ATOM 710 O SER A 47 7.626 14.641 8.139 1.00 0.00 O ATOM 711 CB SER A 47 7.407 16.033 5.249 1.00 0.00 C ATOM 712 OG SER A 47 7.999 17.229 4.764 1.00 0.00 O ATOM 0 H SER A 47 8.867 14.448 4.034 1.00 0.00 H new ATOM 0 HA SER A 47 9.127 15.836 6.490 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.964 15.478 4.422 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.599 16.274 5.940 1.00 0.00 H new ATOM 0 HG SER A 47 7.318 17.772 4.314 1.00 0.00 H new ATOM 718 N ARG A 48 7.506 12.987 6.625 1.00 0.00 N ATOM 719 CA ARG A 48 6.814 12.012 7.467 1.00 0.00 C ATOM 720 C ARG A 48 7.254 10.607 7.092 1.00 0.00 C ATOM 721 O ARG A 48 7.873 10.417 6.043 1.00 0.00 O ATOM 722 CB ARG A 48 5.294 12.182 7.307 1.00 0.00 C ATOM 723 CG ARG A 48 4.875 12.050 5.835 1.00 0.00 C ATOM 724 CD ARG A 48 3.377 12.055 5.574 1.00 0.00 C ATOM 725 NE ARG A 48 2.666 13.077 6.359 1.00 0.00 N ATOM 726 CZ ARG A 48 2.451 14.354 6.011 1.00 0.00 C ATOM 727 NH1 ARG A 48 2.901 14.862 4.865 1.00 0.00 N ATOM 728 NH2 ARG A 48 1.784 15.150 6.837 1.00 0.00 N ATOM 0 H ARG A 48 7.742 12.617 5.704 1.00 0.00 H new ATOM 0 HA ARG A 48 7.069 12.179 8.514 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.776 11.432 7.904 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.992 13.157 7.688 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.326 12.868 5.273 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.291 11.124 5.439 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.198 12.228 4.513 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.968 11.072 5.810 1.00 0.00 H new ATOM 0 HE ARG A 48 2.298 12.783 7.264 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.428 14.275 4.219 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.718 15.838 4.633 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.440 14.789 7.727 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.615 16.123 6.582 1.00 0.00 H new ATOM 742 N GLU A 49 6.886 9.636 7.920 1.00 0.00 N ATOM 743 CA GLU A 49 7.306 8.242 7.843 1.00 0.00 C ATOM 744 C GLU A 49 6.116 7.387 8.289 1.00 0.00 C ATOM 745 O GLU A 49 5.860 7.245 9.484 1.00 0.00 O ATOM 746 CB GLU A 49 8.581 7.975 8.678 1.00 0.00 C ATOM 747 CG GLU A 49 9.848 8.455 7.943 1.00 0.00 C ATOM 748 CD GLU A 49 11.186 8.440 8.699 1.00 0.00 C ATOM 749 OE1 GLU A 49 11.228 8.498 9.956 1.00 0.00 O ATOM 750 OE2 GLU A 49 12.221 8.452 7.995 1.00 0.00 O ATOM 0 H GLU A 49 6.255 9.809 8.702 1.00 0.00 H new ATOM 0 HA GLU A 49 7.584 7.982 6.822 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.501 8.484 9.639 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.663 6.909 8.888 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.965 7.841 7.050 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.669 9.476 7.607 1.00 0.00 H new ATOM 757 N LEU A 50 5.347 6.881 7.323 1.00 0.00 N ATOM 758 CA LEU A 50 4.241 5.938 7.562 1.00 0.00 C ATOM 759 C LEU A 50 4.813 4.546 7.856 1.00 0.00 C ATOM 760 O LEU A 50 5.976 4.320 7.539 1.00 0.00 O ATOM 761 CB LEU A 50 3.342 5.814 6.318 1.00 0.00 C ATOM 762 CG LEU A 50 2.669 7.066 5.723 1.00 0.00 C ATOM 763 CD1 LEU A 50 2.238 8.083 6.773 1.00 0.00 C ATOM 764 CD2 LEU A 50 3.511 7.745 4.655 1.00 0.00 C ATOM 0 H LEU A 50 5.473 7.115 6.338 1.00 0.00 H new ATOM 0 HA LEU A 50 3.658 6.314 8.403 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.943 5.363 5.528 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.550 5.105 6.560 1.00 0.00 H new ATOM 0 HG LEU A 50 1.766 6.682 5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.772 8.938 6.282 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.523 7.622 7.454 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.110 8.418 7.335 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.982 8.619 4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.463 8.055 5.085 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.692 7.048 3.837 1.00 0.00 H new ATOM 776 N SER A 51 4.026 3.573 8.328 1.00 0.00 N ATOM 777 CA SER A 51 4.432 2.164 8.476 1.00 0.00 C ATOM 778 C SER A 51 3.352 1.229 7.939 1.00 0.00 C ATOM 779 O SER A 51 2.172 1.507 8.175 1.00 0.00 O ATOM 780 CB SER A 51 4.690 1.866 9.954 1.00 0.00 C ATOM 781 OG SER A 51 6.052 2.013 10.308 1.00 0.00 O ATOM 0 H SER A 51 3.065 3.744 8.626 1.00 0.00 H new ATOM 0 HA SER A 51 5.343 1.998 7.901 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.085 2.534 10.567 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.368 0.849 10.178 1.00 0.00 H new ATOM 0 HG SER A 51 6.548 2.387 9.550 1.00 0.00 H new ATOM 787 N VAL A 52 3.738 0.121 7.270 1.00 0.00 N ATOM 788 CA VAL A 52 2.770 -0.903 6.887 1.00 0.00 C ATOM 789 C VAL A 52 2.731 -2.006 7.950 1.00 0.00 C ATOM 790 O VAL A 52 3.727 -2.281 8.623 1.00 0.00 O ATOM 791 CB VAL A 52 3.161 -1.451 5.512 1.00 0.00 C ATOM 792 CG1 VAL A 52 2.325 -2.658 5.058 1.00 0.00 C ATOM 793 CG2 VAL A 52 3.003 -0.377 4.438 1.00 0.00 C ATOM 0 H VAL A 52 4.699 -0.076 6.992 1.00 0.00 H new ATOM 0 HA VAL A 52 1.767 -0.480 6.822 1.00 0.00 H new ATOM 0 HB VAL A 52 4.198 -1.768 5.627 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.664 -2.986 4.075 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.443 -3.472 5.773 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.274 -2.373 5.003 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.286 -0.787 3.469 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.965 -0.047 4.403 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.645 0.471 4.674 1.00 0.00 H new ATOM 803 N THR A 53 1.592 -2.692 8.052 1.00 0.00 N ATOM 804 CA THR A 53 1.376 -3.786 8.983 1.00 0.00 C ATOM 805 C THR A 53 0.666 -4.955 8.292 1.00 0.00 C ATOM 806 O THR A 53 -0.343 -4.763 7.617 1.00 0.00 O ATOM 807 CB THR A 53 0.678 -3.227 10.225 1.00 0.00 C ATOM 808 OG1 THR A 53 -0.362 -2.297 9.952 1.00 0.00 O ATOM 809 CG2 THR A 53 1.695 -2.496 11.111 1.00 0.00 C ATOM 0 H THR A 53 0.777 -2.492 7.472 1.00 0.00 H new ATOM 0 HA THR A 53 2.316 -4.219 9.325 1.00 0.00 H new ATOM 0 HB THR A 53 0.237 -4.098 10.710 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.082 -2.746 9.462 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.191 -2.101 11.993 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.475 -3.192 11.420 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.142 -1.675 10.550 1.00 0.00 H new ATOM 817 N PHE A 54 1.259 -6.153 8.355 1.00 0.00 N ATOM 818 CA PHE A 54 0.808 -7.336 7.625 1.00 0.00 C ATOM 819 C PHE A 54 -0.185 -8.102 8.465 1.00 0.00 C ATOM 820 O PHE A 54 0.185 -8.631 9.516 1.00 0.00 O ATOM 821 CB PHE A 54 1.985 -8.260 7.296 1.00 0.00 C ATOM 822 CG PHE A 54 3.112 -7.652 6.498 1.00 0.00 C ATOM 823 CD1 PHE A 54 2.901 -6.531 5.681 1.00 0.00 C ATOM 824 CD2 PHE A 54 4.389 -8.224 6.583 1.00 0.00 C ATOM 825 CE1 PHE A 54 3.975 -5.960 4.982 1.00 0.00 C ATOM 826 CE2 PHE A 54 5.459 -7.687 5.855 1.00 0.00 C ATOM 827 CZ PHE A 54 5.254 -6.532 5.078 1.00 0.00 C ATOM 0 H PHE A 54 2.084 -6.327 8.929 1.00 0.00 H new ATOM 0 HA PHE A 54 0.345 -7.003 6.696 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.395 -8.638 8.233 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.601 -9.119 6.746 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.912 -6.108 5.590 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.549 -9.085 7.215 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.819 -5.083 4.372 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.432 -8.155 5.890 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.084 -6.083 4.553 1.00 0.00 H new ATOM 837 N PHE A 55 -1.432 -8.177 8.005 1.00 0.00 N ATOM 838 CA PHE A 55 -2.487 -8.709 8.847 1.00 0.00 C ATOM 839 C PHE A 55 -2.178 -10.116 9.396 1.00 0.00 C ATOM 840 O PHE A 55 -1.560 -10.917 8.685 1.00 0.00 O ATOM 841 CB PHE A 55 -3.833 -8.695 8.114 1.00 0.00 C ATOM 842 CG PHE A 55 -4.923 -7.983 8.887 1.00 0.00 C ATOM 843 CD1 PHE A 55 -4.840 -6.601 9.117 1.00 0.00 C ATOM 844 CD2 PHE A 55 -5.985 -8.711 9.449 1.00 0.00 C ATOM 845 CE1 PHE A 55 -5.850 -5.939 9.834 1.00 0.00 C ATOM 846 CE2 PHE A 55 -6.978 -8.053 10.189 1.00 0.00 C ATOM 847 CZ PHE A 55 -6.925 -6.663 10.369 1.00 0.00 C ATOM 0 H PHE A 55 -1.727 -7.882 7.074 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.548 -8.048 9.712 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.707 -8.211 7.145 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.145 -9.721 7.920 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.995 -6.044 8.741 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.037 -9.781 9.311 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.799 -4.869 9.974 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.788 -8.620 10.623 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.706 -6.155 10.915 1.00 0.00 H new ATOM 