USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=32 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 97 THR OG1 : rot 180:sc= 0.0567 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0196 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 17 ASN : amide:sc= -0.589 X(o=-0.59,f=-0.28) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.386 K(o=0.39,f=-0.19) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -51:sc= 0.154 USER MOD Single : A 27 CYS SG : rot -18:sc= -2.26 USER MOD Single : A 28 SER OG : rot 124:sc= 0.775 USER MOD Single : A 29 ASN : amide:sc= -0.364 K(o=-0.36,f=-6.6!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0379 USER MOD Single : A 31 LYS NZ :NH3+ -165:sc= 1.32 (180deg=1.11) USER MOD Single : A 37 ASN : amide:sc= 0.405 K(o=0.4,f=-2.4) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 MET CE :methyl 146:sc= -1.92 (180deg=-3.9!) USER MOD Single : A 40 THR OG1 : rot -105:sc= 1.75 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 70:sc= 0.0721 USER MOD Single : A 59 ASN : amide:sc= 1.03 K(o=1,f=-0.0089) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= 0.219 K(o=0.22,f=-5.7!) 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= 0.0721 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 79 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0215) USER MOD Single : A 82 HIS : no HD1:sc= -0.0375 X(o=-0.037,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -122:sc= 1.26 (180deg=-0.038) USER MOD Single : A 88 HIS : no HD1:sc= -0.135 K(o=-0.13,f=-1.5) USER MOD Single : A 90 ASN : amide:sc= -0.0775 K(o=-0.077,f=-1.1) USER MOD Single : A 91 GLN : amide:sc= -0.0108 X(o=-0.011,f=0.079) USER MOD Single : A 94 THR OG1 : rot 180:sc=-0.00387 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0959 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 0.943 K(o=0.94,f=-1.8!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 CYS SG : rot 130:sc= 0.964 USER MOD Single : A 107 CYS SG : rot 180:sc= -0.663 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.0871 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.753 -23.296 -3.069 1.00 0.00 N ATOM 2 CA MET A 1 -18.738 -23.710 -1.658 1.00 0.00 C ATOM 3 C MET A 1 -18.766 -22.470 -0.765 1.00 0.00 C ATOM 4 O MET A 1 -19.873 -22.022 -0.451 1.00 0.00 O ATOM 5 CB MET A 1 -17.599 -24.698 -1.366 1.00 0.00 C ATOM 6 CG MET A 1 -18.042 -26.149 -1.561 1.00 0.00 C ATOM 7 SD MET A 1 -16.683 -27.336 -1.393 1.00 0.00 S ATOM 8 CE MET A 1 -17.522 -28.861 -1.903 1.00 0.00 C ATOM 0 H1 MET A 1 -18.734 -24.139 -3.678 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.617 -22.749 -3.261 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.919 -22.707 -3.267 1.00 0.00 H new ATOM 0 HA MET A 1 -19.639 -24.278 -1.424 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.755 -24.484 -2.022 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.250 -24.559 -0.343 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.817 -26.387 -0.832 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.490 -26.256 -2.549 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.821 -29.695 -1.856 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.362 -29.055 -1.236 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.888 -28.751 -2.924 1.00 0.00 H new ATOM 18 N TYR A 2 -17.620 -21.887 -0.385 1.00 0.00 N ATOM 19 CA TYR A 2 -17.576 -20.814 0.612 1.00 0.00 C ATOM 20 C TYR A 2 -18.321 -19.559 0.135 1.00 0.00 C ATOM 21 O TYR A 2 -18.394 -19.293 -1.066 1.00 0.00 O ATOM 22 CB TYR A 2 -16.115 -20.474 0.973 1.00 0.00 C ATOM 23 CG TYR A 2 -15.768 -20.617 2.445 1.00 0.00 C ATOM 24 CD1 TYR A 2 -16.366 -19.782 3.409 1.00 0.00 C ATOM 25 CD2 TYR A 2 -14.812 -21.568 2.854 1.00 0.00 C ATOM 26 CE1 TYR A 2 -16.004 -19.871 4.762 1.00 0.00 C ATOM 27 CE2 TYR A 2 -14.454 -21.671 4.210 1.00 0.00 C ATOM 28 CZ TYR A 2 -15.039 -20.816 5.168 1.00 0.00 C ATOM 29 OH TYR A 2 -14.677 -20.900 6.477 1.00 0.00 O ATOM 0 H TYR A 2 -16.706 -22.145 -0.758 1.00 0.00 H new ATOM 0 HA TYR A 2 -18.086 -21.175 1.506 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -15.454 -21.120 0.395 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -15.909 -19.449 0.664 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -17.113 -19.064 3.103 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -14.353 -22.219 2.125 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -16.463 -19.218 5.490 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -13.728 -22.408 4.520 1.00 0.00 H new ATOM 0 HH TYR A 2 -14.003 -21.603 6.586 1.00 0.00 H new ATOM 39 N THR A 3 -18.804 -18.761 1.086 1.00 0.00 N ATOM 40 CA THR A 3 -19.382 -17.428 0.905 1.00 0.00 C ATOM 41 C THR A 3 -18.762 -16.483 1.952 1.00 0.00 C ATOM 42 O THR A 3 -19.458 -15.692 2.598 1.00 0.00 O ATOM 43 CB THR A 3 -20.901 -17.463 1.058 1.00 0.00 C ATOM 44 OG1 THR A 3 -21.547 -18.623 0.565 1.00 0.00 O ATOM 45 CG2 THR A 3 -21.581 -16.242 0.423 1.00 0.00 C ATOM 0 H THR A 3 -18.803 -19.045 2.066 1.00 0.00 H new ATOM 0 HA THR A 3 -19.162 -17.072 -0.101 1.00 0.00 H new ATOM 0 HB THR A 3 -21.021 -17.462 2.141 1.00 0.00 H new ATOM 0 HG1 THR A 3 -22.513 -18.547 0.712 1.00 0.00 H new ATOM 0 HG21 THR A 3 -22.660 -16.315 0.559 1.00 0.00 H new ATOM 0 HG22 THR A 3 -21.216 -15.333 0.900 1.00 0.00 H new ATOM 0 HG23 THR A 3 -21.351 -16.210 -0.642 1.00 0.00 H new ATOM 53 N GLU A 4 -17.478 -16.694 2.240 1.00 0.00 N ATOM 54 CA GLU A 4 -16.712 -15.852 3.158 1.00 0.00 C ATOM 55 C GLU A 4 -16.876 -14.392 2.727 1.00 0.00 C ATOM 56 O GLU A 4 -16.884 -14.086 1.533 1.00 0.00 O ATOM 57 CB GLU A 4 -15.226 -16.264 3.193 1.00 0.00 C ATOM 58 CG GLU A 4 -14.565 -16.390 1.806 1.00 0.00 C ATOM 59 CD GLU A 4 -13.042 -16.455 1.906 1.00 0.00 C ATOM 60 OE1 GLU A 4 -12.383 -15.392 1.944 1.00 0.00 O ATOM 61 OE2 GLU A 4 -12.468 -17.568 1.913 1.00 0.00 O ATOM 0 H GLU A 4 -16.936 -17.460 1.840 1.00 0.00 H new ATOM 0 HA GLU A 4 -17.092 -15.979 4.172 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.673 -15.531 3.780 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.139 -17.219 3.711 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.935 -17.286 1.307 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.853 -15.539 1.188 1.00 0.00 H new ATOM 68 N GLN A 5 -17.043 -13.470 3.669 1.00 0.00 N ATOM 69 CA GLN A 5 -16.803 -12.075 3.346 1.00 0.00 C ATOM 70 C GLN A 5 -15.279 -11.883 3.335 1.00 0.00 C ATOM 71 O GLN A 5 -14.586 -12.483 4.169 1.00 0.00 O ATOM 72 CB GLN A 5 -17.493 -11.138 4.348 1.00 0.00 C ATOM 73 CG GLN A 5 -18.907 -10.695 3.924 1.00 0.00 C ATOM 74 CD GLN A 5 -20.027 -11.707 4.181 1.00 0.00 C ATOM 75 OE1 GLN A 5 -20.942 -11.452 4.957 1.00 0.00 O ATOM 76 NE2 GLN A 5 -20.045 -12.853 3.520 1.00 0.00 N ATOM 0 H GLN A 5 -17.333 -13.656 4.629 1.00 0.00 H new ATOM 0 HA GLN A 5 -17.226 -11.822 2.374 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -17.555 -11.639 5.314 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -16.873 -10.252 4.487 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -19.150 -9.771 4.449 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -18.890 -10.462 2.859 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -19.291 -13.079 2.871 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -20.813 -13.510 3.659 1.00 0.00 H new ATOM 85 N PRO A 6 -14.746 -11.042 2.435 1.00 0.00 N ATOM 86 CA PRO A 6 -13.345 -10.653 2.460 1.00 0.00 C ATOM 87 C PRO A 6 -13.088 -9.823 3.711 1.00 0.00 C ATOM 88 O PRO A 6 -14.012 -9.174 4.215 1.00 0.00 O ATOM 89 CB PRO A 6 -13.143 -9.913 1.141 1.00 0.00 C ATOM 90 CG PRO A 6 -14.489 -9.225 0.911 1.00 0.00 C ATOM 91 CD PRO A 6 -15.481 -10.256 1.452 1.00 0.00 C ATOM 0 HA PRO A 6 -12.631 -11.474 2.525 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.329 -9.191 1.206 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.898 -10.598 0.329 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.557 -8.277 1.444 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -14.661 -9.010 -0.144 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -16.342 -9.767 1.908 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -15.861 -10.890 0.651 1.00 0.00 H new ATOM 99 N ILE A 7 -11.857 -9.873 4.225 1.00 0.00 N ATOM 100 CA ILE A 7 -11.467 -9.192 5.449 1.00 0.00 C ATOM 101 C ILE A 7 -11.653 -7.684 5.241 1.00 0.00 C ATOM 102 O ILE A 7 -10.801 -7.028 4.643 1.00 0.00 O ATOM 103 CB ILE A 7 -10.036 -9.577 5.902 1.00 0.00 C ATOM 104 CG1 ILE A 7 -9.967 -11.066 6.310 1.00 0.00 C ATOM 105 CG2 ILE A 7 -9.578 -8.716 7.092 1.00 0.00 C ATOM 106 CD1 ILE A 7 -8.628 -11.484 6.937 1.00 0.00 C ATOM 0 H ILE A 7 -11.096 -10.397 3.792 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.108 -9.512 6.271 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.375 -9.400 5.054 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.768 -11.275 7.019 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -10.151 -11.682 5.430 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.571 -9.010 7.387 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.580 -7.665 6.803 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.259 -8.863 7.930 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -8.662 -12.543 7.195 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.822 -11.310 6.224 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.449 -10.897 7.838 1.00 0.00 H new ATOM 118 N ASP A 8 -12.785 -7.166 5.703 1.00 0.00 N ATOM 119 CA ASP A 8 -13.289 -5.794 5.650 1.00 0.00 C ATOM 120 C ASP A 8 -13.015 -5.023 4.357 1.00 0.00 C ATOM 121 O ASP A 8 -12.891 -3.797 4.375 1.00 0.00 O ATOM 122 CB ASP A 8 -12.857 -5.033 6.918 1.00 0.00 C ATOM 123 CG ASP A 8 -14.018 -4.329 7.603 1.00 0.00 C ATOM 124 OD1 ASP A 8 -14.744 -5.027 8.358 1.00 0.00 O ATOM 125 OD2 ASP A 8 -14.124 -3.096 7.452 1.00 0.00 O ATOM 0 H ASP A 8 -13.454 -7.769 6.182 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.376 -5.875 5.631 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.397 -5.731 7.617 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.096 -4.298 6.655 1.00 0.00 H new ATOM 130 N LEU A 9 -12.859 -5.712 3.223 1.00 0.00 N ATOM 131 CA LEU A 9 -12.575 -5.042 1.979 1.00 0.00 C ATOM 132 C LEU A 9 -13.775 -4.259 1.482 1.00 0.00 C ATOM 133 O LEU A 9 -14.924 -4.706 1.518 1.00 0.00 O ATOM 134 CB LEU A 9 -12.092 -6.025 0.911 1.00 0.00 C ATOM 135 CG LEU A 9 -10.588 -5.840 0.646 1.00 0.00 C ATOM 136 CD1 LEU A 9 -10.098 -6.908 -0.316 1.00 0.00 C ATOM 137 CD2 LEU A 9 -10.174 -4.491 0.062 1.00 0.00 C ATOM 0 H LEU A 9 -12.927 -6.727 3.154 