857 N PRO A 56 -2.743 -10.488 10.557 1.00 0.00 N ATOM 858 CA PRO A 56 -3.259 -9.572 11.565 1.00 0.00 C ATOM 859 C PRO A 56 -2.124 -8.829 12.292 1.00 0.00 C ATOM 860 O PRO A 56 -1.486 -9.361 13.200 1.00 0.00 O ATOM 861 CB PRO A 56 -4.113 -10.436 12.494 1.00 0.00 C ATOM 862 CG PRO A 56 -3.398 -11.782 12.456 1.00 0.00 C ATOM 863 CD PRO A 56 -2.841 -11.863 11.030 1.00 0.00 C ATOM 0 HA PRO A 56 -3.858 -8.773 11.129 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.152 -10.027 13.504 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.141 -10.514 12.142 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.602 -11.833 13.199 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.082 -12.604 12.665 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.866 -12.349 11.019 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.497 -12.450 10.388 1.00 0.00 H new ATOM 871 N ASP A 57 -1.921 -7.577 11.899 1.00 0.00 N ATOM 872 CA ASP A 57 -1.100 -6.515 12.452 1.00 0.00 C ATOM 873 C ASP A 57 -1.763 -5.271 11.876 1.00 0.00 C ATOM 874 O ASP A 57 -2.051 -5.245 10.676 1.00 0.00 O ATOM 875 CB ASP A 57 0.351 -6.561 11.948 1.00 0.00 C ATOM 876 CG ASP A 57 1.247 -5.475 12.541 1.00 0.00 C ATOM 877 OD1 ASP A 57 0.745 -4.569 13.239 1.00 0.00 O ATOM 878 OD2 ASP A 57 2.454 -5.491 12.202 1.00 0.00 O ATOM 0 H ASP A 57 -2.400 -7.240 11.064 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.043 -6.570 13.539 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.776 -7.537 12.182 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.351 -6.466 10.862 1.00 0.00 H new ATOM 883 N LEU A 58 -2.097 -4.291 12.707 1.00 0.00 N ATOM 884 CA LEU A 58 -2.727 -3.052 12.306 1.00 0.00 C ATOM 885 C LEU A 58 -2.264 -1.925 13.233 1.00 0.00 C ATOM 886 O LEU A 58 -3.066 -1.072 13.619 1.00 0.00 O ATOM 887 CB LEU A 58 -4.251 -3.237 12.231 1.00 0.00 C ATOM 888 CG LEU A 58 -4.909 -3.959 13.429 1.00 0.00 C ATOM 889 CD1 LEU A 58 -6.394 -3.636 13.401 1.00 0.00 C ATOM 890 CD2 LEU A 58 -4.768 -5.497 13.388 1.00 0.00 C ATOM 0 H LEU A 58 -1.928 -4.345 13.712 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.421 -2.762 11.301 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.711 -2.254 12.128 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.485 -3.795 11.324 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.403 -3.612 14.330 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.890 -4.131 14.236 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.534 -2.558 13.484 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.825 -3.986 12.463 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.255 -5.930 14.262 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.238 -5.881 12.483 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.712 -5.766 13.391 1.00 0.00 H new ATOM 902 N ASN A 59 -0.978 -1.926 13.605 1.00 0.00 N ATOM 903 CA ASN A 59 -0.323 -0.821 14.316 1.00 0.00 C ATOM 904 C ASN A 59 0.119 0.299 13.375 1.00 0.00 C ATOM 905 O ASN A 59 0.562 1.353 13.834 1.00 0.00 O ATOM 906 CB ASN A 59 0.969 -1.293 15.007 1.00 0.00 C ATOM 907 CG ASN A 59 0.763 -2.295 16.116 1.00 0.00 C ATOM 908 OD1 ASN A 59 0.852 -1.972 17.297 1.00 0.00 O ATOM 909 ND2 ASN A 59 0.534 -3.536 15.752 1.00 0.00 N ATOM 0 H ASN A 59 -0.352 -2.709 13.417 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.068 -0.465 15.027 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.626 -1.733 14.257 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.486 -0.423 15.413 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.425 -4.263 16.459 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.465 -3.773 14.762 1.00 0.00 H new ATOM 916 N GLY A 60 0.106 0.035 12.072 1.00 0.00 N ATOM 917 CA GLY A 60 0.618 0.960 11.078 1.00 0.00 C ATOM 918 C GLY A 60 -0.424 2.006 10.723 1.00 0.00 C ATOM 919 O GLY A 60 -1.626 1.799 10.923 1.00 0.00 O ATOM 0 H GLY A 60 -0.262 -0.831 11.679 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.515 1.449 11.458 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.909 0.412 10.182 1.00 0.00 H new ATOM 923 N ASP A 61 0.039 3.094 10.107 1.00 0.00 N ATOM 924 CA ASP A 61 -0.850 4.061 9.455 1.00 0.00 C ATOM 925 C ASP A 61 -1.435 3.432 8.187 1.00 0.00 C ATOM 926 O ASP A 61 -2.503 3.825 7.717 1.00 0.00 O ATOM 927 CB ASP A 61 -0.076 5.339 9.102 1.00 0.00 C ATOM 928 CG ASP A 61 -0.896 6.635 9.114 1.00 0.00 C ATOM 929 OD1 ASP A 61 -2.095 6.680 8.765 1.00 0.00 O ATOM 930 OD2 ASP A 61 -0.280 7.694 9.419 1.00 0.00 O ATOM 0 H ASP A 61 1.029 3.330 10.045 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.659 4.325 10.136 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.751 5.447 9.804 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.361 5.216 8.111 1.00 0.00 H new ATOM 935 N VAL A 62 -0.749 2.414 7.660 1.00 0.00 N ATOM 936 CA VAL A 62 -1.138 1.617 6.520 1.00 0.00 C ATOM 937 C VAL A 62 -1.112 0.158 6.978 1.00 0.00 C ATOM 938 O VAL A 62 -0.367 -0.239 7.880 1.00 0.00 O ATOM 939 CB VAL A 62 -0.195 1.933 5.337 1.00 0.00 C ATOM 940 CG1 VAL A 62 -0.560 1.171 4.050 1.00 0.00 C ATOM 941 CG2 VAL A 62 -0.171 3.444 5.036 1.00 0.00 C ATOM 0 H VAL A 62 0.145 2.116 8.050 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.142 1.838 6.158 1.00 0.00 H new ATOM 0 HB VAL A 62 0.793 1.599 5.653 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.140 1.438 3.258 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.507 0.098 4.235 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.572 1.437 3.744 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.500 3.638 4.199 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.176 3.780 4.780 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.180 3.985 5.915 1.00 0.00 H new ATOM 951 N VAL A 63 -1.942 -0.655 6.343 1.00 0.00 N ATOM 952 CA VAL A 63 -2.102 -2.066 6.629 1.00 0.00 C ATOM 953 C VAL A 63 -1.844 -2.805 5.300 1.00 0.00 C ATOM 954 O VAL A 63 -1.709 -2.175 4.249 1.00 0.00 O ATOM 955 CB VAL A 63 -3.496 -2.249 7.280 1.00 0.00 C ATOM 956 CG1 VAL A 63 -3.753 -3.692 7.709 1.00 0.00 C ATOM 957 CG2 VAL A 63 -3.672 -1.372 8.546 1.00 0.00 C ATOM 0 H VAL A 63 -2.545 -0.334 5.585 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.402 -2.490 7.348 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.202 -1.951 6.505 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -4.743 -3.767 8.159 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.700 -4.345 6.838 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.000 -3.995 8.436 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.664 -1.535 8.966 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.916 -1.642 9.284 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.559 -0.321 8.279 1.00 0.00 H new ATOM 967 N ALA A 64 -1.712 -4.127 5.305 1.00 0.00 N ATOM 968 CA ALA A 64 -1.539 -4.940 4.110 1.00 0.00 C ATOM 969 C ALA A 64 -2.451 -6.157 4.208 1.00 0.00 C ATOM 970 O ALA A 64 -2.761 -6.618 5.310 1.00 0.00 O ATOM 971 CB ALA A 64 -0.078 -5.374 3.961 1.00 0.00 C ATOM 0 H ALA A 64 -1.723 -4.676 6.165 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.804 -4.355 3.229 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.031 -5.981 3.062 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.557 -4.492 3.883 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.218 -5.959 4.832 1.00 0.00 H new ATOM 977 N ILE A 65 -2.847 -6.680 3.050 1.00 0.00 N ATOM 978 CA ILE A 65 -3.754 -7.801 2.883 1.00 0.00 C ATOM 979 C ILE A 65 -3.089 -8.747 1.874 1.00 0.00 C ATOM 980 O ILE A 65 -2.352 -8.297 0.987 1.00 0.00 O ATOM 981 CB ILE A 65 -5.133 -7.264 2.437 1.00 0.00 C ATOM 982 CG1 ILE A 65 -5.765 -6.334 3.500 1.00 0.00 C ATOM 983 CG2 ILE A 65 -6.122 -8.379 2.064 1.00 0.00 C ATOM 984 CD1 ILE A 65 -6.267 -7.029 4.773 1.00 0.00 C ATOM 0 H ILE A 65 -2.523 -6.309 2.157 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.938 -8.358 3.802 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.936 -6.683 1.536 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.028 -5.583 3.784 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.601 -5.804 3.043 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.071 -7.937 1.760 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.715 -8.966 1.241 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.283 -9.026 2.926 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.690 -6.287 5.450 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.032 -7.760 4.511 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.435 -7.535 5.264 1.00 0.00 H new ATOM 996 N ASP A 66 -3.319 -10.055 1.992 1.00 0.00 N ATOM 997 CA ASP A 66 -2.726 -10.999 1.051 1.00 0.00 C ATOM 998 C ASP A 66 -3.473 -10.940 -0.285 1.00 0.00 C ATOM 999 O ASP A 66 -4.684 -10.724 -0.354 1.00 0.00 O ATOM 1000 CB ASP A 66 -2.697 -12.423 1.618 1.00 0.00 C ATOM 1001 CG ASP A 66 -1.611 -13.301 0.979 1.00 0.00 C ATOM 1002 OD1 ASP A 66 -1.547 -13.413 -0.265 1.00 0.00 O ATOM 1003 OD2 ASP A 66 -0.828 -13.917 1.745 1.00 0.00 O ATOM 0 H ASP A 66 -3.901 -10.477 2.716 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.689 -10.711 0.882 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.532 -12.376 2.694 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.670 -12.889 1.465 1.00 0.00 H new ATOM 1008 N TYR A 67 -2.747 -11.188 -1.366 1.00 0.00 N ATOM 1009 CA TYR A 67 -3.192 -11.302 -2.756 1.00 0.00 C ATOM 1010 C TYR A 67 -4.376 -12.258 -2.934 1.00 0.00 C ATOM 1011 O TYR A 67 -5.138 -12.132 -3.888 1.00 0.00 O ATOM 1012 CB TYR A 67 -1.984 -11.782 -3.578 1.00 0.00 C ATOM 1013 CG TYR A 67 -2.274 -12.272 -4.970 1.00 0.00 C ATOM 1014 CD1 TYR A 67 -2.710 -13.597 -5.149 1.00 0.00 C ATOM 1015 CD2 TYR A 67 -2.086 -11.408 -6.065 1.00 0.00 C ATOM 1016 CE1 TYR A 67 -2.944 -14.077 -6.444 1.00 0.00 C ATOM 1017 CE2 TYR A 67 -2.344 -11.891 -7.366 1.00 0.00 C ATOM 1018 CZ TYR A 67 -2.754 -13.234 -7.561 1.00 0.00 C ATOM 1019 OH TYR A 67 -2.986 -13.746 -8.805 1.00 0.00 O ATOM 0 H TYR A 67 -1.740 -11.328 -1.290 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.551 -10.330 -3.094 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.270 -10.961 -3.647 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.494 -12.586 -3.028 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.863 -14.240 -4.295 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.750 -10.393 -5.912 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.271 -15.096 -6.589 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.229 -11.235 -8.216 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.817 -13.056 -9.480 1.00 0.00 H new ATOM 1029 N ARG A 68 -4.599 -13.180 -1.999 1.00 0.00 N ATOM 1030 CA ARG A 68 -5.758 -14.084 -1.949 1.00 0.00 C ATOM 1031 C ARG A 68 -7.090 -13.337 -1.830 1.00 0.00 C ATOM 1032 O ARG A 68 -8.166 -13.934 -1.901 1.00 0.00 O ATOM 1033 CB ARG A 68 -5.564 -15.038 -0.763 1.00 0.00 C ATOM 1034 CG ARG A 68 -4.142 -15.597 -0.749 1.00 0.00 C ATOM 1035 CD ARG A 68 -3.968 -16.989 -0.139 1.00 0.00 C ATOM 1036 NE ARG A 68 -2.567 -17.414 -0.285 1.00 0.00 N ATOM 1037 CZ ARG A 68 -1.749 -17.899 0.654 1.00 0.00 C ATOM 1038 NH1 ARG A 68 -2.208 -18.262 1.847 1.00 0.00 N ATOM 1039 NH2 ARG A 68 -0.459 -18.052 0.379 1.00 0.00 N ATOM 0 H ARG A 68 -3.954 -13.327 -1.222 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.810 -14.636 -2.887 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.763 -14.511 0.170 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.281 -15.856 -0.826 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.775 -15.625 -1.775 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.506 -14.901 -0.201 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.247 -16.974 0.915 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.629 -17.700 -0.634 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.170 -17.328 -1.221 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.202 -18.173 2.060 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.567 -18.630 2.550 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.101 -17.800 -0.542 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.173 -18.421 1.089 1.00 0.00 H new ATOM 1053 N HIS A 69 -7.001 -12.031 -1.636 1.00 0.00 N ATOM 1054 CA HIS A 69 -8.095 -11.072 -1.621 1.00 0.00 C ATOM 1055 C HIS A 69 -8.013 -10.007 -2.719 1.00 0.00 C ATOM 1056 O HIS A 69 -8.842 -9.099 -2.713 1.00 0.00 O ATOM 1057 CB HIS A 69 -8.229 -10.475 -0.205 1.00 0.00 C ATOM 1058 CG HIS A 69 -9.298 -11.131 0.625 1.00 0.00 C ATOM 1059 ND1 HIS A 69 -10.036 -12.241 0.279 1.00 0.00 N ATOM 1060 CD2 HIS A 69 -9.782 -10.660 1.815 1.00 0.00 C ATOM 1061 CE1 HIS A 69 -10.969 -12.411 1.217 1.00 0.00 C ATOM 1062 NE2 HIS A 69 -10.850 -11.481 2.188 1.00 0.00 N ATOM 0 H HIS A 69 -6.100 -11.582 -1.474 1.00 0.00 H new ATOM 0 HA HIS A 69 -9.011 -11.611 -1.864 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.273 -10.566 0.311 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -8.447 -9.410 -0.288 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -9.895 -12.826 -0.544 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.407 -9.810 2.365 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -11.719 -13.188 1.202 1.00 0.00 H new ATOM 1070 N TYR A 70 -7.091 -10.103 -3.683 1.00 0.00 N ATOM 1071 CA TYR A 70 -7.005 -9.200 -4.830 1.00 0.00 C ATOM 1072 C TYR A 70 -8.120 -9.511 -5.839 1.00 0.00 C ATOM 1073 O TYR A 70 -7.876 -9.894 -6.991 1.00 0.00 O ATOM 1074 CB TYR A 70 -5.600 -9.253 -5.449 1.00 0.00 C ATOM 1075 CG TYR A 70 -5.293 -8.318 -6.616 1.00 0.00 C ATOM 1076 CD1 TYR A 70 -6.228 -7.400 -7.148 1.00 0.00 C ATOM 1077 CD2 TYR A 70 -4.020 -8.416 -7.204 1.00 0.00 C ATOM 1078 CE1 TYR A 70 -5.887 -6.607 -8.259 1.00 0.00 C ATOM 1079 CE2 TYR A 70 -3.668 -7.628 -8.308 1.00 0.00 C ATOM 1080 CZ TYR A 70 -4.599 -6.709 -8.834 1.00 0.00 C ATOM 1081 OH TYR A 70 -4.258 -5.960 -9.921 1.00 0.00 O ATOM 0 H TYR A 70 -6.371 -10.825 -3.685 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.161 -8.173 -4.499 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -4.879 -9.047 -4.658 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.422 -10.275 -5.784 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.206 -7.307 -6.700 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.300 -9.111 -6.798 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.610 -5.920 -8.673 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.689 -7.724 -8.754 1.00 0.00 H new ATOM 0 HH TYR A 70 -3.334 -6.160 -10.179 1.00 0.00 H new ATOM 1091 N SER A 71 -9.357 -9.259 -5.428 1.00 0.00 N ATOM 1092 CA SER A 71 -10.523 -9.277 -6.278 1.00 0.00 C ATOM 1093 C SER A 71 -10.471 -8.117 -7.270 1.00 0.00 C ATOM 1094 O SER A 71 -9.941 -7.037 -6.979 1.00 0.00 O ATOM 1095 CB SER A 71 -11.776 -9.175 -5.400 1.00 0.00 C ATOM 1096 OG SER A 71 -11.722 -10.078 -4.312 1.00 0.00 O ATOM 0 H SER A 71 -9.575 -9.029 -4.458 1.00 0.00 H new ATOM 0 HA SER A 71 -10.551 -10.207 -6.846 1.00 0.00 H new ATOM 0 HB2 SER A 71 -11.876 -8.157 -5.024 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.661 -9.381 -6.002 1.00 0.00 H new ATOM 0 HG SER A 71 -12.534 -9.987 -3.771 1.00 0.00 H new ATOM 1102 N ALA A 72 -11.098 -8.306 -8.429 1.00 0.00 N ATOM 1103 CA ALA A 72 -11.238 -7.293 -9.466 1.00 0.00 C ATOM 1104 C ALA A 72 -12.139 -6.129 -9.031 1.00 0.00 C ATOM 1105 O ALA A 72 -12.174 -5.111 -9.723 1.00 0.00 O ATOM 1106 CB ALA A 72 -11.762 -7.956 -10.741 1.00 0.00 C ATOM 0 H ALA A 72 -11.534 -9.194 -8.677 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.257 -6.857 -9.656 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -11.870 -7.205 -11.524 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.059 -8.722 -11.068 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.731 -8.414 -10.541 1.00 0.00 H new ATOM 1112 N SER A 73 -12.825 -6.241 -7.889 1.00 0.00 N ATOM 1113 CA SER A 73 -13.464 -5.142 -7.176 1.00 0.00 C ATOM 1114 C SER A 73 -12.453 -4.016 -6.938 1.00 0.00 C ATOM 1115 O SER A 73 -12.730 -2.829 -7.128 1.00 0.00 O ATOM 1116 CB SER A 73 -13.994 -5.649 -5.819 1.00 0.00 C ATOM 1117 OG SER A 73 -14.184 -7.053 -5.767 1.00 0.00 O ATOM 0 H SER A 73 -12.953 -7.138 -7.421 1.00 0.00 H new ATOM 0 HA SER A 73 -14.291 -4.761 -7.774 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.296 -5.357 -5.035 1.00 0.00 H new ATOM 0 HB3 SER A 73 -14.941 -5.155 -5.602 1.00 0.00 H new ATOM 0 HG SER A 73 -14.519 -7.305 -4.881 1.00 0.00 H new ATOM 1123 N PHE A 74 -11.238 -4.395 -6.542 1.00 0.00 N ATOM 1124 CA PHE A 74 -10.250 -3.507 -5.963 1.00 0.00 C ATOM 1125 C PHE A 74 -9.250 -3.016 -7.010 1.00 0.00 C ATOM 1126 O PHE A 74 -8.158 -2.589 -6.647 1.00 0.00 O ATOM 1127 CB PHE A 74 -9.564 -4.238 -4.803 1.00 0.00 C ATOM 1128 CG PHE A 74 -10.508 -4.934 -3.821 1.00 0.00 C ATOM 1129 CD1 PHE A 74 -11.492 -4.212 -3.104 1.00 0.00 C ATOM 1130 CD2 PHE A 74 -10.387 -6.318 -3.600 1.00 0.00 C ATOM 1131 CE1 PHE A 74 -12.301 -4.861 -2.147 1.00 0.00 C ATOM 1132 CE2 PHE A 74 -11.239 -6.971 -2.691 1.00 0.00 C ATOM 1133 CZ PHE A 74 -12.194 -6.245 -1.965 1.00 0.00 C ATOM 0 H PHE A 74 -10.912 -5.358 -6.621 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.739 -2.611 -5.581 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.883 -4.982 -5.216 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.956 -3.521 -4.251 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.625 -3.157 -3.291 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.635 -6.883 -4.132 