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.770 -4.334 2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.287 -7.047 1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.651 -5.871 -0.012 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.137 -5.910 1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.032 -6.771 -0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.268 -7.894 0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.641 -6.827 -1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.094 -4.473 -0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.671 -4.341 -0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.461 -3.694 0.748 1.00 0.00 H new ATOM 149 N VAL A 10 -13.433 -3.114 0.917 1.00 0.00 N ATOM 150 CA VAL A 10 -14.282 -2.220 0.159 1.00 0.00 C ATOM 151 C VAL A 10 -13.331 -1.509 -0.804 1.00 0.00 C ATOM 152 O VAL A 10 -12.254 -1.057 -0.384 1.00 0.00 O ATOM 153 CB VAL A 10 -15.046 -1.217 1.043 1.00 0.00 C ATOM 154 CG1 VAL A 10 -16.391 -1.772 1.520 1.00 0.00 C ATOM 155 CG2 VAL A 10 -14.240 -0.764 2.258 1.00 0.00 C ATOM 0 H VAL A 10 -12.479 -2.760 0.984 1.00 0.00 H new ATOM 0 HA VAL A 10 -15.068 -2.770 -0.357 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.221 -0.354 0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -16.892 -1.028 2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -17.015 -2.005 0.657 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -16.225 -2.678 2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.830 -0.058 2.843 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.993 -1.629 2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.321 -0.281 1.926 1.00 0.00 H new ATOM 165 N PRO A 11 -13.648 -1.454 -2.103 1.00 0.00 N ATOM 166 CA PRO A 11 -12.863 -0.661 -3.025 1.00 0.00 C ATOM 167 C PRO A 11 -12.946 0.827 -2.667 1.00 0.00 C ATOM 168 O PRO A 11 -13.889 1.289 -2.020 1.00 0.00 O ATOM 169 CB PRO A 11 -13.419 -0.945 -4.415 1.00 0.00 C ATOM 170 CG PRO A 11 -14.557 -1.954 -4.238 1.00 0.00 C ATOM 171 CD PRO A 11 -14.850 -1.960 -2.740 1.00 0.00 C ATOM 0 HA PRO A 11 -11.806 -0.921 -2.979 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.783 -0.029 -4.880 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.644 -1.347 -5.067 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.437 -1.661 -4.811 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -14.264 -2.944 -4.587 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.710 -1.333 -2.507 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -15.085 -2.966 -2.391 1.00 0.00 H new ATOM 179 N THR A 12 -11.983 1.605 -3.141 1.00 0.00 N ATOM 180 CA THR A 12 -12.017 3.056 -3.130 1.00 0.00 C ATOM 181 C THR A 12 -11.175 3.505 -4.324 1.00 0.00 C ATOM 182 O THR A 12 -10.891 2.712 -5.226 1.00 0.00 O ATOM 183 CB THR A 12 -11.634 3.609 -1.730 1.00 0.00 C ATOM 184 OG1 THR A 12 -12.088 4.942 -1.622 1.00 0.00 O ATOM 185 CG2 THR A 12 -10.143 3.589 -1.406 1.00 0.00 C ATOM 0 H THR A 12 -11.131 1.229 -3.556 1.00 0.00 H new ATOM 0 HA THR A 12 -13.012 3.480 -3.266 1.00 0.00 H new ATOM 0 HB THR A 12 -12.111 2.939 -1.015 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.851 5.298 -0.740 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.982 3.995 -0.407 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.776 2.563 -1.444 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.604 4.194 -2.135 1.00 0.00 H new ATOM 193 N GLN A 13 -10.878 4.796 -4.396 1.00 0.00 N ATOM 194 CA GLN A 13 -10.120 5.382 -5.489 1.00 0.00 C ATOM 195 C GLN A 13 -9.257 6.525 -4.937 1.00 0.00 C ATOM 196 O GLN A 13 -9.508 6.990 -3.816 1.00 0.00 O ATOM 197 CB GLN A 13 -11.085 5.897 -6.572 1.00 0.00 C ATOM 198 CG GLN A 13 -11.863 4.816 -7.342 1.00 0.00 C ATOM 199 CD GLN A 13 -12.596 5.386 -8.561 1.00 0.00 C ATOM 200 OE1 GLN A 13 -12.856 6.580 -8.667 1.00 0.00 O ATOM 201 NE2 GLN A 13 -12.983 4.556 -9.518 1.00 0.00 N ATOM 0 H GLN A 13 -11.161 5.472 -3.687 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.470 4.633 -5.941 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -11.803 6.570 -6.103 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.515 6.488 -7.289 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.173 4.037 -7.667 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -12.584 4.345 -6.674 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.774 3.560 -9.445 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -13.490 4.913 -10.328 1.00 0.00 H new ATOM 210 N PRO A 14 -8.252 6.985 -5.702 1.00 0.00 N ATOM 211 CA PRO A 14 -7.330 8.029 -5.288 1.00 0.00 C ATOM 212 C PRO A 14 -8.002 9.385 -5.199 1.00 0.00 C ATOM 213 O PRO A 14 -9.039 9.662 -5.814 1.00 0.00 O ATOM 214 CB PRO A 14 -6.212 8.051 -6.335 1.00 0.00 C ATOM 215 CG PRO A 14 -6.442 6.839 -7.227 1.00 0.00 C ATOM 216 CD PRO A 14 -7.924 6.535 -7.042 1.00 0.00 C ATOM 0 HA PRO A 14 -6.948 7.820 -4.289 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.241 8.973 -6.916 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.232 8.004 -5.859 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.204 7.056 -8.268 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.819 5.996 -6.927 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.526 7.054 -7.788 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.123 5.469 -7.157 1.00 0.00 H new ATOM 224 N LEU A 15 -7.355 10.254 -4.436 1.00 0.00 N ATOM 225 CA LEU A 15 -7.806 11.604 -4.206 1.00 0.00 C ATOM 226 C LEU A 15 -7.632 12.419 -5.485 1.00 0.00 C ATOM 227 O LEU A 15 -6.660 12.208 -6.221 1.00 0.00 O ATOM 228 CB LEU A 15 -6.979 12.181 -3.063 1.00 0.00 C ATOM 229 CG LEU A 15 -7.459 11.766 -1.661 1.00 0.00 C ATOM 230 CD1 LEU A 15 -8.488 12.796 -1.176 1.00 0.00 C ATOM 231 CD2 LEU A 15 -8.031 10.352 -1.491 1.00 0.00 C ATOM 0 H LEU A 15 -6.485 10.028 -3.953 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.862 11.630 -3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.942 11.868 -3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.994 13.269 -3.132 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.550 11.742 -1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.840 12.518 -0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.024 13.782 -1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.331 12.821 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.327 10.202 -0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.900 10.231 -2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.272 9.618 -1.762 1.00 0.00 H new ATOM 243 N PRO A 16 -8.561 13.344 -5.755 1.00 0.00 N ATOM 244 CA PRO A 16 -8.537 14.155 -6.954 1.00 0.00 C ATOM 245 C PRO A 16 -7.475 15.237 -6.796 1.00 0.00 C ATOM 246 O PRO A 16 -7.357 15.815 -5.717 1.00 0.00 O ATOM 247 CB PRO A 16 -9.947 14.740 -7.034 1.00 0.00 C ATOM 248 CG PRO A 16 -10.394 14.876 -5.578 1.00 0.00 C ATOM 249 CD PRO A 16 -9.643 13.756 -4.866 1.00 0.00 C ATOM 0 HA PRO A 16 -8.287 13.606 -7.862 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.947 15.705 -7.540 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.616 14.086 -7.594 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.137 15.853 -5.170 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.473 14.762 -5.478 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.248 14.101 -3.911 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.308 12.919 -4.652 1.00 0.00 H new ATOM 257 N ASN A 17 -6.730 15.570 -7.854 1.00 0.00 N ATOM 258 CA ASN A 17 -5.698 16.623 -7.880 1.00 0.00 C ATOM 259 C ASN A 17 -4.477 16.287 -7.007 1.00 0.00 C ATOM 260 O ASN A 17 -3.550 17.094 -6.899 1.00 0.00 O ATOM 261 CB ASN A 17 -6.249 18.012 -7.488 1.00 0.00 C ATOM 262 CG ASN A 17 -7.704 18.245 -7.855 1.00 0.00 C ATOM 263 OD1 ASN A 17 -8.048 18.524 -8.997 1.00 0.00 O ATOM 264 ND2 ASN A 17 -8.608 18.073 -6.905 1.00 0.00 N ATOM 0 H ASN A 17 -6.829 15.098 -8.753 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.373 16.664 -8.919 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.135 18.143 -6.412 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.640 18.778 -7.968 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.600 18.173 -7.121 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.313 17.841 -5.957 1.00 0.00 H new ATOM 271 N ALA A 18 -4.491 15.126 -6.351 1.00 0.00 N ATOM 272 CA ALA A 18 -3.440 14.657 -5.466 1.00 0.00 C ATOM 273 C ALA A 18 -2.118 14.535 -6.224 1.00 0.00 C ATOM 274 O ALA A 18 -2.091 14.240 -7.419 1.00 0.00 O ATOM 275 CB ALA A 18 -3.865 13.328 -4.858 1.00 0.00 C ATOM 0 H ALA A 18 -5.266 14.467 -6.429 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.282 15.375 -4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.082 12.966 -4.191 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.788 13.464 -4.294 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.029 12.600 -5.653 1.00 0.00 H new ATOM 281 N SER A 19 -1.009 14.717 -5.523 1.00 0.00 N ATOM 282 CA SER A 19 0.337 14.774 -6.050 1.00 0.00 C ATOM 283 C SER A 19 1.256 14.175 -4.998 1.00 0.00 C ATOM 284 O SER A 19 1.022 14.322 -3.798 1.00 0.00 O ATOM 285 CB SER A 19 0.689 16.236 -6.314 1.00 0.00 C ATOM 286 OG SER A 19 0.130 16.648 -7.551 1.00 0.00 O ATOM 0 H SER A 19 -1.031 14.835 -4.510 1.00 0.00 H new ATOM 0 HA SER A 19 0.438 14.220 -6.983 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.310 16.863 -5.506 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.772 16.361 -6.334 1.00 0.00 H new ATOM 0 HG SER A 19 0.357 17.587 -7.716 1.00 0.00 H new ATOM 292 N PHE A 20 2.267 13.438 -5.443 1.00 0.00 N ATOM 293 CA PHE A 20 3.177 12.785 -4.525 1.00 0.00 C ATOM 294 C PHE A 20 3.944 13.839 -3.732 1.00 0.00 C ATOM 295 O PHE A 20 4.301 14.892 -4.268 1.00 0.00 O ATOM 296 CB PHE A 20 4.141 11.876 -5.298 1.00 0.00 C ATOM 297 CG PHE A 20 5.177 11.196 -4.424 1.00 0.00 C ATOM 298 CD1 PHE A 20 4.784 10.384 -3.342 1.00 0.00 C ATOM 299 CD2 PHE A 20 6.545 11.431 -4.649 1.00 0.00 C ATOM 300 CE1 PHE A 20 5.744 9.794 -2.508 1.00 0.00 C ATOM 301 CE2 PHE A 20 7.508 10.862 -3.802 1.00 0.00 C ATOM 302 CZ PHE A 20 7.105 10.044 -2.734 1.00 0.00 C ATOM 0 H PHE A 20 2.472 13.281 -6.430 1.00 0.00 H new ATOM 0 HA PHE A 20 2.611 12.166 -3.829 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.565 11.113 -5.822 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.652 12.467 -6.058 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.734 10.215 -3.153 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.855 12.052 -5.477 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.437 9.151 -1.696 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.557 