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -13.002 -4.291 -1.556 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.157 -8.039 -2.551 1.00 0.00 H new ATOM 0 HZ PHE A 74 -12.845 -6.752 -1.268 1.00 0.00 H new ATOM 1143 N LYS A 75 -9.559 -3.089 -8.312 1.00 0.00 N ATOM 1144 CA LYS A 75 -8.620 -2.786 -9.396 1.00 0.00 C ATOM 1145 C LYS A 75 -7.986 -1.393 -9.274 1.00 0.00 C ATOM 1146 O LYS A 75 -6.818 -1.224 -9.630 1.00 0.00 O ATOM 1147 CB LYS A 75 -9.296 -3.071 -10.752 1.00 0.00 C ATOM 1148 CG LYS A 75 -9.254 -1.920 -11.761 1.00 0.00 C ATOM 1149 CD LYS A 75 -9.398 -2.412 -13.199 1.00 0.00 C ATOM 1150 CE LYS A 75 -8.087 -3.036 -13.706 1.00 0.00 C ATOM 1151 NZ LYS A 75 -8.105 -3.267 -15.163 1.00 0.00 N ATOM 0 H LYS A 75 -10.483 -3.365 -8.645 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.760 -3.452 -9.318 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.819 -3.943 -11.200 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.338 -3.335 -10.571 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.054 -1.214 -11.538 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.313 -1.380 -11.655 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.200 -3.148 -13.256 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.682 -1.581 -13.844 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.254 -2.380 -13.454 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.915 -3.982 -13.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.201 -3.688 -15.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.883 -3.914 -15.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.243 -2.362 -15.656 1.00 0.00 H new ATOM 1165 N LYS A 76 -8.749 -0.397 -8.816 1.00 0.00 N ATOM 1166 CA LYS A 76 -8.298 0.984 -8.641 1.00 0.00 C ATOM 1167 C LYS A 76 -7.863 1.250 -7.187 1.00 0.00 C ATOM 1168 O LYS A 76 -7.448 2.361 -6.846 1.00 0.00 O ATOM 1169 CB LYS A 76 -9.394 1.931 -9.154 1.00 0.00 C ATOM 1170 CG LYS A 76 -9.582 1.824 -10.679 1.00 0.00 C ATOM 1171 CD LYS A 76 -10.337 3.043 -11.223 1.00 0.00 C ATOM 1172 CE LYS A 76 -10.567 2.909 -12.736 1.00 0.00 C ATOM 1173 NZ LYS A 76 -11.651 3.784 -13.239 1.00 0.00 N ATOM 0 H LYS A 76 -9.724 -0.534 -8.550 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.403 1.171 -9.234 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.335 1.700 -8.656 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.138 2.958 -8.891 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.609 1.747 -11.165 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.132 0.914 -10.919 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.295 3.142 -10.712 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.770 3.950 -11.015 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.642 3.149 -13.261 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.807 1.872 -12.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.758 3.649 -14.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.543 3.541 -12.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.414 4.778 -13.044 1.00 0.00 H new ATOM 1187 N GLY A 77 -7.916 0.228 -6.333 1.00 0.00 N ATOM 1188 CA GLY A 77 -7.470 0.213 -4.954 1.00 0.00 C ATOM 1189 C GLY A 77 -8.595 -0.145 -3.996 1.00 0.00 C ATOM 1190 O GLY A 77 -9.733 -0.403 -4.417 1.00 0.00 O ATOM 0 H GLY A 77 -8.301 -0.673 -6.615 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.657 -0.505 -4.843 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.068 1.192 -4.692 1.00 0.00 H new ATOM 1194 N ALA A 78 -8.264 -0.179 -2.705 1.00 0.00 N ATOM 1195 CA ALA A 78 -9.156 -0.549 -1.616 1.00 0.00 C ATOM 1196 C ALA A 78 -8.661 0.006 -0.280 1.00 0.00 C ATOM 1197 O ALA A 78 -7.612 0.648 -0.196 1.00 0.00 O ATOM 1198 CB ALA A 78 -9.265 -2.078 -1.546 1.00 0.00 C ATOM 0 H ALA A 78 -7.327 0.061 -2.381 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.138 -0.119 -1.810 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.933 -2.358 -0.731 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.662 -2.458 -2.487 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.278 -2.505 -1.370 1.00 0.00 H new ATOM 1204 N LYS A 79 -9.439 -0.250 0.764 1.00 0.00 N ATOM 1205 CA LYS A 79 -9.210 0.101 2.155 1.00 0.00 C ATOM 1206 C LYS A 79 -9.817 -1.026 2.996 1.00 0.00 C ATOM 1207 O LYS A 79 -10.652 -1.786 2.503 1.00 0.00 O ATOM 1208 CB LYS A 79 -9.824 1.482 2.492 1.00 0.00 C ATOM 1209 CG LYS A 79 -11.003 1.887 1.583 1.00 0.00 C ATOM 1210 CD LYS A 79 -11.978 2.883 2.207 1.00 0.00 C ATOM 1211 CE LYS A 79 -13.289 2.876 1.406 1.00 0.00 C ATOM 1212 NZ LYS A 79 -13.719 4.242 1.043 1.00 0.00 N ATOM 0 H LYS A 79 -10.320 -0.751 0.647 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.145 0.197 2.369 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.164 1.473 3.528 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.045 2.241 2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.604 2.317 0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.553 0.989 1.302 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.172 2.618 3.246 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.544 3.883 2.208 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.158 2.284 0.500 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.070 2.393 1.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.746 4.251 0.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.483 4.897 1.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.230 4.541 0.175 1.00 0.00 H new ATOM 1226 N LEU A 80 -9.350 -1.152 4.231 1.00 0.00 N ATOM 1227 CA LEU A 80 -9.884 -1.958 5.322 1.00 0.00 C ATOM 1228 C LEU A 80 -10.818 -1.021 6.108 1.00 0.00 C ATOM 1229 O LEU A 80 -11.102 0.095 5.667 1.00 0.00 O ATOM 1230 CB LEU A 80 -8.690 -2.494 6.167 1.00 0.00 C ATOM 1231 CG LEU A 80 -8.808 -3.946 6.691 1.00 0.00 C ATOM 1232 CD1 LEU A 80 -7.447 -4.345 7.275 1.00 0.00 C ATOM 1233 CD2 LEU A 80 -9.855 -4.194 7.779 1.00 0.00 C ATOM 0 H LEU A 80 -8.512 -0.647 4.521 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.447 -2.833 4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.786 -2.422 5.563 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.555 -1.833 7.023 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.127 -4.535 5.831 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.499 -5.366 7.653 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.686 -4.284 6.497 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.188 -3.669 8.090 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.842 -5.246 8.063 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.627 -3.580 8.650 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.843 -3.933 7.400 1.00 0.00 H new ATOM 1245 N LEU A 81 -11.239 -1.456 7.297 1.00 0.00 N ATOM 1246 CA LEU A 81 -12.245 -0.861 8.178 1.00 0.00 C ATOM 1247 C LEU A 81 -12.219 0.655 8.173 1.00 0.00 C ATOM 1248 O LEU A 81 -13.227 1.307 7.913 1.00 0.00 O ATOM 1249 CB LEU A 81 -12.047 -1.418 9.596 1.00 0.00 C ATOM 1250 CG LEU A 81 -13.331 -1.344 10.452 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -13.437 -2.566 11.370 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -13.335 -0.084 11.321 1.00 0.00 C ATOM 0 H LEU A 81 -10.851 -2.307 7.703 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.231 -1.134 7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.718 -2.455 9.532 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.252 -0.862 10.092 1.00 0.00 H new ATOM 0 HG LEU A 81 -14.179 -1.319 9.768 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -14.348 -2.496 11.965 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.467 -3.473 10.766 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.572 -2.599 12.033 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -14.249 -0.054 11.914 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.471 -0.098 11.985 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.288 0.798 10.683 1.00 0.00 H new ATOM 1264 N HIS A 82 -11.049 1.207 8.471 1.00 0.00 N ATOM 1265 CA HIS A 82 -10.795 2.635 8.285 1.00 0.00 C ATOM 1266 C HIS A 82 -9.419 2.936 7.687 1.00 0.00 C ATOM 1267 O HIS A 82 -9.153 4.092 7.349 1.00 0.00 O ATOM 1268 CB HIS A 82 -11.030 3.388 9.604 1.00 0.00 C ATOM 1269 CG HIS A 82 -10.062 3.034 10.703 1.00 0.00 C ATOM 1270 ND1 HIS A 82 -9.119 3.873 11.252 1.00 0.00 N ATOM 1271 CD2 HIS A 82 -9.995 1.837 11.364 1.00 0.00 C ATOM 1272 CE1 HIS A 82 -8.501 3.197 12.231 1.00 0.00 C ATOM 1273 NE2 HIS A 82 -8.985 1.945 12.325 1.00 0.00 N ATOM 0 H HIS A 82 -10.256 0.686 8.845 1.00 0.00 H new ATOM 0 HA HIS A 82 -11.508 2.996 7.544 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -10.968 4.459 9.413 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -12.044 3.184 9.949 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -10.609 