11.053 -3.971 1.00 0.00 H new ATOM 0 HZ PHE A 20 7.847 9.605 -2.083 1.00 0.00 H new ATOM 312 N ASP A 21 4.262 13.523 -2.482 1.00 0.00 N ATOM 313 CA ASP A 21 4.945 14.403 -1.547 1.00 0.00 C ATOM 314 C ASP A 21 6.206 13.704 -1.097 1.00 0.00 C ATOM 315 O ASP A 21 6.335 12.494 -1.257 1.00 0.00 O ATOM 316 CB ASP A 21 4.105 14.655 -0.290 1.00 0.00 C ATOM 317 CG ASP A 21 2.728 15.175 -0.600 1.00 0.00 C ATOM 318 OD1 ASP A 21 2.643 16.358 -1.002 1.00 0.00 O ATOM 319 OD2 ASP A 21 1.782 14.386 -0.369 1.00 0.00 O ATOM 0 H ASP A 21 4.042 12.612 -2.079 1.00 0.00 H new ATOM 0 HA ASP A 21 5.137 15.353 -2.046 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.019 13.727 0.275 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.623 15.370 0.349 1.00 0.00 H new ATOM 324 N ASN A 22 7.095 14.411 -0.410 1.00 0.00 N ATOM 325 CA ASN A 22 8.328 13.835 0.110 1.00 0.00 C ATOM 326 C ASN A 22 8.091 12.816 1.245 1.00 0.00 C ATOM 327 O ASN A 22 9.035 12.532 1.977 1.00 0.00 O ATOM 328 CB ASN A 22 9.299 14.974 0.513 1.00 0.00 C ATOM 329 CG ASN A 22 10.635 14.864 -0.212 1.00 0.00 C ATOM 330 OD1 ASN A 22 10.685 14.676 -1.425 1.00 0.00 O ATOM 331 ND2 ASN A 22 11.752 14.997 0.480 1.00 0.00 N ATOM 0 H ASN A 22 6.981 15.402 -0.198 1.00 0.00 H new ATOM 0 HA ASN A 22 8.792 13.250 -0.684 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.842 15.938 0.288 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.467 14.944 1.590 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.654 14.944 0.007 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.712 15.153 1.487 1.00 0.00 H new ATOM 338 N PHE A 23 6.874 12.301 1.493 1.00 0.00 N ATOM 339 CA PHE A 23 6.650 11.281 2.523 1.00 0.00 C ATOM 340 C PHE A 23 7.444 10.021 2.189 1.00 0.00 C ATOM 341 O PHE A 23 7.643 9.682 1.018 1.00 0.00 O ATOM 342 CB PHE A 23 5.157 10.936 2.733 1.00 0.00 C ATOM 343 CG PHE A 23 4.479 10.047 1.691 1.00 0.00 C ATOM 344 CD1 PHE A 23 4.681 8.645 1.661 1.00 0.00 C ATOM 345 CD2 PHE A 23 3.559 10.617 0.792 1.00 0.00 C ATOM 346 CE1 PHE A 23 3.990 7.845 0.736 1.00 0.00 C ATOM 347 CE2 PHE A 23 2.864 9.815 -0.129 1.00 0.00 C ATOM 348 CZ PHE A 23 3.080 8.426 -0.160 1.00 0.00 C ATOM 0 H PHE A 23 6.031 12.578 0.991 1.00 0.00 H new ATOM 0 HA PHE A 23 7.000 11.704 3.464 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.059 10.450 3.704 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.601 11.872 2.788 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.371 8.188 2.354 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.385 11.683 0.810 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.160 6.779 0.714 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.162 10.267 -0.815 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.548 7.810 -0.870 1.00 0.00 H new ATOM 358 N LYS A 24 7.815 9.269 3.225 1.00 0.00 N ATOM 359 CA LYS A 24 8.313 7.914 3.045 1.00 0.00 C ATOM 360 C LYS A 24 7.477 7.000 3.918 1.00 0.00 C ATOM 361 O LYS A 24 6.871 7.429 4.907 1.00 0.00 O ATOM 362 CB LYS A 24 9.830 7.860 3.310 1.00 0.00 C ATOM 363 CG LYS A 24 10.415 6.559 3.843 1.00 0.00 C ATOM 364 CD LYS A 24 11.887 6.711 4.213 1.00 0.00 C ATOM 365 CE LYS A 24 12.534 5.392 3.853 1.00 0.00 C ATOM 366 NZ LYS A 24 13.994 5.424 4.022 1.00 0.00 N ATOM 0 H LYS A 24 7.778 9.579 4.196 1.00 0.00 H new ATOM 0 HA LYS A 24 8.206 7.568 2.017 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.341 8.099 2.377 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.074 8.651 4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.851 6.239 4.719 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.308 5.777 3.091 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.346 7.535 3.666 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.004 6.928 5.275 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.115 4.602 4.476 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.295 5.143 2.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.394 4.499 3.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.398 6.160 3.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.224 5.636 5.014 1.00 0.00 H new ATOM 380 N LEU A 25 7.506 5.718 3.590 1.00 0.00 N ATOM 381 CA LEU A 25 6.951 4.624 4.366 1.00 0.00 C ATOM 382 C LEU A 25 8.112 3.729 4.821 1.00 0.00 C ATOM 383 O LEU A 25 9.104 3.589 4.101 1.00 0.00 O ATOM 384 CB LEU A 25 5.817 3.943 3.568 1.00 0.00 C ATOM 385 CG LEU A 25 6.014 3.736 2.049 1.00 0.00 C ATOM 386 CD1 LEU A 25 6.916 2.538 1.747 1.00 0.00 C ATOM 387 CD2 LEU A 25 4.684 3.463 1.351 1.00 0.00 C ATOM 0 H LEU A 25 7.943 5.397 2.726 1.00 0.00 H new ATOM 0 HA LEU A 25 6.460 4.952 5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.635 2.966 4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.911 4.532 3.709 1.00 0.00 H new ATOM 0 HG LEU A 25 6.469 4.657 1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.027 2.429 0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.895 2.697 2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.469 1.633 2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.855 3.322 0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.232 2.563 1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.014 4.309 1.502 1.00 0.00 H new ATOM 399 N THR A 26 8.023 3.147 6.016 1.00 0.00 N ATOM 400 CA THR A 26 8.960 2.147 6.527 1.00 0.00 C ATOM 401 C THR A 26 8.166 0.860 6.787 1.00 0.00 C ATOM 402 O THR A 26 6.933 0.906 6.800 1.00 0.00 O ATOM 403 CB THR A 26 9.714 2.678 7.769 1.00 0.00 C ATOM 404 OG1 THR A 26 8.859 2.953 8.861 1.00 0.00 O ATOM 405 CG2 THR A 26 10.540 3.941 7.510 1.00 0.00 C ATOM 0 H THR A 26 7.275 3.364 6.675 1.00 0.00 H new ATOM 0 HA THR A 26 9.742 1.927 5.800 1.00 0.00 H new ATOM 0 HB THR A 26 10.386 1.855 8.012 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.119 3.521 8.562 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.036 4.247 8.431 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.289 3.735 6.745 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.884 4.741 7.169 1.00 0.00 H new ATOM 413 N CYS A 27 8.821 -0.295 6.956 1.00 0.00 N ATOM 414 CA CYS A 27 8.125 -1.537 7.273 1.00 0.00 C ATOM 415 C CYS A 27 9.082 -2.557 7.887 1.00 0.00 C ATOM 416 O CYS A 27 10.273 -2.281 8.096 1.00 0.00 O ATOM 417 CB CYS A 27 7.362 -2.032 6.030 1.00 0.00 C ATOM 418 SG CYS A 27 8.274 -3.109 4.925 1.00 0.00 S ATOM 0 H CYS A 27 9.834 -0.390 6.877 1.00 0.00 H new ATOM 0 HA CYS A 27 7.372 -1.367 8.043 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.468 -2.559 6.363 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.027 -1.163 5.464 1.00 0.00 H new ATOM 0 HG CYS A 27 9.548 -2.987 5.154 1.00 0.00 H new ATOM 424 N SER A 28 8.546 -3.735 8.189 1.00 0.00 N ATOM 425 CA SER A 28 9.269 -4.910 8.630 1.00 0.00 C ATOM 426 C SER A 28 10.218 -5.427 7.541 1.00 0.00 C ATOM 427 O SER A 28 11.416 -5.584 7.805 1.00 0.00 O ATOM 428 CB SER A 28 8.261 -5.962 9.106 1.00 0.00 C ATOM 429 OG SER A 28 6.963 -5.769 8.561 1.00 0.00 O ATOM 0 H SER A 28 7.541 -3.898 8.127 1.00 0.00 H new ATOM 0 HA SER A 28 9.913 -4.656 9.472 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.621 -6.954 8.832 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.201 -5.934 10.194 1.00 0.00 H new ATOM 0 HG SER A 28 6.681 -6.582 8.091 1.00 0.00 H new ATOM 435 N ASN A 29 9.733 -5.649 6.316 1.00 0.00 N ATOM 436 CA ASN A 29 10.597 -6.153 5.240 1.00 0.00 C ATOM 437 C ASN A 29 11.302 -4.979 4.596 1.00 0.00 C ATOM 438 O ASN A 29 10.709 -4.261 3.790 1.00 0.00 O ATOM 439 CB ASN A 29 9.880 -6.948 4.144 1.00 0.00 C ATOM 440 CG ASN A 29 10.901 -7.667 3.248 1.00 0.00 C ATOM 441 OD1 ASN A 29 12.003 -7.185 2.988 1.00 0.00 O ATOM 442 ND2 ASN A 29 10.558 -8.831 2.733 1.00 0.00 N ATOM 0 H ASN A 29 8.762 -5.491 6.045 1.00 0.00 H new ATOM 0 HA ASN A 29 11.285 -6.852 5.716 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.207 -7.676 4.596 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.267 -6.278 3.542 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.205 -9.329 2.121 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.646 -9.234 2.946 1.00 0.00 H new ATOM 449 N THR A 30 12.570 -4.778 4.912 1.00 0.00 N ATOM 450 CA THR A 30 13.302 -3.636 4.408 1.00 0.00 C ATOM 451 C THR A 30 13.312 -3.522 2.874 1.00 0.00 C ATOM 452 O THR A 30 13.415 -2.384 2.416 1.00 0.00 O ATOM 453 CB THR A 30 14.704 -3.614 5.024 1.00 0.00 C ATOM 454 OG1 THR A 30 15.262 -4.910 5.092 1.00 0.00 O ATOM 455 CG2 THR A 30 14.666 -3.037 6.440 1.00 0.00 C ATOM 0 H THR A 30 13.112 -5.395 5.517 1.00 0.00 H new ATOM 0 HA THR A 30 12.769 -2.739 4.724 1.00 0.00 H new ATOM 0 HB THR A 30 15.320 -2.988 4.378 1.00 0.00 H new ATOM 0 HG1 THR A 30 16.157 -4.860 5.488 1.00 0.00 H new ATOM 0 HG21 THR A 30 15.673 -3.031 6.858 1.00 0.00 H new ATOM 0 HG22 THR A 30 14.281 -2.018 6.407 1.00 0.00 H new ATOM 0 HG23 THR A 30 14.017 -3.650 7.065 1.00 0.00 H new ATOM 463 N LYS A 31 13.135 -4.595 2.079 1.00 0.00 N ATOM 464 CA LYS A 31 12.954 -4.458 0.627 1.00 0.00 C ATOM 465 C LYS A 31 11.526 -4.040 0.273 1.00 0.00 C ATOM 466 O LYS A 31 11.372 -3.268 -0.662 1.00 0.00 O ATOM 467 CB LYS A 31 13.362 -5.732 -0.140 1.00 0.00 C ATOM 468 CG LYS A 31 13.086 -5.680 -1.664 1.00 0.00 C ATOM 469 CD LYS A 31 13.746 -4.561 -2.496 1.00 0.00 C ATOM 470 CE LYS A 31 15.235 -4.735 -2.813 1.00 0.00 C ATOM 471 NZ LYS A 31 16.108 -3.886 -1.981 1.00 0.00 N ATOM 0 H LYS A 31 13.114 -5.557 2.417 1.00 0.00 H new ATOM 0 HA LYS A 31 13.627 -3.662 0.308 1.00 0.00 H new ATOM 0 HB2 LYS A 31 14.425 -5.911 0.018 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.829 -6.583 0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.395 -6.635 -2.089 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.008 -5.603 -1.803 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.205 -4.471 -3.438 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.618 -3.619 -1.963 1.00 0.00 H new ATOM 0 HE2 LYS A 31 15.511 -5.780 -2.670 1.00 0.00 H new ATOM 0 HE3 LYS A 31 15.406 -4.502 -3.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 17.059 -3.851 -2.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 15.715 -2.924 -1.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 16.166 -4.283 -1.022 1.00 0.00 H new ATOM 485 N PHE A 32 10.480 -4.514 0.958 1.00 0.00 N ATOM 486 CA PHE A 32 9.096 -4.202 0.574 1.00 0.00 C ATOM 487 C PHE A 32 8.876 -2.696 0.604 1.00 0.00 C ATOM 488 O PHE A 32 8.551 -2.101 -0.421 1.00 0.00 O ATOM 489 CB PHE A 32 8.076 -4.893 1.486 1.00 0.00 C ATOM 490 CG PHE A 32 6.611 -4.672 1.116 1.00 0.00 C ATOM 491 CD1 PHE A 32 6.149 -5.084 -0.145 1.00 0.00 C ATOM 492 CD2 PHE A 32 5.677 -4.176 2.048 1.00 0.00 C ATOM 493 CE1 PHE A 32 4.786 -4.993 -0.482 1.00 0.00 C ATOM 494 CE2 PHE A 32 4.314 -4.083 1.715 1.00 0.00 C ATOM 495 CZ PHE A 32 3.867 -4.499 0.452 1.00 0.00 C ATOM 0 H PHE A 32 10.563 -5.114 1.779 1.00 0.00 H new ATOM 0 HA PHE A 32 8.944 -4.579 -0.437 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.277 -5.964 1.481 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.232 -4.544 2.507 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.850 -5.476 -0.866 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.011 -3.865 3.027 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.449 -5.304 -1.460 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.610 -3.690 2.433 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.818 -4.439 0.201 1.00 0.00 H new ATOM 505 N ALA A 33 9.078 -2.076 1.770 1.00 0.00 N ATOM 506 CA ALA A 33 8.906 -0.629 1.885 1.00 0.00 C ATOM 507 C ALA A 33 9.881 0.150 0.986 1.00 0.00 C ATOM 508 O ALA A 33 9.562 1.241 0.533 1.00 0.00 O ATOM 509 CB ALA A 33 9.048 -0.210 3.353 1.00 0.00 C ATOM 0 H ALA A 33 9.356 -2.545 2.632 1.00 0.00 H new ATOM 0 HA ALA A 33 7.904 -0.380 1.536 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.920 0.869 3.437 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.288 -0.714 3.950 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.038 -0.487 3.716 1.00 0.00 H new ATOM 515 N ASP A 34 11.068 -0.381 0.708 1.00 0.00 N ATOM 516 CA ASP A 34 12.074 0.229 -0.180 1.00 0.00 C ATOM 517 C ASP A 34 11.598 0.245 -1.631 1.00 0.00 C ATOM 518 O ASP A 34 11.601 1.300 -2.260 1.00 0.00 O ATOM 519 CB ASP A 34 13.377 -0.553 -0.013 1.00 0.00 C ATOM 520 CG ASP A 34 14.444 -0.391 -1.088 1.00 0.00 C ATOM 521 OD1 ASP A 34 14.784 0.749 -1.458 1.00 0.00 O ATOM 522 OD2 ASP A 34 15.089 -1.420 -1.403 1.00 0.00 O ATOM 0 H ASP A 34 11.373 -1.272 1.101 1.00 0.00 H new ATOM 0 HA ASP A 34 12.236 1.272 0.092 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.818 -0.269 0.942 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.126 -1.612 0.054 1.00 0.00 H new ATOM 527 N ASP A 35 11.096 -0.881 -2.131 1.00 0.00 N ATOM 528 CA ASP A 35 10.505 -0.985 -3.459 1.00 0.00 C ATOM 529 C ASP A 35 9.298 -0.056 -3.562 1.00 0.00 C ATOM 530 O ASP A 35 9.155 0.667 -4.545 1.00 0.00 O ATOM 531 CB ASP A 35 10.030 -2.416 -3.756 1.00 0.00 C ATOM 532 CG ASP A 35 11.055 -3.370 -4.376 1.00 0.00 C ATOM 533 OD1 ASP A 35 11.972 -2.930 -5.100 1.00 0.00 O ATOM 534 OD2 ASP A 35 10.884 -4.602 -4.216 1.00 0.00 O ATOM 0 H ASP A 35 11.089 -1.761 -1.615 1.00 0.00 H new ATOM 0 HA ASP A 35 11.274 -0.707 -4.180 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.676 -2.857 -2.824 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.172 -2.357 -4.426 1.00 0.00 H new ATOM 539 N LEU A 36 8.410 -0.070 -2.561 1.00 0.00 N ATOM 540 CA LEU A 36 7.223 0.785 -2.549 1.00 0.00 C ATOM 541 C LEU A 36 7.614 2.262 -2.621 1.00 0.00 C ATOM 542 O LEU A 36 7.012 3.001 -3.399 1.00 0.00 O ATOM 543 CB LEU A 36 6.356 0.505 -1.308 1.00 0.00 C ATOM 544 CG LEU A 36 5.161 -0.430 -1.566 1.00 0.00 C ATOM 545 CD1 LEU A 36 5.541 -1.802 -2.144 1.00 0.00 C ATOM 546 CD2 LEU A 36 4.387 -0.628 -0.259 1.00 0.00 C ATOM 0 H LEU A 36 8.495 -0.672 -1.742 1.00 0.00 H new ATOM 0 HA LEU A 36 6.630 0.550 -3.433 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.984 0.067 -0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.983 1.452 -0.919 1.00 0.00 H new ATOM 0 HG LEU A 36 4.550 0.058 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.639 -2.396 -2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.050 -1.666 -3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.204 -2.318 -1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.539 -1.290 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.044 -1.071 0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.027 0.336 0.100 1.00 0.00 H new ATOM 558 N ASN A 37 8.642 2.678 -1.873 1.00 0.00 N ATOM 559 CA ASN A 37 9.166 4.039 -1.924 1.00 0.00 C ATOM 560 C ASN A 37 9.674 4.377 -3.331 1.00 0.00 C ATOM 561 O ASN A 37 9.460 5.489 -3.818 1.00 0.00 O ATOM 562 CB ASN A 37 10.309 4.189 -0.908 1.00 0.00 C ATOM 563 CG ASN A 37 9.842 4.606 0.477 1.00 0.00 C ATOM 564 OD1 ASN A 37 9.274 5.674 0.681 1.00 0.00 O ATOM 565 ND2 ASN A 37 10.087 3.763 1.462 1.00 0.00 N ATOM 0 H ASN A 37 9.133 2.074 -1.214 1.00 0.00 H new ATOM 0 HA ASN A 37 8.361 4.730 -1.675 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.843 3.242 -0.832 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.020 4.927 -1.280 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.803 3.994 2.414 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.561 2.880 1.272 1.00 0.00 H new ATOM 572 N GLN A 38 10.341 3.428 -3.992 1.00 0.00 N ATOM 573 CA GLN A 38 10.877 3.569 -5.333 1.00 0.00 C ATOM 574 C GLN A 38 9.733 3.822 -6.317 1.00 0.00 C ATOM 575 O GLN A 38 9.829 4.727 -7.142 1.00 0.00 O ATOM 576 CB GLN A 38 11.673 2.299 -5.685 1.00 0.00 C ATOM 577 CG GLN A 38 13.182 2.550 -5.751 1.00 0.00 C ATOM 578 CD GLN A 38 13.589 3.101 -7.111 1.00 0.00 C ATOM 579 OE1 GLN A 38 13.802 2.348 -8.061 1.00 0.00 O ATOM 580 NE2 GLN A 38 13.656 4.412 -7.253 1.00 0.00 N ATOM 0 H GLN A 38 10.525 2.510 -3.587 1.00 0.00 H new ATOM 0 HA GLN A 38 11.553 4.422 -5.392 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.469 1.529 -4.941 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.330 1.914 -6.645 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.471 3.253 -4.970 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.717 1.620 -5.557 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.476 5.021 -6.455 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.887 4.815 -8.161 1.00 0.00 H new ATOM 589 N MET A 39 8.637 3.067 -6.198 1.00 0.00 N ATOM 590 CA MET A 39 7.528 3.070 -7.146 1.00 0.00 C ATOM 591 C MET A 39 6.792 4.408 -7.259 1.00 0.00 C ATOM 592 O MET A 39 6.055 4.614 -8.232 1.00 0.00 O ATOM 593 CB MET A 39 6.504 2.009 -6.738 1.00 0.00 C ATOM 594 CG MET A 39 7.001 0.581 -6.967 1.00 0.00 C ATOM 595 SD MET A 39 6.057 -0.725 -6.120 1.00 0.00 S ATOM 596 CE MET A 39 4.387 -0.012 -6.098 1.00 0.00 C ATOM 0 H MET A 39 8.497 2.423 -5.420 1.00 0.00 H new ATOM 0 HA MET A 39 7.977 2.864 -8.118 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.256 2.137 -5.684 1.00 0.00 H new ATOM 0 HB3 MET A 39 5.585 2.163 -7.303 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.988 0.378 -8.038 1.00 0.00 H new ATOM 0 HG3 MET A 39 8.040 0.521 -6.644 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.650 -0.809 -6.197 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.228 0.514 -5.156 1.00 0.00 H new ATOM 0 HE3 MET A 39 4.279 0.688 -6.927 1.00 0.00 H new ATOM 606 N THR A 40 6.943 5.285 -6.268 1.00 0.00 N ATOM 607 CA THR A 40 6.344 6.608 -6.227 1.00 0.00 C ATOM 608 C THR A 40 7.418 7.708 -6.269 1.00 0.00 C ATOM 609 O THR A 40 7.055 8.882 -6.323 1.00 0.00 O ATOM 610 CB THR A 40 5.378 6.659 -5.028 1.00 0.00 C ATOM 611 OG1 THR A 40 4.589 7.831 -5.014 1.00 0.00 O ATOM 612 CG2 THR A 40 6.083 6.477 -3.679 1.00 0.00 C ATOM 0 H THR A 40 7.508 5.081 -5.443 1.00 0.00 H new ATOM 0 HA THR A 40 5.748 6.808 -7.118 1.00 0.00 H new ATOM 0 HB THR A 40 4.713 5.807 -5.168 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.921 8.440 -4.322 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.348 6.523 -2.875 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.584 5.509 -3.658 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.819 7.269 -3.543 1.00 0.00 H new ATOM 620 N GLY A 41 8.712 7.362 -6.299 1.00 0.00 N ATOM 621 CA GLY A 41 9.793 8.315 -6.511 1.00 0.00 C ATOM 622 C GLY A 41 10.236 9.039 -5.242 1.00 0.00 C ATOM 623 O GLY A 41 10.639 10.199 -5.314 1.00 0.00 O ATOM 0 H GLY A 41 9.034 6.402 -6.175 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.649 7.790 -6.936 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.474 9.053 -7.247 1.00 0.00 H new ATOM 627 N PHE A 42 10.162 8.396 -4.075 1.00 0.00 N ATOM 628 CA PHE A 42 10.557 9.005 -2.807 1.00 0.00 C ATOM 629 C PHE A 42 12.059 9.368 -2.764 1.00 0.00 C ATOM 630 O PHE A 42 12.907 8.609 -3.250 1.00 0.00 O ATOM 631 CB PHE A 42 10.184 8.045 -1.666 1.00 0.00 C ATOM 632 CG PHE A 42 10.894 8.389 -0.381 1.00 0.00 C ATOM 633 CD1 PHE A 42 10.661 9.617 0.268 1.00 0.00 C ATOM 634 CD2 PHE A 42 11.953 7.566 0.034 1.00 0.00 C ATOM 635 CE1 PHE A 42 11.538 10.048 1.265 1.00 0.00 C ATOM 636 CE2 PHE A 42 12.803 7.978 1.061 1.00 0.00 C ATOM 637 CZ PHE A 42 12.605 9.229 1.662 1.00 0.00 C ATOM 0 H PHE A 42 9.826 7.437 -3.984 1.00 0.00 H new ATOM 0 HA PHE A 42 10.021 9.947 -2.693 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.107 8.076 -1.504 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.433 7.024 -1.955 1.00 0.00 H new ATOM 0 HD1 PHE A 42 9.809 10.222 -0.004 1.00 0.00 H new ATOM 0 HD2 PHE A 42 12.110 6.610 -0.444 1.00 0.00 H new ATOM 0 HE1 PHE A 42 11.395 11.012 1.730 1.00 0.00 H new ATOM 0 HE2 PHE A 42 13.608 7.338 1.391 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.279 9.564 2.436 1.00 0.00 H new ATOM 647 N THR A 43 12.389 10.474 -2.083 1.00 0.00 N ATOM 648 CA THR A 43 13.722 11.019 -1.844 1.00 0.00 C ATOM 649 C THR A 43 13.738 11.679 -0.458 1.00 0.00 C ATOM 650 O THR A 43 12.859 12.474 -0.143 1.00 0.00 O ATOM 651 CB THR A 43 13.988 12.065 -2.944 1.00 0.00 C ATOM 652 OG1 THR A 43 13.785 11.542 -4.248 1.00 0.00 O ATOM 653 CG2 THR A 43 15.385 12.667 -2.871 1.00 0.00 C ATOM 0 H THR A 43 11.668 11.053 -1.652 1.00 0.00 H new ATOM 0 HA THR A 43 14.490 10.246 -1.871 1.00 0.00 H new ATOM 0 HB THR A 43 13.260 12.854 -2.754 1.00 0.00 H new ATOM 0 HG1 THR A 43 13.964 12.240 -4.912 1.00 0.00 H new ATOM 0 HG21 THR A 43 15.509 13.396 -3.672 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.519 13.160 -1.908 1.00 0.00 H new ATOM 0 HG23 THR A 43 16.128 11.877 -2.981 1.00 0.00 H new ATOM 661 N LYS A 44 14.718 11.359 0.393 1.00 0.00 N ATOM 662 CA LYS A 44 14.968 12.043 1.666 1.00 0.00 C ATOM 663 C LYS A 44 15.425 13.491 1.448 1.00 0.00 C ATOM 664 O LYS A 44 15.931 13.816 0.374 1.00 0.00 O ATOM 665 CB LYS A 44 16.060 11.280 2.431 1.00 0.00 C ATOM 666 CG LYS A 44 15.547 10.217 3.416 1.00 0.00 C ATOM 667 CD LYS A 44 16.465 10.084 4.635 1.00 0.00 C ATOM 668 CE LYS A 44 16.463 8.688 5.270 1.00 0.00 C ATOM 669 NZ LYS A 44 17.297 7.717 4.519 1.00 0.00 N ATOM 0 H LYS A 44 15.375 10.600 0.212 1.00 0.00 H new ATOM 0 HA LYS A 44 14.038 12.064 2.234 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.717 10.796 1.708 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.666 12.000 2.981 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.542 10.480 3.745 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.475 9.255 2.908 1.00 0.00 H new ATOM 0 HD2 LYS A 44 17.483 10.335 4.339 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.162 10.814 5.386 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.828 8.759 6.295 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.439 8.318 5.