0.969 11.177 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -7.721 3.602 12.859 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -8.676 1.218 12.970 1.00 0.00 H new ATOM 1281 N LYS A 83 -8.539 1.940 7.528 1.00 0.00 N ATOM 1282 CA LYS A 83 -7.147 2.145 7.133 1.00 0.00 C ATOM 1283 C LYS A 83 -6.889 1.632 5.721 1.00 0.00 C ATOM 1284 O LYS A 83 -7.589 0.726 5.272 1.00 0.00 O ATOM 1285 CB LYS A 83 -6.227 1.478 8.161 1.00 0.00 C ATOM 1286 CG LYS A 83 -6.317 2.261 9.478 1.00 0.00 C ATOM 1287 CD LYS A 83 -5.021 2.243 10.282 1.00 0.00 C ATOM 1288 CE LYS A 83 -4.830 0.937 11.050 1.00 0.00 C ATOM 1289 NZ LYS A 83 -4.030 1.192 12.265 1.00 0.00 N ATOM 0 H LYS A 83 -8.780 0.959 7.672 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.933 3.214 7.116 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.523 0.440 8.317 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.199 1.466 7.798 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.587 3.294 9.260 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.119 1.844 10.086 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.177 2.392 9.609 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.020 3.077 10.984 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.799 0.517 11.321 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.329 0.202 10.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.871 0.297 12.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.114 1.606 11.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.541 1.853 12.884 1.00 0.00 H new ATOM 1303 N PRO A 84 -5.895 2.179 5.009 1.00 0.00 N ATOM 1304 CA PRO A 84 -5.614 1.779 3.646 1.00 0.00 C ATOM 1305 C PRO A 84 -4.864 0.449 3.650 1.00 0.00 C ATOM 1306 O PRO A 84 -4.235 0.084 4.647 1.00 0.00 O ATOM 1307 CB PRO A 84 -4.766 2.911 3.085 1.00 0.00 C ATOM 1308 CG PRO A 84 -3.994 3.425 4.296 1.00 0.00 C ATOM 1309 CD PRO A 84 -4.933 3.169 5.467 1.00 0.00 C ATOM 0 HA PRO A 84 -6.509 1.623 3.044 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -4.094 2.557 2.303 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.384 3.693 2.644 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.048 2.897 4.420 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -3.757 4.485 4.198 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.383 2.804 6.334 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.435 4.088 5.771 1.00 0.00 H new ATOM 1317 N ILE A 85 -4.886 -0.249 2.513 1.00 0.00 N ATOM 1318 CA ILE A 85 -4.312 -1.584 2.385 1.00 0.00 C ATOM 1319 C ILE A 85 -3.349 -1.604 1.201 1.00 0.00 C ATOM 1320 O ILE A 85 -3.464 -0.791 0.277 1.00 0.00 O ATOM 1321 CB ILE A 85 -5.422 -2.664 2.315 1.00 0.00 C ATOM 1322 CG1 ILE A 85 -6.207 -2.635 0.980 1.00 0.00 C ATOM 1323 CG2 ILE A 85 -6.373 -2.497 3.493 1.00 0.00 C ATOM 1324 CD1 ILE A 85 -5.756 -3.725 0.000 1.00 0.00 C ATOM 0 H ILE A 85 -5.306 0.101 1.652 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.732 -1.833 3.274 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.933 -3.637 2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.270 -2.756 1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.083 -1.658 0.512 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.153 -3.257 3.442 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.820 -2.607 4.426 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.828 -1.507 3.456 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.341 -3.655 -0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.700 -3.591 -0.233 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.906 -4.705 0.452 1.00 0.00 H new ATOM 1336 N VAL A 86 -2.454 -2.582 1.184 1.00 0.00 N ATOM 1337 CA VAL A 86 -1.609 -2.929 0.048 1.00 0.00 C ATOM 1338 C VAL A 86 -1.707 -4.436 -0.146 1.00 0.00 C ATOM 1339 O VAL A 86 -2.056 -5.150 0.797 1.00 0.00 O ATOM 1340 CB VAL A 86 -0.149 -2.472 0.249 1.00 0.00 C ATOM 1341 CG1 VAL A 86 -0.043 -0.943 0.222 1.00 0.00 C ATOM 1342 CG2 VAL A 86 0.519 -2.986 1.529 1.00 0.00 C ATOM 0 H VAL A 86 -2.290 -3.180 1.994 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.954 -2.409 -0.845 1.00 0.00 H new ATOM 0 HB VAL A 86 0.388 -2.918 -0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.996 -0.648 0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.396 -0.571 -0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.654 -0.522 1.021 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.542 -2.612 1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.040 -2.636 2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.531 -4.076 1.521 1.00 0.00 H new ATOM 1352 N TRP A 87 -1.388 -4.928 -1.344 1.00 0.00 N ATOM 1353 CA TRP A 87 -1.254 -6.360 -1.569 1.00 0.00 C ATOM 1354 C TRP A 87 0.178 -6.728 -1.168 1.00 0.00 C ATOM 1355 O TRP A 87 1.114 -6.212 -1.788 1.00 0.00 O ATOM 1356 CB TRP A 87 -1.656 -6.730 -3.014 1.00 0.00 C ATOM 1357 CG TRP A 87 -2.980 -6.184 -3.434 1.00 0.00 C ATOM 1358 CD1 TRP A 87 -3.195 -5.226 -4.357 1.00 0.00 C ATOM 1359 CD2 TRP A 87 -4.288 -6.530 -2.902 1.00 0.00 C ATOM 1360 NE1 TRP A 87 -4.544 -4.942 -4.430 1.00 0.00 N ATOM 1361 CE2 TRP A 87 -5.259 -5.705 -3.537 1.00 0.00 C ATOM 1362 CE3 TRP A 87 -4.749 -7.438 -1.928 1.00 0.00 C ATOM 1363 CZ2 TRP A 87 -6.615 -5.761 -3.211 1.00 0.00 C ATOM 1364 CZ3 TRP A 87 -6.112 -7.511 -1.602 1.00 0.00 C ATOM 1365 CH2 TRP A 87 -7.043 -6.667 -2.230 1.00 0.00 C ATOM 0 H TRP A 87 -1.219 -4.353 -2.170 1.00 0.00 H new ATOM 0 HA TRP A 87 -1.938 -6.951 -0.960 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -0.890 -6.365 -3.698 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -1.676 -7.816 -3.108 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -2.427 -4.752 -4.950 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -4.956 -4.256 -5.063 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.045 -8.085 -1.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -7.325 -5.116 -3.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -6.448 -8.222 -0.862 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -8.087 -6.716 -1.958 1.00 0.00 H new ATOM 1376 N HIS A 88 0.353 -7.552 -0.119 1.00 0.00 N ATOM 1377 CA HIS A 88 1.639 -8.175 0.192 1.00 0.00 C ATOM 1378 C HIS A 88 1.564 -9.655 -0.155 1.00 0.00 C ATOM 1379 O HIS A 88 0.605 -10.330 0.232 1.00 0.00 O ATOM 1380 CB HIS A 88 2.080 -7.972 1.649 1.00 0.00 C ATOM 1381 CG HIS A 88 1.430 -8.813 2.728 1.00 0.00 C ATOM 1382 ND1 HIS A 88 2.020 -9.878 3.373 1.00 0.00 N ATOM 1383 CD2 HIS A 88 0.204 -8.633 3.305 1.00 0.00 C ATOM 1384 CE1 HIS A 88 1.157 -10.351 4.281 1.00 0.00 C ATOM 1385 NE2 HIS A 88 0.037 -9.608 4.296 1.00 0.00 N ATOM 0 H HIS A 88 -0.394 -7.800 0.530 1.00 0.00 H new ATOM 0 HA HIS A 88 2.401 -7.683 -0.412 1.00 0.00 H new ATOM 0 HB2 HIS A 88 3.155 -8.146 1.697 1.00 0.00 H new ATOM 0 HB3 HIS A 88 1.915 -6.925 1.902 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.513 -7.870 3.042 1.00 0.00 H new ATOM 0 HE1 HIS A 88 1.336 -11.209 4.912 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.771 -9.730 4.906 1.00 0.00 H new ATOM 1393 N ILE A 89 2.498 -10.161 -0.946 1.00 0.00 N ATOM 1394 CA ILE A 89 2.652 -11.594 -1.164 1.00 0.00 C ATOM 1395 C ILE A 89 3.850 -11.925 -0.309 1.00 0.00 C ATOM 1396 O ILE A 89 4.919 -11.417 -0.608 1.00 0.00 O ATOM 1397 CB ILE A 89 2.924 -11.913 -2.652 1.00 0.00 C ATOM 1398 CG1 ILE A 89 1.652 -11.719 -3.495 1.00 0.00 C ATOM 1399 CG2 ILE A 89 3.423 -13.357 -2.844 1.00 0.00 C ATOM 1400 CD1 ILE A 89 1.951 -11.561 -4.985 1.00 0.00 C ATOM 0 H ILE A 89 3.172 -9.590 -1.456 1.00 0.00 H new ATOM 0 HA ILE A 89 1.761 -12.168 -0.910 1.00 0.00 H new ATOM 0 HB ILE A 89 3.699 -11.222 -2.983 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.991 -12.573 -3.350 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.117 -10.838 -3.140 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.603 -13.542 -3.903 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.350 -13.498 -2.288 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.670 -14.054 -2.477 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.017 -11.427 -5.531 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.589 -10.690 -5.138 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.461 -12.453 -5.350 1.00 0.00 H new ATOM 1412 N ASN A 90 3.725 -12.770 0.712 1.00 0.00 N ATOM 1413 CA ASN A 90 4.832 -13.283 1.522 1.00 0.00 C ATOM 1414 C ASN A 90 5.787 -12.201 2.052 1.00 0.00 C ATOM 1415 O ASN A 90 6.981 -12.438 2.178 1.00 0.00 O ATOM 1416 CB ASN A 90 5.551 -14.473 0.838 1.00 0.00 C ATOM 1417 CG ASN A 90 6.804 -14.260 0.020 1.00 0.00 C ATOM 1418 OD1 ASN A 90 7.776 -15.004 0.134 1.00 0.00 O ATOM 1419 ND2 ASN A 90 6.821 -13.328 -0.887 1.00 0.00 N ATOM 0 H ASN A 90 2.819 -13.130 1.010 1.00 0.00 H new ATOM 0 HA ASN A 90 4.373 -13.681 2.427 1.00 0.00 H new ATOM 0 HB2 ASN A 90 5.799 -15.189 1.622 1.00 0.00 H new ATOM 0 HB3 ASN A 90 4.822 -14.954 0.186 1.00 0.00 H new ATOM 0 HD21 ASN A 90 7.634 -13.221 -1.493 1.00 0.00 H new ATOM 0 HD22 ASN A 90 6.021 -12.704 -0.992 1.00 0.00 H new ATOM 1426 N GLN A 91 5.252 -11.007 2.386 1.00 0.00 N ATOM 1427 CA GLN A 91 5.991 -9.835 2.875 1.00 0.00 C ATOM 1428 C GLN A 91 6.781 -9.142 1.758 1.00 0.00 C ATOM 1429 O GLN A 91 7.678 -8.352 2.045 1.00 0.00 O ATOM 1430 CB GLN A 91 6.923 -10.187 4.042 1.00 0.00 C ATOM 1431 CG GLN A 91 6.251 -11.032 5.148 1.00 0.00 C ATOM 1432 CD GLN A 91 7.207 -12.041 5.748 1.00 0.00 C ATOM 1433 OE1 GLN A 91 7.267 -12.223 6.963 1.00 0.00 O ATOM 1434 NE2 GLN A 91 7.975 -12.725 4.929 1.00 0.00 N ATOM 0 H GLN A 91 4.250 -10.831 2.317 1.00 0.00 H new ATOM 0 HA GLN A 91 5.238 -9.136 3.240 1.00 0.00 H new ATOM 0 HB2 GLN A 91 7.784 -10.732 3.655 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.301 -9.265 4.483 1.00 0.00 H new ATOM 0 HG2 GLN A 91 5.879 -10.373 5.933 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.388 -11.552 4.733 1.00 0.00 H new ATOM 0 HE21 GLN A 91 7.917 -12.566 3.923 1.00 0.00 H new ATOM 0 HE22 GLN A 91 8.629 -13.415 5.299 1.00 0.00 H new ATOM 1443 N ALA A 92 6.506 -9.466 0.500 1.00 0.00 N ATOM 1444 CA ALA A 92 7.205 -9.007 -0.683 1.00 0.00 C ATOM 1445 C ALA A 92 6.207 -8.369 -1.657 1.00 0.00 C ATOM 1446 O ALA A 92 4.987 -8.525 -1.528 1.00 0.00 O ATOM 1447 CB ALA A 92 7.913 -10.211 -1.316 1.00 0.00 C ATOM 0 H ALA A 92 5.738 -10.097 0.270 1.00 0.00 H new ATOM 0 HA ALA A 92 7.946 -8.250 -0.428 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.447 -9.890 -2.210 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.621 -10.633 -0.603 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.175 -10.966 -1.586 1.00 0.00 H new ATOM 1453 N THR A 93 6.744 -7.675 -2.660 1.00 0.00 N ATOM 1454 CA THR A 93 5.998 -7.137 -3.784 1.00 0.00 C ATOM 1455 C THR A 93 6.584 -7.789 -5.039 1.00 0.00 C ATOM 1456 O THR A 93 7.758 -8.179 -5.072 1.00 0.00 O ATOM 1457 CB THR A 93 6.004 -5.590 -3.769 1.00 0.00 C ATOM 1458 OG1 THR A 93 5.135 -5.064 -4.747 1.00 0.00 O ATOM 1459 CG2 THR A 93 7.383 -4.955 -3.969 1.00 0.00 C ATOM 0 H THR A 93 7.742 -7.468 -2.709 1.00 0.00 H new ATOM 0 HA THR A 93 4.936 -7.377 -3.741 1.00 0.00 H new ATOM 0 HB THR A 93 5.666 -5.334 -2.765 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.158 -4.085 -4.713 1.00 0.00 H new ATOM 0 HG21 THR A 93 7.291 -3.869 -3.944 1.00 0.00 H new ATOM 0 HG22 THR A 93 8.052 -5.281 -3.173 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.789 -5.263 -4.933 1.00 0.00 H new ATOM 1467 N THR A 94 5.759 -7.958 -6.061 1.00 0.00 N ATOM 1468 CA THR A 94 6.098 -8.585 -7.326 1.00 0.00 C ATOM 1469 C THR A 94 5.434 -7.750 -8.421 1.00 0.00 C ATOM 1470 O THR A 94 4.628 -6.868 -8.126 1.00 0.00 O ATOM 1471 CB THR A 94 5.617 -10.052 -7.327 1.00 0.00 C ATOM 1472 OG1 THR A 94 4.202 -10.127 -7.329 1.00 0.00 O ATOM 1473 CG2 THR A 94 6.149 -10.861 -6.136 1.00 0.00 C ATOM 0 H THR A 94 4.788 -7.646 -6.027 1.00 0.00 H new ATOM 0 HA THR A 94 7.174 -8.616 -7.496 1.00 0.00 H new ATOM 0 HB THR A 94 6.019 -10.489 -8.241 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.924 -11.067 -7.331 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.775 -11.883 -6.194 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.239 -10.871 -6.161 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.811 -10.404 -5.206 1.00 0.00 H new ATOM 1481 N LYS A 95 5.702 -8.028 -9.695 1.00 0.00 N ATOM 1482 CA LYS A 95 5.108 -7.312 -10.823 1.00 0.00 C ATOM 1483 C LYS A 95 3.582 -7.242 -10.687 1.00 0.00 C ATOM 1484 O LYS A 95 2.980 -6.194 -10.930 1.00 0.00 O ATOM 1485 CB LYS A 95 5.545 -8.011 -12.125 1.00 0.00 C ATOM 1486 CG LYS A 95 6.070 -7.037 -13.183 1.00 0.00 C ATOM 1487 CD LYS A 95 4.967 -6.166 -13.801 1.00 0.00 C ATOM 1488 CE LYS A 95 5.574 -5.168 -14.786 1.00 0.00 C ATOM 1489 NZ LYS A 95 6.112 -5.825 -15.992 1.00 0.00 N ATOM 0 H LYS A 95 6.346 -8.767 -9.977 1.00 0.00 H new ATOM 0 HA LYS A 95 5.459 -6.280 -10.841 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.321 -8.741 -11.895 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.699 -8.563 -12.536 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.824 -6.392 -12.732 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.565 -7.601 -13.974 1.00 0.00 H new ATOM 0 HD2 LYS A 95 4.239 -6.796 -14.312 1.00 0.00 H new ATOM 0 HD3 LYS A 95 4.431 -5.633 -13.016 1.00 0.00 H new ATOM 0 HE2 LYS A 95 4.815 -4.443 -15.079 1.00 0.00 H new ATOM 0 HE3 LYS A 95 6.371 -4.613 -14.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 6.389 -5.102 -16.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 6.943 -6.395 -15.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 5.384 -6.442 -16.405 1.00 0.00 H new ATOM 1503 N THR A 96 2.969 -8.349 -10.274 1.00 0.00 N ATOM 1504 CA THR A 96 1.532 -8.479 -10.095 1.00 0.00 C ATOM 1505 C THR A 96 0.995 -7.567 -8.988 1.00 0.00 C ATOM 1506 O THR A 96 -0.087 -7.005 -9.161 1.00 0.00 O ATOM 1507 CB THR A 96 1.213 -9.953 -9.814 1.00 0.00 C ATOM 1508 OG1 THR A 96 1.843 -10.743 -10.798 1.00 0.00 O ATOM 1509 CG2 THR A 96 -0.284 -10.251 -9.867 1.00 0.00 C ATOM 0 H THR A 96 3.478 -9.204 -10.049 1.00 0.00 H new ATOM 0 HA THR A 96 1.031 -8.157 -11.008 1.00 0.00 H new ATOM 0 HB THR A 96 1.570 -10.179 -8.809 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.650 -11.689 -10.631 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.452 -11.308 -9.661 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.802 -9.649 -9.120 1.00 0.00 H new ATOM 0 HG23 THR A 96 -0.668 -10.009 -10.858 1.00 0.00 H new ATOM 1517 N THR A 97 1.709 -7.399 -7.870 1.00 0.00 N ATOM 1518 CA THR A 97 1.249 -6.568 -6.761 1.00 0.00 C ATOM 1519 C THR A 97 1.796 -5.139 -6.854 1.00 0.00 C ATOM 1520 O THR A 97 1.246 -4.249 -6.220 1.00 0.00 O ATOM 1521 CB THR A 97 1.562 -7.250 -5.417 1.00 0.00 C ATOM 1522 OG1 THR A 97 2.897 -7.696 -5.360 1.00 0.00 O ATOM 1523 CG2 THR A 97 0.673 -8.482 -5.218 1.00 0.00 C ATOM 0 H THR A 97 2.618 -7.835 -7.712 1.00 0.00 H new ATOM 0 HA THR A 97 0.165 -6.469 -6.827 1.00 0.00 H new ATOM 0 HB THR A 97 1.381 -6.504 -4.643 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.063 -8.123 -4.493 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.909 -8.951 -4.263 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.374 -8.180 -5.225 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.851 -9.193 -6.025 1.00 0.00 H new ATOM 1531 N PHE A 98 2.779 -4.876 -7.715 1.00 0.00 N ATOM 1532 CA PHE A 98 3.379 -3.579 -8.003 1.00 0.00 C ATOM 1533 C PHE A 98 2.324 -2.695 -8.650 1.00 0.00 C ATOM 1534 O PHE A 98 1.975 -1.645 -8.120 1.00 0.00 O ATOM 1535 CB PHE A 98 4.606 -3.766 -8.920 1.00 0.00 C ATOM 1536 CG PHE A 98 4.847 -2.662 -9.936 1.00 0.00 C ATOM 1537 CD1 PHE A 98 5.291 -1.398 -9.519 1.00 0.00 C ATOM 1538 CD2 PHE A 98 4.582 -2.890 -11.301 1.00 0.00 C ATOM 1539 CE1 PHE A 98 5.458 -0.362 -10.454 1.00 0.00 C ATOM 1540 CE2 PHE A 98 4.761 -1.860 -12.241 1.00 0.00 C ATOM 1541 CZ PHE A 98 5.197 -0.595 -11.814 1.00 0.00 C ATOM 0 H PHE A 98 3.206 -5.619 -8.268 1.00 0.00 H new ATOM 0 HA PHE A 98 3.725 -3.100 -7.087 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.493 -3.857 -8.294 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.495 -4.709 -9.456 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.505 -1.220 -8.475 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.240 -3.861 -11.627 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.787 0.613 -10.127 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.564 -2.041 -13.287 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.332 0.200 -12.533 1.00 0.00 H new ATOM 1551 N LYS A 99 1.786 -3.141 -9.789 1.00 0.00 N ATOM 1552 CA LYS A 99 0.759 -2.443 -10.558 1.00 0.00 C ATOM 1553 C LYS A 99 -0.357 -1.886 -9.671 1.00 0.00 C ATOM 1554 O LYS A 99 -0.607 -0.678 -9.760 1.00 0.00 O ATOM 1555 CB LYS A 99 0.207 -3.388 -11.635 1.00 0.00 C ATOM 1556 CG LYS A 99 0.870 -3.192 -13.011 1.00 0.00 C ATOM 1557 CD LYS A 99 -0.047 -2.430 -13.983 1.00 0.00 C ATOM 1558 CE LYS A 99 -0.366 -0.999 -13.519 1.00 0.00 C ATOM 1559 NZ LYS A 99 -1.725 -0.575 -13.923 1.00 0.00 N ATOM 0 H LYS A 99 2.064 -4.026 -10.212 1.00 0.00 H new ATOM 0 HA LYS A 99 1.216 -1.578 -11.038 1.00 0.00 H new ATOM 0 HB2 LYS A 99 0.351 -4.419 -11.313 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.867 -3.231 -11.731 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.805 -2.645 -12.889 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.122 -4.164 -13.435 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.427 -2.390 -14.964 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.979 -2.983 -14.102 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -0.276 -0.941 -12.434 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.368 -0.310 -13.