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.261 6.791 4.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.935 7.626 3.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.281 8.053 4.491 1.00 0.00 H new ATOM 683 N PRO A 45 15.391 14.313 2.509 1.00 0.00 N ATOM 684 CA PRO A 45 14.839 13.966 3.807 1.00 0.00 C ATOM 685 C PRO A 45 13.314 13.948 3.737 1.00 0.00 C ATOM 686 O PRO A 45 12.685 14.869 3.201 1.00 0.00 O ATOM 687 CB PRO A 45 15.331 15.027 4.768 1.00 0.00 C ATOM 688 CG PRO A 45 15.534 16.257 3.883 1.00 0.00 C ATOM 689 CD PRO A 45 15.924 15.662 2.528 1.00 0.00 C ATOM 0 HA PRO A 45 15.153 12.974 4.132 1.00 0.00 H new ATOM 0 HB2 PRO A 45 14.605 15.218 5.558 1.00 0.00 H new ATOM 0 HB3 PRO A 45 16.259 14.727 5.254 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.625 16.855 3.812 1.00 0.00 H new ATOM 0 HG3 PRO A 45 16.315 16.909 4.275 1.00 0.00 H new ATOM 0 HD2 PRO A 45 15.513 16.254 1.710 1.00 0.00 H new ATOM 0 HD3 PRO A 45 17.007 15.654 2.404 1.00 0.00 H new ATOM 697 N ALA A 46 12.728 12.849 4.212 1.00 0.00 N ATOM 698 CA ALA A 46 11.313 12.634 4.028 1.00 0.00 C ATOM 699 C ALA A 46 10.500 13.658 4.833 1.00 0.00 C ATOM 700 O ALA A 46 10.935 14.093 5.898 1.00 0.00 O ATOM 701 CB ALA A 46 10.934 11.193 4.380 1.00 0.00 C ATOM 0 H ALA A 46 13.213 12.109 4.719 1.00 0.00 H new ATOM 0 HA ALA A 46 11.070 12.784 2.976 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.863 11.053 4.234 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.481 10.505 3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.188 10.994 5.421 1.00 0.00 H new ATOM 707 N SER A 47 9.305 13.998 4.356 1.00 0.00 N ATOM 708 CA SER A 47 8.390 14.947 4.987 1.00 0.00 C ATOM 709 C SER A 47 7.815 14.394 6.301 1.00 0.00 C ATOM 710 O SER A 47 7.477 15.141 7.220 1.00 0.00 O ATOM 711 CB SER A 47 7.271 15.233 3.975 1.00 0.00 C ATOM 712 OG SER A 47 6.520 16.370 4.324 1.00 0.00 O ATOM 0 H SER A 47 8.934 13.607 3.490 1.00 0.00 H new ATOM 0 HA SER A 47 8.920 15.862 5.250 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.705 15.376 2.986 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.610 14.368 3.911 1.00 0.00 H new ATOM 0 HG SER A 47 5.820 16.518 3.654 1.00 0.00 H new ATOM 718 N ARG A 48 7.672 13.071 6.371 1.00 0.00 N ATOM 719 CA ARG A 48 7.114 12.311 7.480 1.00 0.00 C ATOM 720 C ARG A 48 7.582 10.872 7.316 1.00 0.00 C ATOM 721 O ARG A 48 8.023 10.500 6.218 1.00 0.00 O ATOM 722 CB ARG A 48 5.578 12.413 7.498 1.00 0.00 C ATOM 723 CG ARG A 48 4.963 11.944 6.177 1.00 0.00 C ATOM 724 CD ARG A 48 3.452 11.766 6.245 1.00 0.00 C ATOM 725 NE ARG A 48 2.708 12.827 5.538 1.00 0.00 N ATOM 726 CZ ARG A 48 2.160 13.928 6.074 1.00 0.00 C ATOM 727 NH1 ARG A 48 2.260 14.179 7.376 1.00 0.00 N ATOM 728 NH2 ARG A 48 1.491 14.765 5.290 1.00 0.00 N ATOM 0 H ARG A 48 7.963 12.466 5.603 1.00 0.00 H new ATOM 0 HA ARG A 48 7.456 12.709 8.436 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.183 11.812 8.317 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.284 13.445 7.690 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.202 12.666 5.396 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.421 10.998 5.887 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.187 10.799 5.817 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.142 11.748 7.290 1.00 0.00 H new ATOM 0 HE ARG A 48 2.598 12.710 4.531 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.759 13.530 7.984 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.837 15.021 7.767 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.399 14.567 4.294 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.069 15.606 5.684 1.00 0.00 H new ATOM 742 N GLU A 49 7.404 10.041 8.336 1.00 0.00 N ATOM 743 CA GLU A 49 7.741 8.628 8.334 1.00 0.00 C ATOM 744 C GLU A 49 6.509 7.829 8.715 1.00 0.00 C ATOM 745 O GLU A 49 6.208 7.660 9.896 1.00 0.00 O ATOM 746 CB GLU A 49 8.970 8.246 9.199 1.00 0.00 C ATOM 747 CG GLU A 49 10.326 8.772 8.700 1.00 0.00 C ATOM 748 CD GLU A 49 11.316 9.059 9.821 1.00 0.00 C ATOM 749 OE1 GLU A 49 12.002 8.102 10.255 1.00 0.00 O ATOM 750 OE2 GLU A 49 11.385 10.228 10.261 1.00 0.00 O ATOM 0 H GLU A 49 7.004 10.349 9.222 1.00 0.00 H new ATOM 0 HA GLU A 49 8.056 8.378 7.321 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.808 8.616 10.211 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.023 7.159 9.262 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.762 8.041 8.019 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.164 9.685 8.127 1.00 0.00 H new ATOM 757 N LEU A 50 5.781 7.359 7.703 1.00 0.00 N ATOM 758 CA LEU A 50 4.703 6.391 7.871 1.00 0.00 C ATOM 759 C LEU A 50 5.311 5.009 8.134 1.00 0.00 C ATOM 760 O LEU A 50 6.486 4.786 7.835 1.00 0.00 O ATOM 761 CB LEU A 50 3.817 6.337 6.614 1.00 0.00 C ATOM 762 CG LEU A 50 3.356 7.696 6.051 1.00 0.00 C ATOM 763 CD1 LEU A 50 2.705 7.504 4.680 1.00 0.00 C ATOM 764 CD2 LEU A 50 2.354 8.357 6.993 1.00 0.00 C ATOM 0 H LEU A 50 5.926 7.644 6.734 1.00 0.00 H new ATOM 0 HA LEU A 50 4.082 6.694 8.714 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.363 5.809 5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.933 5.742 6.843 1.00 0.00 H new ATOM 0 HG LEU A 50 4.232 8.338 5.954 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.383 8.470 4.292 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.426 7.059 3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.842 6.846 4.776 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.041 9.315 6.577 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.484 7.711 7.110 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.820 8.518 7.965 1.00 0.00 H new ATOM 776 N SER A 51 4.503 4.050 8.574 1.00 0.00 N ATOM 777 CA SER A 51 4.884 2.648 8.737 1.00 0.00 C ATOM 778 C SER A 51 3.861 1.782 7.987 1.00 0.00 C ATOM 779 O SER A 51 2.806 2.282 7.575 1.00 0.00 O ATOM 780 CB SER A 51 4.957 2.337 10.242 1.00 0.00 C ATOM 781 OG SER A 51 5.347 1.000 10.500 1.00 0.00 O ATOM 0 H SER A 51 3.534 4.231 8.836 1.00 0.00 H new ATOM 0 HA SER A 51 5.865 2.433 8.315 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.665 3.017 10.717 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.984 2.522 10.696 1.00 0.00 H new ATOM 0 HG SER A 51 5.381 0.850 11.468 1.00 0.00 H new ATOM 787 N VAL A 52 4.163 0.495 7.811 1.00 0.00 N ATOM 788 CA VAL A 52 3.370 -0.498 7.100 1.00 0.00 C ATOM 789 C VAL A 52 3.435 -1.795 7.919 1.00 0.00 C ATOM 790 O VAL A 52 4.490 -2.130 8.461 1.00 0.00 O ATOM 791 CB VAL A 52 3.925 -0.699 5.677 1.00 0.00 C ATOM 792 CG1 VAL A 52 3.090 -1.702 4.863 1.00 0.00 C ATOM 793 CG2 VAL A 52 4.039 0.592 4.858 1.00 0.00 C ATOM 0 H VAL A 52 5.024 0.097 8.187 1.00 0.00 H new ATOM 0 HA VAL A 52 2.334 -0.177 6.993 1.00 0.00 H new ATOM 0 HB VAL A 52 4.929 -1.087 5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.520 -1.810 3.867 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.091 -2.669 5.366 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.066 -1.338 4.778 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.438 0.362 3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.053 1.046 4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.707 1.287 5.366 1.00 0.00 H new ATOM 803 N THR A 53 2.324 -2.525 8.000 1.00 0.00 N ATOM 804 CA THR A 53 2.136 -3.705 8.843 1.00 0.00 C ATOM 805 C THR A 53 1.416 -4.796 8.046 1.00 0.00 C ATOM 806 O THR A 53 0.590 -4.494 7.187 1.00 0.00 O ATOM 807 CB THR A 53 1.405 -3.261 10.116 1.00 0.00 C ATOM 808 OG1 THR A 53 0.351 -2.325 9.929 1.00 0.00 O ATOM 809 CG2 THR A 53 2.417 -2.655 11.092 1.00 0.00 C ATOM 0 H THR A 53 1.492 -2.300 7.455 1.00 0.00 H new ATOM 0 HA THR A 53 3.082 -4.149 9.152 1.00 0.00 H new ATOM 0 HB THR A 53 0.935 -4.167 10.500 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.400 -2.764 9.478 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.903 -2.338 11.999 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.171 -3.401 11.344 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.899 -1.794 10.628 1.00 0.00 H new ATOM 817 N PHE A 54 1.761 -6.063 8.284 1.00 0.00 N ATOM 818 CA PHE A 54 1.241 -7.216 7.556 1.00 0.00 C ATOM 819 C PHE A 54 0.212 -7.904 8.423 1.00 0.00 C ATOM 820 O PHE A 54 0.559 -8.244 9.558 1.00 0.00 O ATOM 821 CB PHE A 54 2.381 -8.204 7.277 1.00 0.00 C ATOM 822 CG PHE A 54 3.447 -7.661 6.358 1.00 0.00 C ATOM 823 CD1 PHE A 54 3.110 -7.359 5.034 1.00 0.00 C ATOM 824 CD2 PHE A 54 4.757 -7.439 6.817 1.00 0.00 C ATOM 825 CE1 PHE A 54 4.075 -6.849 4.158 1.00 0.00 C ATOM 826 CE2 PHE A 54 5.745 -6.995 5.917 1.00 0.00 C ATOM 827 CZ PHE A 54 5.405 -6.701 4.585 1.00 0.00 C ATOM 0 H PHE A 54 2.430 -6.320 9.010 1.00 0.00 H new ATOM 0 HA PHE A 54 0.799 -6.889 6.615 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.841 -8.490 8.223 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.964 -9.111 6.839 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.100 -7.520 4.686 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.005 -7.608 7.855 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.797 -6.569 3.153 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.766 -6.880 6.251 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.163 -6.363 3.893 1.00 0.00 H new ATOM 837 N PHE A 55 -1.009 -8.137 7.920 1.00 0.00 N ATOM 838 CA PHE A 55 -2.024 -8.756 8.747 1.00 0.00 C ATOM 839 C PHE A 55 -1.479 -10.110 9.267 1.00 0.00 C ATOM 840 O PHE A 55 -0.809 -10.817 8.508 1.00 0.00 O ATOM 841 CB PHE A 55 -3.324 -8.904 7.921 1.00 0.00 C ATOM 842 CG PHE A 55 -4.572 -8.289 8.538 1.00 0.00 C ATOM 843 CD1 PHE A 55 -4.617 -6.924 8.876 1.00 0.00 C ATOM 844 CD2 PHE A 55 -5.732 -9.066 8.712 1.00 0.00 C ATOM 845 CE1 PHE A 55 -5.789 -6.349 9.391 1.00 0.00 C ATOM 846 CE2 PHE A 55 -6.899 -8.502 9.252 1.00 0.00 C ATOM 847 CZ PHE A 55 -6.929 -7.141 9.586 1.00 0.00 C ATOM 0 H PHE A 55 -1.301 -7.909 6.970 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.264 -8.144 9.616 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.164 -8.452 6.942 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.508 -9.965 7.755 