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -1.899 0.395 -13.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.804 -0.605 -14.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -2.428 -1.216 -13.503 1.00 0.00 H new ATOM 1573 N PRO A 100 -1.054 -2.705 -8.864 1.00 0.00 N ATOM 1574 CA PRO A 100 -2.103 -2.207 -7.988 1.00 0.00 C ATOM 1575 C PRO A 100 -1.522 -1.360 -6.852 1.00 0.00 C ATOM 1576 O PRO A 100 -2.141 -0.360 -6.490 1.00 0.00 O ATOM 1577 CB PRO A 100 -2.843 -3.449 -7.493 1.00 0.00 C ATOM 1578 CG PRO A 100 -1.768 -4.526 -7.517 1.00 0.00 C ATOM 1579 CD PRO A 100 -0.946 -4.154 -8.745 1.00 0.00 C ATOM 0 HA PRO A 100 -2.790 -1.536 -8.504 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.246 -3.305 -6.491 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.682 -3.703 -8.141 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.165 -4.517 -6.609 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.197 -5.524 -7.604 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.093 -4.462 -8.629 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.328 -4.650 -9.637 1.00 0.00 H new ATOM 1587 N ASN A 101 -0.316 -1.656 -6.349 1.00 0.00 N ATOM 1588 CA ASN A 101 0.293 -0.864 -5.290 1.00 0.00 C ATOM 1589 C ASN A 101 0.509 0.582 -5.739 1.00 0.00 C ATOM 1590 O ASN A 101 0.376 1.485 -4.921 1.00 0.00 O ATOM 1591 CB ASN A 101 1.617 -1.480 -4.824 1.00 0.00 C ATOM 1592 CG ASN A 101 1.479 -2.216 -3.498 1.00 0.00 C ATOM 1593 OD1 ASN A 101 1.356 -1.580 -2.465 1.00 0.00 O ATOM 1594 ND2 ASN A 101 1.502 -3.539 -3.503 1.00 0.00 N ATOM 0 H ASN A 101 0.253 -2.442 -6.664 1.00 0.00 H new ATOM 0 HA ASN A 101 -0.397 -0.864 -4.446 1.00 0.00 H new ATOM 0 HB2 ASN A 101 1.981 -2.171 -5.584 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.365 -0.694 -4.724 1.00 0.00 H new ATOM 0 HD21 ASN A 101 1.416 -4.054 -2.627 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.606 -4.044 -4.383 1.00 0.00 H new ATOM 1601 N THR A 102 0.768 0.844 -7.031 1.00 0.00 N ATOM 1602 CA THR A 102 0.928 2.217 -7.522 1.00 0.00 C ATOM 1603 C THR A 102 -0.290 3.090 -7.177 1.00 0.00 C ATOM 1604 O THR A 102 -0.164 4.264 -6.842 1.00 0.00 O ATOM 1605 CB THR A 102 1.215 2.276 -9.035 1.00 0.00 C ATOM 1606 OG1 THR A 102 0.074 1.984 -9.834 1.00 0.00 O ATOM 1607 CG2 THR A 102 2.279 1.331 -9.565 1.00 0.00 C ATOM 0 H THR A 102 0.870 0.126 -7.748 1.00 0.00 H new ATOM 0 HA THR A 102 1.800 2.619 -7.006 1.00 0.00 H new ATOM 0 HB THR A 102 1.557 3.307 -9.120 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.081 1.016 -9.842 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.386 1.470 -10.641 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.230 1.542 -9.075 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.986 0.301 -9.360 1.00 0.00 H new ATOM 1615 N TRP A 103 -1.482 2.500 -7.242 1.00 0.00 N ATOM 1616 CA TRP A 103 -2.730 3.161 -6.902 1.00 0.00 C ATOM 1617 C TRP A 103 -2.782 3.487 -5.413 1.00 0.00 C ATOM 1618 O TRP A 103 -3.242 4.565 -5.050 1.00 0.00 O ATOM 1619 CB TRP A 103 -3.923 2.287 -7.287 1.00 0.00 C ATOM 1620 CG TRP A 103 -4.193 2.108 -8.740 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -3.660 1.168 -9.551 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -5.143 2.857 -9.548 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -4.237 1.270 -10.800 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -5.198 2.262 -10.837 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -5.992 3.954 -9.298 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -6.106 2.708 -11.806 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -6.871 4.439 -10.282 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -6.935 3.810 -11.535 1.00 0.00 C ATOM 0 H TRP A 103 -1.604 1.532 -7.538 1.00 0.00 H new ATOM 0 HA TRP A 103 -2.781 4.093 -7.464 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -3.776 1.301 -6.847 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -4.815 2.711 -6.827 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -2.903 0.452 -9.267 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -3.985 0.686 -11.597 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -5.967 4.432 -8.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -6.169 2.206 -12.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -7.496 5.295 -10.074 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -7.619 4.172 -12.288 1.00 0.00 H new ATOM 1639 N CYS A 104 -2.284 2.590 -4.550 1.00 0.00 N ATOM 1640 CA CYS A 104 -2.171 2.878 -3.127 1.00 0.00 C ATOM 1641 C CYS A 104 -1.289 4.110 -2.908 1.00 0.00 C ATOM 1642 O CYS A 104 -1.639 4.962 -2.107 1.00 0.00 O ATOM 1643 CB CYS A 104 -1.636 1.662 -2.354 1.00 0.00 C ATOM 1644 SG CYS A 104 -1.851 1.954 -0.572 1.00 0.00 S ATOM 0 H CYS A 104 -1.956 1.663 -4.819 1.00 0.00 H new ATOM 0 HA CYS A 104 -3.166 3.094 -2.738 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -2.169 0.760 -2.655 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -0.583 1.502 -2.585 1.00 0.00 H new ATOM 0 HG CYS A 104 -2.506 0.962 -0.046 1.00 0.00 H new ATOM 1650 N LEU A 105 -0.200 4.259 -3.689 1.00 0.00 N ATOM 1651 CA LEU A 105 0.661 5.426 -3.564 1.00 0.00 C ATOM 1652 C LEU A 105 -0.151 6.666 -3.905 1.00 0.00 C ATOM 1653 O LEU A 105 -0.114 7.632 -3.150 1.00 0.00 O ATOM 1654 CB LEU A 105 1.915 5.311 -4.448 1.00 0.00 C ATOM 1655 CG LEU A 105 2.758 4.056 -4.166 1.00 0.00 C ATOM 1656 CD1 LEU A 105 3.878 3.941 -5.198 1.00 0.00 C ATOM 1657 CD2 LEU A 105 3.292 4.038 -2.729 1.00 0.00 C ATOM 0 H LEU A 105 0.092 3.589 -4.401 1.00 0.00 H new ATOM 0 HA LEU A 105 1.021 5.497 -2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.611 5.306 -5.495 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.535 6.195 -4.300 1.00 0.00 H new ATOM 0 HG LEU A 105 2.117 3.180 -4.260 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.472 3.050 -4.993 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.447 3.868 -6.196 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.516 4.823 -5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.882 3.135 -2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.918 4.914 -2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.456 4.052 -2.030 1.00 0.00 H new ATOM 1669 N ARG A 106 -0.965 6.615 -4.965 1.00 0.00 N ATOM 1670 CA ARG A 106 -1.845 7.728 -5.334 1.00 0.00 C ATOM 1671 C ARG A 106 -2.909 8.055 -4.286 1.00 0.00 C ATOM 1672 O ARG A 106 -3.532 9.109 -4.387 1.00 0.00 O ATOM 1673 CB ARG A 106 -2.508 7.462 -6.690 1.00 0.00 C ATOM 1674 CG ARG A 106 -1.450 7.486 -7.789 1.00 0.00 C ATOM 1675 CD ARG A 106 -2.075 7.313 -9.174 1.00 0.00 C ATOM 1676 NE ARG A 106 -1.482 8.213 -10.171 1.00 0.00 N ATOM 1677 CZ ARG A 106 -1.973 9.386 -10.587 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -3.084 9.893 -10.066 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -1.360 10.077 -11.541 1.00 0.00 N ATOM 0 H ARG A 106 -1.032 5.809 -5.586 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.201 8.605 -5.398 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.012 6.495 -6.677 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.270 8.216 -6.888 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.905 8.429 -7.750 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.725 6.691 -7.614 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.949 6.281 -9.500 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.147 7.500 -9.112 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.603 7.912 -10.591 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.581 9.386 -9.333 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.440 10.789 -10.398 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.506 9.715 -11.965 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -1.743 10.970 -11.850 1.00 0.00 H new ATOM 1693 N CYS A 107 -3.154 7.172 -3.320 1.00 0.00 N ATOM 1694 CA CYS A 107 -4.016 7.445 -2.182 1.00 0.00 C ATOM 1695 C CYS A 107 -3.230 8.130 -1.052 1.00 0.00 C ATOM 1696 O CYS A 107 -3.810 8.893 -0.282 1.00 0.00 O ATOM 1697 CB CYS A 107 -4.595 6.112 -1.686 1.00 0.00 C ATOM 1698 SG CYS A 107 -6.222 6.372 -0.919 1.00 0.00 S ATOM 0 H CYS A 107 -2.752 6.235 -3.310 1.00 0.00 H new ATOM 0 HA CYS A 107 -4.818 8.118 -2.485 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -4.686 5.416 -2.520 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -3.915 5.659 -0.965 1.00 0.00 H new ATOM 0 HG CYS A 107 -6.695 5.233 -0.508 1.00 0.00 H new ATOM 1704 N LEU A 108 -1.935 7.818 -0.912 1.00 0.00 