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.739 -6.311 8.737 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.725 -10.108 8.427 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.813 -5.298 9.637 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.773 -9.116 9.410 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.829 -6.703 9.993 1.00 0.00 H new ATOM 857 N PRO A 56 -1.913 -10.582 10.445 1.00 0.00 N ATOM 858 CA PRO A 56 -2.485 -9.751 11.484 1.00 0.00 C ATOM 859 C PRO A 56 -1.416 -8.880 12.191 1.00 0.00 C ATOM 860 O PRO A 56 -0.818 -9.255 13.200 1.00 0.00 O ATOM 861 CB PRO A 56 -3.107 -10.764 12.442 1.00 0.00 C ATOM 862 CG PRO A 56 -2.179 -11.978 12.378 1.00 0.00 C ATOM 863 CD PRO A 56 -1.527 -11.871 11.003 1.00 0.00 C ATOM 0 HA PRO A 56 -3.206 -9.032 11.094 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.169 -10.365 13.455 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.121 -11.024 12.140 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.436 -11.955 13.175 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.733 -12.910 12.486 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.443 -11.946 11.084 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.856 -12.685 10.356 1.00 0.00 H new ATOM 871 N ASP A 57 -1.251 -7.657 11.711 1.00 0.00 N ATOM 872 CA ASP A 57 -0.629 -6.501 12.316 1.00 0.00 C ATOM 873 C ASP A 57 -1.335 -5.360 11.602 1.00 0.00 C ATOM 874 O ASP A 57 -1.438 -5.381 10.373 1.00 0.00 O ATOM 875 CB ASP A 57 0.887 -6.380 12.066 1.00 0.00 C ATOM 876 CG ASP A 57 1.488 -5.356 13.032 1.00 0.00 C ATOM 877 OD1 ASP A 57 0.816 -4.366 13.387 1.00 0.00 O ATOM 878 OD2 ASP A 57 2.617 -5.585 13.526 1.00 0.00 O ATOM 0 H ASP A 57 -1.593 -7.431 10.777 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.721 -6.531 13.402 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.367 -7.349 12.203 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.073 -6.075 11.036 1.00 0.00 H new ATOM 883 N LEU A 58 -1.908 -4.431 12.352 1.00 0.00 N ATOM 884 CA LEU A 58 -2.540 -3.230 11.862 1.00 0.00 C ATOM 885 C LEU A 58 -2.170 -2.060 12.782 1.00 0.00 C ATOM 886 O LEU A 58 -2.940 -1.116 12.937 1.00 0.00 O ATOM 887 CB LEU A 58 -4.049 -3.479 11.680 1.00 0.00 C ATOM 888 CG LEU A 58 -4.830 -4.067 12.878 1.00 0.00 C ATOM 889 CD1 LEU A 58 -6.319 -3.953 12.560 1.00 0.00 C ATOM 890 CD2 LEU A 58 -4.587 -5.565 13.155 1.00 0.00 C ATOM 0 H LEU A 58 -1.943 -4.504 13.369 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.178 -2.951 10.872 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.515 -2.532 11.408 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.178 -4.152 10.833 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.491 -3.507 13.750 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.900 -4.360 13.387 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.581 -2.905 12.414 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.541 -4.512 11.651 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.181 -5.877 14.014 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.878 -6.148 12.281 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.530 -5.729 13.366 1.00 0.00 H new ATOM 902 N ASN A 59 -1.009 -2.136 13.444 1.00 0.00 N ATOM 903 CA ASN A 59 -0.481 -1.064 14.289 1.00 0.00 C ATOM 904 C ASN A 59 0.020 0.093 13.431 1.00 0.00 C ATOM 905 O ASN A 59 -0.035 1.239 13.872 1.00 0.00 O ATOM 906 CB ASN A 59 0.697 -1.553 15.151 1.00 0.00 C ATOM 907 CG ASN A 59 0.277 -2.492 16.269 1.00 0.00 C ATOM 908 OD1 ASN A 59 0.257 -2.113 17.437 1.00 0.00 O ATOM 909 ND2 ASN A 59 -0.061 -3.723 15.934 1.00 0.00 N ATOM 0 H ASN A 59 -0.404 -2.956 13.406 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.297 -0.740 14.935 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.419 -2.061 14.512 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.205 -0.690 15.582 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.348 -4.387 16.653 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.035 -4.011 14.956 1.00 0.00 H new ATOM 916 N GLY A 60 0.533 -0.200 12.235 1.00 0.00 N ATOM 917 CA GLY A 60 1.160 0.791 11.374 1.00 0.00 C ATOM 918 C GLY A 60 0.125 1.708 10.737 1.00 0.00 C ATOM 919 O GLY A 60 -1.067 1.393 10.704 1.00 0.00 O ATOM 0 H GLY A 60 0.523 -1.140 11.838 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.866 1.385 11.954 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.732 0.288 10.594 1.00 0.00 H new ATOM 923 N ASP A 61 0.600 2.827 10.180 1.00 0.00 N ATOM 924 CA ASP A 61 -0.278 3.800 9.528 1.00 0.00 C ATOM 925 C ASP A 61 -0.921 3.192 8.287 1.00 0.00 C ATOM 926 O ASP A 61 -2.026 3.571 7.904 1.00 0.00 O ATOM 927 CB ASP A 61 0.470 5.104 9.151 1.00 0.00 C ATOM 928 CG ASP A 61 -0.232 6.372 9.672 1.00 0.00 C ATOM 929 OD1 ASP A 61 -1.107 6.290 10.560 1.00 0.00 O ATOM 930 OD2 ASP A 61 0.153 7.501 9.270 1.00 0.00 O ATOM 0 H ASP A 61 1.588 3.080 10.168 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.054 4.061 10.247 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.483 5.065 9.553 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.560 5.164 8.066 1.00 0.00 H new ATOM 935 N VAL A 62 -0.257 2.220 7.668 1.00 0.00 N ATOM 936 CA VAL A 62 -0.784 1.476 6.545 1.00 0.00 C ATOM 937 C VAL A 62 -0.697 -0.002 6.892 1.00 0.00 C ATOM 938 O VAL A 62 0.157 -0.443 7.670 1.00 0.00 O ATOM 939 CB VAL A 62 -0.036 1.875 5.257 1.00 0.00 C ATOM 940 CG1 VAL A 62 -0.550 1.128 4.013 1.00 0.00 C ATOM 941 CG2 VAL A 62 -0.134 3.393 5.015 1.00 0.00 C ATOM 0 H VAL A 62 0.680 1.927 7.944 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.831 1.706 6.349 1.00 0.00 H new ATOM 0 HB VAL A 62 1.005 1.590 5.410 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.013 1.449 3.137 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.421 0.055 4.154 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.607 1.350 3.866 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.401 3.651 4.101 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.181 3.679 4.916 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.309 3.925 5.857 1.00 0.00 H new ATOM 951 N VAL A 63 -1.598 -0.771 6.296 1.00 0.00 N ATOM 952 CA VAL A 63 -1.701 -2.202 6.515 1.00 0.00 C ATOM 953 C VAL A 63 -1.587 -2.893 5.154 1.00 0.00 C ATOM 954 O VAL A 63 -1.814 -2.274 4.116 1.00 0.00 O ATOM 955 CB VAL A 63 -3.015 -2.475 7.267 1.00 0.00 C ATOM 956 CG1 VAL A 63 -3.153 -3.933 7.705 1.00 0.00 C ATOM 957 CG2 VAL A 63 -3.149 -1.570 8.514 1.00 0.00 C ATOM 0 H VAL A 63 -2.287 -0.410 5.637 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.902 -2.605 7.137 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.811 -2.250 6.557 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -4.099 -4.067 8.230 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.130 -4.580 6.828 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.329 -4.193 8.369 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.088 -1.788 9.023 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.317 -1.759 9.192 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.137 -0.524 8.207 1.00 0.00 H new ATOM 967 N ALA A 64 -1.232 -4.171 5.137 1.00 0.00 N ATOM 968 CA ALA A 64 -1.083 -4.988 3.952 1.00 0.00 C ATOM 969 C ALA A 64 -1.999 -6.193 4.108 1.00 0.00 C ATOM 970 O ALA A 64 -2.016 -6.838 5.160 1.00 0.00 O ATOM 971 CB ALA A 64 0.382 -5.392 3.802 1.00 0.00 C ATOM 0 H ALA A 64 -1.032 -4.686 5.994 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.363 -4.448 3.048 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.500 -6.008 2.910 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.998 -4.498 3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.695 -5.959 4.679 1.00 0.00 H new ATOM 977 N ILE A 65 -2.758 -6.474 3.054 1.00 0.00 N ATOM 978 CA ILE A 65 -3.733 -7.545 2.960 1.00 0.00 C ATOM 979 C ILE A 65 -3.233 -8.510 1.883 1.00 0.00 C ATOM 980 O ILE A 65 -2.426 -8.162 1.013 1.00 0.00 O ATOM 981 CB ILE A 65 -5.137 -6.947 2.704 1.00 0.00 C ATOM 982 CG1 ILE A 65 -5.600 -6.068 3.890 1.00 0.00 C ATOM 983 CG2 ILE A 65 -6.223 -7.992 2.385 1.00 0.00 C ATOM 984 CD1 ILE A 65 -5.837 -6.791 5.228 1.00 0.00 C ATOM 0 H ILE A 65 -2.703 -5.926 2.195 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.838 -8.112 3.885 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.018 -6.335 1.810 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.854 -5.290 4.050 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.525 -5.568 3.604 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.175 -7.488 2.219 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.944 -8.545 1.488 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.319 -8.684 3.222 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.158 -6.070 5.980 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.609 -7.549 5.100 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.912 -7.267 5.553 1.00 0.00 H new ATOM 996 N ASP A 66 -3.654 -9.760 1.992 1.00 0.00 N ATOM 997 CA ASP A 66 -3.129 -10.870 1.238 1.00 0.00 C ATOM 998 C ASP A 66 -3.696 -10.914 -0.174 1.00 0.00 C ATOM 999 O ASP A 66 -4.856 -10.609 -0.451 1.00 0.00 O ATOM 1000 CB ASP A 66 -3.379 -12.173 2.001 1.00 0.00 C ATOM 1001 CG ASP A 66 -4.826 -12.508 2.357 1.00 0.00 C ATOM 1002 OD1 ASP A 66 -5.730 -11.654 2.261 1.00 0.00 O ATOM 1003 OD2 ASP A 66 -5.052 -13.638 2.842 1.00 0.00 O ATOM 0 H ASP A 66 -4.399 -10.032 2.634 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.053 -10.739 1.125 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.979 -12.994 1.407 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.803 -12.139 2.926 1.00 0.00 H new ATOM 1008 N TYR A 67 -2.833 -11.326 -1.098 1.00 0.00 N ATOM 1009 CA TYR A 67 -3.115 -11.352 -2.520 1.00 0.00 C ATOM 1010 C TYR A 67 -4.320 -12.249 -2.874 1.00 0.00 C ATOM 1011 O TYR A 67 -4.972 -11.993 -3.887 1.00 0.00 O ATOM 1012 CB TYR A 67 -1.802 -11.709 -3.242 1.00 0.00 C ATOM 1013 CG TYR A 67 -1.951 -12.166 -4.675 1.00 0.00 C ATOM 1014 CD1 TYR A 67 -2.251 -13.514 -4.953 1.00 0.00 C ATOM 1015 CD2 TYR A 67 -1.853 -11.231 -5.721 1.00 0.00 C ATOM 1016 CE1 TYR A 67 -2.516 -13.921 -6.271 1.00 0.00 C ATOM 1017 CE2 TYR A 67 -2.129 -11.632 -7.042 1.00 0.00 C ATOM 1018 CZ TYR A 67 -2.491 -12.970 -7.313 1.00 0.00 C ATOM 1019 OH TYR A 67 -2.771 -13.353 -8.587 1.00 0.00 O ATOM 0 H TYR A 67 -1.897 -11.658 -0.868 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.443 -10.373 -2.868 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.149 -10.837 -3.223 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.300 -12.495 -2.678 