N ATOM 1705 CA LEU A 108 -1.049 8.380 0.108 1.00 0.00 C ATOM 1706 C LEU A 108 -0.547 9.769 -0.297 1.00 0.00 C ATOM 1707 O LEU A 108 -0.031 10.490 0.555 1.00 0.00 O ATOM 1708 CB LEU A 108 0.168 7.462 0.323 1.00 0.00 C ATOM 1709 CG LEU A 108 -0.135 6.040 0.818 1.00 0.00 C ATOM 1710 CD1 LEU A 108 1.100 5.150 0.654 1.00 0.00 C ATOM 1711 CD2 LEU A 108 -0.570 6.036 2.286 1.00 0.00 C ATOM 0 H LEU A 108 -1.465 7.150 -1.523 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.624 8.462 1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.712 7.388 -0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.835 7.940 1.040 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.955 5.650 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.873 4.144 1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.382 5.109 -0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.925 5.562 1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.776 5.013 2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.226 6.453 2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.471 6.639 2.400 1.00 0.00 H new ATOM 1723 N TRP A 109 -0.644 10.135 -1.580 1.00 0.00 N ATOM 1724 CA TRP A 109 -0.311 11.442 -2.113 1.00 0.00 C ATOM 1725 C TRP A 109 -1.146 12.533 -1.417 1.00 0.00 C ATOM 1726 O TRP A 109 -2.176 12.240 -0.809 1.00 0.00 O ATOM 1727 CB TRP A 109 -0.560 11.392 -3.629 1.00 0.00 C ATOM 1728 CG TRP A 109 0.388 10.641 -4.521 1.00 0.00 C ATOM 1729 CD1 TRP A 109 1.418 9.847 -4.154 1.00 0.00 C ATOM 1730 CD2 TRP A 109 0.375 10.595 -5.978 1.00 0.00 C ATOM 1731 NE1 TRP A 109 2.052 9.348 -5.271 1.00 0.00 N ATOM 1732 CE2 TRP A 109 1.448 9.774 -6.426 1.00 0.00 C ATOM 1733 CE3 TRP A 109 -0.461 11.143 -6.968 1.00 0.00 C ATOM 1734 CZ2 TRP A 109 1.694 9.527 -7.782 1.00 0.00 C ATOM 1735 CZ3 TRP A 109 -0.195 10.956 -8.336 1.00 0.00 C ATOM 1736 CH2 TRP A 109 0.866 10.127 -8.743 1.00 0.00 C ATOM 0 H TRP A 109 -0.973 9.492 -2.300 1.00 0.00 H new ATOM 0 HA TRP A 109 0.733 11.694 -1.927 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -1.553 10.968 -3.781 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -0.595 12.421 -3.986 1.00 0.00 H new ATOM 0 HD1 TRP A 109 1.703 9.635 -3.134 1.00 0.00 H new ATOM 0 HE1 TRP A 109 2.869 8.738 -5.242 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -1.325 11.719 -6.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 2.508 8.885 -8.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -0.807 11.450 -9.076 1.00 0.00 H new ATOM 0 HH2 TRP A 109 1.043 9.952 -9.794 1.00 0.00 H new ATOM 1747 N SER A 110 -0.718 13.789 -1.529 1.00 0.00 N ATOM 1748 CA SER A 110 -1.334 14.973 -0.937 1.00 0.00 C ATOM 1749 C SER A 110 -1.709 15.934 -2.069 1.00 0.00 C ATOM 1750 O SER A 110 -1.006 15.990 -3.072 1.00 0.00 O ATOM 1751 CB SER A 110 -0.314 15.640 -0.009 1.00 0.00 C ATOM 1752 OG SER A 110 0.100 14.787 1.044 1.00 0.00 O ATOM 0 H SER A 110 0.117 14.020 -2.067 1.00 0.00 H new ATOM 0 HA SER A 110 -2.225 14.707 -0.368 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.557 15.944 -0.590 1.00 0.00 H new ATOM 0 HB3 SER A 110 -0.749 16.547 0.412 1.00 0.00 H new ATOM 0 HG SER A 110 1.027 14.992 1.285 1.00 0.00 H new ATOM 1758 N THR A 111 -2.800 16.685 -1.972 1.00 0.00 N ATOM 1759 CA THR A 111 -3.240 17.616 -3.011 1.00 0.00 C ATOM 1760 C THR A 111 -2.314 18.837 -3.099 1.00 0.00 C ATOM 1761 O THR A 111 -2.535 19.831 -2.403 1.00 0.00 O ATOM 1762 CB THR A 111 -4.718 17.956 -2.755 1.00 0.00 C ATOM 1763 OG1 THR A 111 -4.960 18.209 -1.384 1.00 0.00 O ATOM 1764 CG2 THR A 111 -5.608 16.775 -3.155 1.00 0.00 C ATOM 0 H THR A 111 -3.415 16.666 -1.158 1.00 0.00 H new ATOM 0 HA THR A 111 -3.171 17.158 -3.998 1.00 0.00 H new ATOM 0 HB THR A 111 -4.946 18.843 -3.346 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.907 18.424 -1.253 1.00 0.00 H new ATOM 0 HG21 THR A 111 -6.652 17.027 -2.969 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.470 16.558 -4.214 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.336 15.899 -2.566 1.00 0.00 H new ATOM 1772 N LYS A 112 -1.266 18.799 -3.933 1.00 0.00 N ATOM 1773 CA LYS A 112 -0.278 19.862 -4.066 1.00 0.00 C ATOM 1774 C LYS A 112 -0.040 20.136 -5.557 1.00 0.00 C ATOM 1775 O LYS A 112 0.714 19.396 -6.200 1.00 0.00 O ATOM 1776 CB LYS A 112 1.000 19.527 -3.285 1.00 0.00 C ATOM 1777 CG LYS A 112 2.078 20.624 -3.375 1.00 0.00 C ATOM 1778 CD LYS A 112 1.708 21.918 -2.627 1.00 0.00 C ATOM 1779 CE LYS A 112 2.192 23.158 -3.390 1.00 0.00 C ATOM 1780 NZ LYS A 112 1.707 24.402 -2.760 1.00 0.00 N ATOM 0 H LYS A 112 -1.083 18.005 -4.547 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.650 20.785 -3.620 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.745 19.364 -2.238 1.00 0.00 H new ATOM 0 HB3 LYS A 112 1.412 18.591 -3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 112 3.013 20.236 -2.971 1.00 0.00 H new ATOM 0 HG3 LYS A 112 2.257 20.860 -4.424 1.00 0.00 H new ATOM 0 HD2 LYS A 112 0.627 21.968 -2.495 1.00 0.00 H new ATOM 0 HD3 LYS A 112 2.151 21.905 -1.631 1.00 0.00 H new ATOM 0 HE2 LYS A 112 3.282 23.165 -3.422 1.00 0.00 H new ATOM 0 HE3 LYS A 112 1.844 23.111 -4.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.051 25.222 -3.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 0.667 24.405 -2.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 2.060 24.457 -1.783 1.00 0.00 H new ATOM 1794 N PRO A 113 -0.690 21.159 -6.124 1.00 0.00 N ATOM 1795 CA PRO A 113 -0.500 21.590 -7.506 1.00 0.00 C ATOM 1796 C PRO A 113 0.906 22.181 -7.708 1.00 0.00 C ATOM 1797 O PRO A 113 1.704 22.251 -6.771 1.00 0.00 O ATOM 1798 CB PRO A 113 -1.621 22.611 -7.741 1.00 0.00 C ATOM 1799 CG PRO A 113 -1.868 23.197 -6.354 1.00 0.00 C ATOM 1800 CD PRO A 113 -1.621 22.026 -5.427 1.00 0.00 C ATOM 0 HA PRO A 113 -0.558 20.772 -8.224 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -1.321 23.379 -8.453 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -2.517 22.137 -8.142 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -1.193 24.026 -6.142 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -2.884 23.580 -6.255 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -1.206 22.361 -4.476 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -2.550 21.502 -5.203 1.00 0.00 H new ATOM 1808 N VAL A 114 1.211 22.628 -8.926 1.00 0.00 N ATOM 1809 CA VAL A 114 2.466 23.274 -9.306 1.00 0.00 C ATOM 1810 C VAL A 114 2.229 24.738 -9.703 1.00 0.00 C ATOM 1811 O VAL A 114 3.055 25.359 -10.367 1.00 0.00 O ATOM 1812 CB VAL A 114 3.151 22.442 -10.412 1.00 0.00 C ATOM 1813 CG1 VAL A 114 3.708 21.126 -9.853 1.00 0.00 C ATOM 1814 CG2 VAL A 114 2.227 22.121 -11.600 1.00 0.00 C ATOM 0 H VAL A 114 0.562 22.546 -9.708 1.00 0.00 H new ATOM 0 HA VAL A 114 3.145 23.306 -8.454 1.00 0.00 H new ATOM 0 HB VAL A 114 3.962 23.070 -10.780 1.00 0.00 H new ATOM 0 HG11 VAL A 114 4.184 20.562 -10.655 1.00 0.00 H new ATOM 0 HG12 VAL A 114 4.442 21.342 -9.076 1.00 0.00 H new ATOM 0 HG13 VAL A 114 2.894 20.537 -9.429 1.00 0.00 H new ATOM 0 HG21 VAL A 114 2.774 21.535 -12.338 1.00 0.00 H new ATOM 0 HG22 VAL A 114 1.367 21.551 -11.248 1.00 0.00 H new ATOM 0 HG23 VAL A 114 1.884 23.050 -12.056 1.00 0.00 H new ATOM 1824 N ASP A 115 1.076 25.284 -9.318 1.00 0.00 N ATOM 1825 CA ASP A 115 0.559 26.579 -9.768 1.00 0.00 C ATOM 1826 C ASP A 115 0.073 27.429 -8.584 1.00 0.00 C ATOM 1827 O ASP A 115 -0.579 28.459 -8.767 1.00 0.00 O ATOM 1828 CB ASP A 115 -0.560 26.318 -10.788 1.00 0.00 C ATOM 1829 CG ASP A 115 -1.076 27.584 -11.476 1.00 0.00 C ATOM 1830 OD1 ASP A 115 -0.448 28.085 -12.437 1.00 0.00 O ATOM 1831 OD2 ASP A 115 -2.201 28.023 -11.131 1.00 0.00 O ATOM 0 H ASP A 115 0.451 24.820 -8.659 1.00 0.00 H new ATOM 0 HA ASP A 115 1.354 27.154 -10.243 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -0.193 25.627 -11.547 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -1.391 25.825 -10.283 1.00 0.00 H new ATOM 1836 N THR A 116 0.318 27.009 -7.340 1.00 0.00 N ATOM 1837 CA THR A 116 -0.049 27.741 -6.135 1.00 0.00 C ATOM 1838 C THR A 116 0.973 27.424 -5.049 1.00 0.00 C ATOM 1839 O THR A 116 1.229 28.326 -4.219 1.00 0.00 O ATOM 1840 CB THR A 116 -1.511 27.417 -5.767 1.00 0.00 C ATOM 1841 OG1 THR A 116 -2.363 27.937 -6.776 1.00 0.00 O ATOM 1842 CG2 THR A 116 -1.971 28.038 -4.451 1.00 0.00 C ATOM 0 H THR A 116 0.790 26.126 -7.143 1.00 0.00 H new ATOM 0 HA THR A 116 -0.019 28.821 -6.280 1.00 0.00 H new ATOM 0 HB THR A 116 -1.562 26.332 -5.671 1.00 0.00 H new ATOM 0 HG1 THR A 116 -1.821 28.303 -7.506 1.00 0.00 H new ATOM 0 HG21 THR A 116 -3.009 27.764 -4.263 1.00 0.00 H new ATOM 0 HG22 THR A 116 -1.345 27.671 -3.637 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.887 29.123 -4.512 1.00 0.00 H new TER 1850 THR A 116