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.277 -14.236 -4.151 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.567 -10.211 -5.512 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.738 -14.956 -6.486 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.064 -10.916 -7.848 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.711 -12.577 -9.183 1.00 0.00 H new ATOM 1029 N ARG A 68 -4.701 -13.239 -2.050 1.00 0.00 N ATOM 1030 CA ARG A 68 -5.902 -14.035 -2.288 1.00 0.00 C ATOM 1031 C ARG A 68 -7.197 -13.219 -2.282 1.00 0.00 C ATOM 1032 O ARG A 68 -8.210 -13.720 -2.765 1.00 0.00 O ATOM 1033 CB ARG A 68 -5.986 -15.174 -1.263 1.00 0.00 C ATOM 1034 CG ARG A 68 -6.159 -14.717 0.198 1.00 0.00 C ATOM 1035 CD ARG A 68 -7.121 -15.608 0.997 1.00 0.00 C ATOM 1036 NE ARG A 68 -7.390 -15.045 2.334 1.00 0.00 N ATOM 1037 CZ ARG A 68 -8.492 -15.206 3.083 1.00 0.00 C ATOM 1038 NH1 ARG A 68 -9.491 -15.977 2.684 1.00 0.00 N ATOM 1039 NH2 ARG A 68 -8.637 -14.573 4.236 1.00 0.00 N ATOM 0 H ARG A 68 -4.186 -13.503 -1.210 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.807 -14.440 -3.295 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.822 -15.821 -1.528 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.081 -15.777 -1.336 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.186 -14.712 0.689 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.528 -13.691 0.211 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.058 -15.716 0.451 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.695 -16.606 1.100 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.653 -14.466 2.736 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.433 -16.464 1.790 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.319 -16.084 3.271 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.903 -13.949 4.571 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.483 -14.709 4.790 1.00 0.00 H new ATOM 1053 N HIS A 69 -7.207 -12.006 -1.726 1.00 0.00 N ATOM 1054 CA HIS A 69 -8.376 -11.135 -1.721 1.00 0.00 C ATOM 1055 C HIS A 69 -8.381 -10.154 -2.905 1.00 0.00 C ATOM 1056 O HIS A 69 -9.335 -9.385 -3.031 1.00 0.00 O ATOM 1057 CB HIS A 69 -8.476 -10.402 -0.373 1.00 0.00 C ATOM 1058 CG HIS A 69 -9.056 -11.190 0.779 1.00 0.00 C ATOM 1059 ND1 HIS A 69 -9.791 -12.361 0.736 1.00 0.00 N ATOM 1060 CD2 HIS A 69 -9.064 -10.759 2.077 1.00 0.00 C ATOM 1061 CE1 HIS A 69 -10.211 -12.622 1.983 1.00 0.00 C ATOM 1062 NE2 HIS A 69 -9.775 -11.686 2.839 1.00 0.00 N ATOM 0 H HIS A 69 -6.394 -11.600 -1.263 1.00 0.00 H new ATOM 0 HA HIS A 69 -9.261 -11.759 -1.846 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.477 -10.069 -0.090 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.082 -9.507 -0.515 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -9.979 -12.924 -0.093 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -8.600 -9.857 2.448 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -10.818 -13.471 2.260 1.00 0.00 H new ATOM 1070 N TYR A 70 -7.366 -10.151 -3.774 1.00 0.00 N ATOM 1071 CA TYR A 70 -7.216 -9.207 -4.879 1.00 0.00 C ATOM 1072 C TYR A 70 -8.188 -9.529 -6.021 1.00 0.00 C ATOM 1073 O TYR A 70 -7.794 -10.073 -7.055 1.00 0.00 O ATOM 1074 CB TYR A 70 -5.744 -9.217 -5.319 1.00 0.00 C ATOM 1075 CG TYR A 70 -5.289 -8.330 -6.471 1.00 0.00 C ATOM 1076 CD1 TYR A 70 -6.088 -7.333 -7.072 1.00 0.00 C ATOM 1077 CD2 TYR A 70 -4.000 -8.570 -6.973 1.00 0.00 C ATOM 1078 CE1 TYR A 70 -5.586 -6.601 -8.168 1.00 0.00 C ATOM 1079 CE2 TYR A 70 -3.501 -7.875 -8.083 1.00 0.00 C ATOM 1080 CZ TYR A 70 -4.299 -6.888 -8.693 1.00 0.00 C ATOM 1081 OH TYR A 70 -3.843 -6.273 -9.821 1.00 0.00 O ATOM 0 H TYR A 70 -6.604 -10.827 -3.724 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.475 -8.198 -4.558 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.143 -8.952 -4.449 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.490 -10.244 -5.581 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.079 -7.132 -6.694 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.377 -9.309 -6.491 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.184 -5.818 -8.610 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.515 -8.094 -8.466 1.00 0.00 H new ATOM 0 HH TYR A 70 -2.941 -6.596 -10.028 1.00 0.00 H new ATOM 1091 N SER A 71 -9.456 -9.160 -5.858 1.00 0.00 N ATOM 1092 CA SER A 71 -10.452 -9.198 -6.917 1.00 0.00 C ATOM 1093 C SER A 71 -10.353 -7.968 -7.827 1.00 0.00 C ATOM 1094 O SER A 71 -9.887 -6.900 -7.413 1.00 0.00 O ATOM 1095 CB SER A 71 -11.860 -9.277 -6.315 1.00 0.00 C ATOM 1096 OG SER A 71 -11.922 -10.058 -5.133 1.00 0.00 O ATOM 0 H SER A 71 -9.823 -8.821 -4.969 1.00 0.00 H new ATOM 0 HA SER A 71 -10.259 -10.086 -7.519 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.210 -8.269 -6.095 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.541 -9.696 -7.055 1.00 0.00 H new ATOM 0 HG SER A 71 -12.842 -10.069 -4.796 1.00 0.00 H new ATOM 1102 N ALA A 72 -10.898 -8.079 -9.042 1.00 0.00 N ATOM 1103 CA ALA A 72 -11.003 -6.977 -10.000 1.00 0.00 C ATOM 1104 C ALA A 72 -11.960 -5.867 -9.559 1.00 0.00 C ATOM 1105 O ALA A 72 -12.031 -4.839 -10.230 1.00 0.00 O ATOM 1106 CB ALA A 72 -11.465 -7.546 -11.342 1.00 0.00 C ATOM 0 H ALA A 72 -11.286 -8.955 -9.393 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.018 -6.517 -10.075 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -11.549 -6.739 -12.070 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -10.740 -8.279 -11.695 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.436 -8.026 -11.219 1.00 0.00 H new ATOM 1112 N SER A 73 -12.681 -6.042 -8.456 1.00 0.00 N ATOM 1113 CA SER A 73 -13.491 -5.025 -7.805 1.00 0.00 C ATOM 1114 C SER A 73 -12.627 -3.892 -7.253 1.00 0.00 C ATOM 1115 O SER A 73 -13.085 -2.758 -7.147 1.00 0.00 O ATOM 1116 CB SER A 73 -14.238 -5.691 -6.647 1.00 0.00 C ATOM 1117 OG SER A 73 -14.612 -7.007 -7.027 1.00 0.00 O ATOM 0 H SER A 73 -12.716 -6.939 -7.972 1.00 0.00 H new ATOM 0 HA SER A 73 -14.180 -4.598 -8.533 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.605 -5.722 -5.760 1.00 0.00 H new ATOM 0 HB3 SER A 73 -15.123 -5.110 -6.387 1.00 0.00 H new ATOM 0 HG SER A 73 -15.089 -7.438 -6.287 1.00 0.00 H new ATOM 1123 N PHE A 74 -11.383 -4.208 -6.886 1.00 0.00 N ATOM 1124 CA PHE A 74 -10.438 -3.330 -6.208 1.00 0.00 C ATOM 1125 C PHE A 74 -9.422 -2.775 -7.210 1.00 0.00 C ATOM 1126 O PHE A 74 -8.288 -2.451 -6.858 1.00 0.00 O ATOM 1127 CB PHE A 74 -9.777 -4.125 -5.077 1.00 0.00 C ATOM 1128 CG PHE A 74 -10.762 -4.916 -4.217 1.00 0.00 C ATOM 1129 CD1 PHE A 74 -11.747 -4.272 -3.431 1.00 0.00 C ATOM 1130 CD2 PHE A 74 -10.707 -6.321 -4.233 1.00 0.00 C ATOM 1131 CE1 PHE A 74 -12.606 -5.035 -2.608 1.00 0.00 C ATOM 1132 CE2 PHE A 74 -11.620 -7.076 -3.479 1.00 0.00 C ATOM 1133 CZ PHE A 74 -12.554 -6.435 -2.657 1.00 0.00 C ATOM 0 H PHE A 74 -10.991 -5.133 -7.065 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.945 -2.468 -5.775 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.051 -4.815 -5.507 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.223 -3.437 -4.438 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.842 -3.197 -3.460 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.958 -6.822 -4.829 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -13.300 -4.541 -1.944 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.601 -8.154 -3.534 1.00 0.00 H new ATOM 0 HZ PHE A 74 -13.236 -7.021 -2.059 1.00 0.00 H new ATOM 1143 N LYS A 75 -9.780 -2.747 -8.495 1.00 0.00 N ATOM 1144 CA LYS A 75 -8.910 -2.493 -9.632 1.00 0.00 C ATOM 1145 C LYS A 75 -8.309 -1.089 -9.566 1.00 0.00 C ATOM 1146 O LYS A 75 -7.133 -0.932 -9.892 1.00 0.00 O ATOM 1147 CB LYS A 75 -9.741 -2.790 -10.899 1.00 0.00 C ATOM 1148 CG LYS A 75 -9.593 -1.824 -12.075 1.00 0.00 C ATOM 1149 CD LYS A 75 -8.256 -2.032 -12.776 1.00 0.00 C ATOM 1150 CE LYS A 75 -7.683 -0.707 -13.259 1.00 0.00 C ATOM 1151 NZ LYS A 75 -6.676 -0.950 -14.302 1.00 0.00 N ATOM 0 H LYS A 75 -10.745 -2.912 -8.781 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.035 -3.142 -9.637 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.480 -3.789 -11.248 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.793 -2.817 -10.614 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.408 -1.976 -12.782 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.667 -0.796 -11.720 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.553 -2.509 -12.093 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.386 -2.707 -13.622 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.481 -0.077 -13.651 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.233 -0.169 -12.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.288 -0.042 -14.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.909 -1.535 -13.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.118 -1.445 -15.103 1.00 0.00 H new ATOM 1165 N LYS A 76 -9.074 -0.081 -9.157 1.00 0.00 N ATOM 1166 CA LYS A 76 -8.588 1.286 -8.968 1.00 0.00 C ATOM 1167 C LYS A 76 -8.245 1.565 -7.500 1.00 0.00 C ATOM 1168 O LYS A 76 -7.833 2.676 -7.178 1.00 0.00 O ATOM 1169 CB LYS A 76 -9.569 2.285 -9.596 1.00 0.00 C ATOM 1170 CG LYS A 76 -9.695 2.011 -11.103 1.00 0.00 C ATOM 1171 CD LYS A 76 -10.261 3.182 -11.901 1.00 0.00 C ATOM 1172 CE LYS A 76 -10.536 2.699 -13.330 1.00 0.00 C ATOM 1173 NZ LYS A 76 -11.484 3.560 -14.065 1.00 0.00 N ATOM 0 H LYS A 76 -10.065 -0.191 -8.944 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.644 1.414 -9.497 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.545 2.200 -9.118 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.221 3.304 -9.430 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.712 1.756 -11.499 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.334 1.141 -11.252 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.179 3.548 -11.440 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.555 4.013 -11.910 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.595 2.655 -13.879 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.931 1.684 -13.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.627 3.180 -15.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.394 3.583 -13.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.099 4.524 -14.129 1.00 0.00 H new ATOM 1187 N GLY A 77 -8.323 0.541 -6.648 1.00 0.00 N ATOM 1188 CA GLY A 77 -7.764 0.502 -5.311 1.00 0.00 C ATOM 1189 C GLY A 77 -8.803 0.055 -4.283 1.00 0.00 C ATOM 1190 O GLY A 77 -9.945 -0.265 -4.634 1.00 0.00 O ATOM 0 H GLY A 77 -8.804 -0.324 -6.892 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.914 -0.180 -5.291 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.387 1.489 -5.044 1.00 0.00 H new ATOM 1194 N ALA A 78 -8.404 -0.074 -3.013 1.00 0.00 N ATOM 1195 CA ALA A 78 -9.280 -0.457 -1.916 1.00 0.00 C ATOM 1196 C ALA A 78 -8.704 -0.037 -0.566 1.00 0.00 C ATOM 1197 O ALA A 78 -7.560 0.424 -0.485 1.00 0.00 O ATOM 1198 CB ALA A 78 -9.458 -1.967 -1.928 1.00 0.00 C ATOM 0 H ALA A 78 -7.441 0.090 -2.720 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.237 0.048 -2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.113 -2.263 -1.109 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.901 -2.274 -2.876 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.488 -2.449 -1.808 1.00 0.00 H new ATOM 1204 N LYS A 79 -9.482 -0.227 0.503 1.00 0.00 N ATOM 1205 CA LYS A 79 -9.146 0.129 1.880 1.00 0.00 C ATOM 1206 C LYS A 79 -9.836 -0.840 2.853 1.00 0.00 C ATOM 1207 O LYS A 79 -10.531 -1.752 2.403 1.00 0.00 O ATOM 1208 CB LYS A 79 -9.456 1.613 2.126 1.00 0.00 C ATOM 1209 CG LYS A 79 -10.782 2.153 1.575 1.00 0.00 C ATOM 1210 CD LYS A 79 -11.924 1.981 2.559 1.00 0.00 C ATOM 1211 CE LYS A 79 -13.251 2.461 1.967 1.00 0.00 C ATOM 1212 NZ LYS A 79 -14.233 2.746 3.030 1.00 0.00 N ATOM 0 H LYS A 79 -10.406 -0.653 0.426 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.077 0.017 2.061 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.441 1.787 3.202 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.646 2.203 1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.669 3.210 1.333 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.024 1.637 0.646 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.008 0.931 2.840 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.708 2.539 3.470 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.084 3.359 1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.649 1.701 1.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.149 2.988 2.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.344 1.907 3.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.899 3.545 3.606 1.00 0.00 H new ATOM 1226 N LEU A 80 -9.595 -0.708 4.160 1.00 0.00 N ATOM 1227 CA LEU A 80 -10.148 -1.534 5.231 1.00 0.00 C ATOM 1228 C LEU A 80 -11.033 -0.618 6.093 1.00 0.00 C ATOM 1229 O LEU A 80 -11.372 0.489 5.669 1.00 0.00 O ATOM 1230 CB LEU A 80 -8.967 -2.195 5.984 1.00 0.00 C ATOM 1231 CG LEU A 80 -9.237 -3.474 6.790 1.00 0.00 C ATOM 1232 CD1 LEU A 80 -9.520 -4.680 5.912 1.00 0.00 C ATOM 1233 CD2 LEU A 80 -8.051 -3.842 7.685 1.00 0.00 C ATOM 0 H LEU A 80 -8.974 0.019 4.517 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.778 -2.352 4.881 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.192 -2.422 5.252 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.553 -1.454 6.667 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.118 -3.241 7.388 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.703 -5.552 6.540 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.399 -4.485 5.298 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.662 -4.870 5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.282 -4.752 8.239 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.167 -4.006 7.069 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.859 -3.030 8.386 1.00 0.00 H new ATOM 1245 N LEU A 81 -11.408 -1.064 7.293 1.00 0.00 N ATOM 1246 CA LEU A 81 -12.395 -0.472 8.202 1.00 0.00 C ATOM 1247 C LEU A 81 -12.395 1.043 8.211 1.00 0.00 C ATOM 1248 O LEU A 81 -13.405 1.675 7.897 1.00 0.00 O ATOM 1249 CB LEU A 81 -12.213 -1.044 9.616 1.00 0.00 C ATOM 1250 CG LEU A 81 -13.562 -1.205 10.337 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -13.431 -2.333 11.358 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -14.030 0.063 11.060 1.00 0.00 C ATOM 0 H LEU A 81 -11.000 -1.912 7.686 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.378 -0.750 7.821 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.713 -2.011 9.557 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.566 -0.386 10.195 1.00 0.00 H new ATOM 0 HG LEU A 81 -14.309 -1.425 9.574 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -14.379 -2.463 11.880 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.169 -3.259 10.846 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.651 -2.084 12.078 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -14.988 -0.127 11.545 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -13.293 0.347 11.811 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -14.143 0.872 10.339 1.00 0.00 H new ATOM 1264 N HIS A 82 -11.250 1.632 8.541 1.00 0.00 N ATOM 1265 CA HIS A 82 -10.988 3.033 8.202 1.00 0.00 C ATOM 1266 C HIS A 82 -9.528 3.306 7.849 1.00 0.00 C ATOM 1267 O HIS A 82 -9.159 4.452 7.620 1.00 0.00 O ATOM 1268 CB HIS A 82 -11.517 3.966 9.299 1.00 0.00 C ATOM 1269 CG HIS A 82 -10.962 3.704 10.671 1.00 0.00 C ATOM 1270 ND1 HIS A 82 -9.916 4.368 11.266 1.00 0.00 N ATOM 1271 CD2 HIS A 82 -11.483 2.835 11.587 1.00 0.00 C ATOM 1272 CE1 HIS A 82 -9.810 3.923 12.526 1.00 0.00 C ATOM 1273 NE2 HIS A 82 -10.746 2.985 12.766 1.00 0.00 N ATOM 0 H HIS A 82 -10.491 1.168 9.040 1.00 0.00 H new ATOM 0 HA HIS A 82 -11.541 3.249 7.288 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -11.290 4.995 9.021 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -12.603 3.878 9.339 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -12.310 2.158 11.430 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -9.080 4.267 13.244 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -10.890 2.480 13.641 1.00 0.00 H new ATOM 1281 N LYS A 83 -8.693 2.271 7.757 1.00 0.00 N ATOM 1282 CA LYS A 83 -7.287 2.400 7.392 1.00 0.00 C ATOM 1283 C LYS A 83 -7.070 1.996 5.934 1.00 0.00 C ATOM 1284 O LYS A 83 -7.930 1.325 5.353 1.00 0.00 O ATOM 1285 CB LYS A 83 -6.466 1.540 8.357 1.00 0.00 C ATOM 1286 CG LYS A 83 -6.412 2.173 9.752 1.00 0.00 C ATOM 1287 CD LYS A 83 -5.214 1.707 10.604 1.00 0.00 C ATOM 1288 CE LYS A 83 -5.565 0.464 11.436 1.00 0.00 C ATOM 1289 NZ LYS A 83 -5.088 0.546 12.832 1.00 0.00 N ATOM 0 H LYS A 83 -8.980 1.309 7.937 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.963 3.437 7.475 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.903 0.544 8.423 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.454 1.419 7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.371 3.257 9.647 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.335 1.939 10.282 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.368 1.484 9.953 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.902 2.514 11.267 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.646 0.328 11.436 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.132 -0.417 10.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.458 -0.257 13.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.568 1.436 12.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.902 0.517 13.479 1.00 0.00 H new ATOM 1303 N PRO A 84 -5.951 2.389 5.305 1.00 0.00 N ATOM 1304 CA PRO A 84 -5.634 1.988 3.942 1.00 0.00 C ATOM 1305 C PRO A 84 -5.064 0.567 3.936 1.00 0.00 C ATOM 1306 O PRO A 84 -4.586 0.075 4.965 1.00 0.00 O ATOM 1307 CB PRO A 84 -4.601 3.014 3.472 1.00 0.00 C ATOM 1308 CG PRO A 84 -3.843 3.340 4.753 1.00 0.00 C ATOM 1309 CD PRO A 84 -4.892 3.226 5.852 1.00 0.00 C ATOM 0 HA PRO A 84 -6.504 1.969 3.286 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -3.943 2.604 2.706 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.074 3.899 3.046 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.020 2.645 4.916 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -3.413 4.341 4.717 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.468 2.781 6.752 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.274 4.208 6.131 1.00 0.00 H new ATOM 1317 N ILE A 85 -5.070 -0.082 2.768 1.00 0.00 N ATOM 1318 CA ILE A 85 -4.461 -1.392 2.558 1.00 0.00 C ATOM 1319 C ILE A 85 -3.562 -1.380 1.324 1.00 0.00 C ATOM 1320 O ILE A 85 -3.779 -0.602 0.387 1.00 0.00 O ATOM 1321 CB ILE A 85 -5.526 -2.510 2.486 1.00 0.00 C ATOM 1322 CG1 ILE A 85 -6.363 -2.457 1.180 1.00 0.00 C ATOM 1323 CG2 ILE A 85 -6.367 -2.458 3.751 1.00 0.00 C ATOM 1324 CD1 ILE A 85 -6.042 -3.618 0.231 1.00 0.00 C ATOM 0 H ILE A 85 -5.507 0.298 1.929 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.833 -1.613 3.421 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.031 -3.480 2.440 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.424 -2.479 1.431 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.176 -1.512 0.670 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.124 -3.241 3.717 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.727 -2.610 4.620 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.854 -1.485 3.825 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.654 -3.534 -0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.988 -3.582 -0.044 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.255 -4.564 0.728 1.00 0.00 H new ATOM 1336 N VAL A 86 -2.637 -2.330 1.266 1.00 0.00 N ATOM 1337 CA VAL A 86 -1.844 -2.703 0.097 1.00 0.00 C ATOM 1338 C VAL A 86 -1.993 -4.207 -0.122 1.00 0.00 C ATOM 1339 O VAL A 86 -2.582 -4.885 0.720 1.00 0.00 O ATOM 1340 CB VAL A 86 -0.371 -2.266 0.233 1.00 0.00 C ATOM 1341 CG1 VAL A 86 -0.256 -0.739 0.238 1.00 0.00 C ATOM 1342 CG2 VAL A 86 0.378 -2.850 1.434 1.00 0.00 C ATOM 0 H VAL A 86 -2.405 -2.896 2.082 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.215 -2.176 -0.782 1.00 0.00 H new ATOM 0 HB VAL A 86 0.120 -2.684 -0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.791 -0.453 0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.656 -0.341 -0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.822 -0.334 1.077 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.404 -2.481 1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.120 -2.548 2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.384 -3.938 1.365 1.00 0.00 H new ATOM 1352 N TRP A 87 -1.469 -4.734 -1.229 1.00 0.00 N ATOM 1353 CA TRP A 87 -1.420 -6.167 -1.475 1.00 0.00 C ATOM 1354 C TRP A 87 0.003 -6.636 -1.185 1.00 0.00 C ATOM 1355 O TRP A 87 0.947 -6.020 -1.692 1.00 0.00 O ATOM 1356 CB TRP A 87 -1.837 -6.474 -2.921 1.00 0.00 C ATOM 1357 CG TRP A 87 -3.172 -5.920 -3.322 1.00 0.00 C ATOM 1358 CD1 TRP A 87 -3.399 -4.852 -4.120 1.00 0.00 C ATOM 1359 CD2 TRP A 87 -4.485 -6.360 -2.877 1.00 0.00 C ATOM 1360 NE1 TRP A 87 -4.763 -4.661 -4.277 1.00 0.00 N ATOM 1361 CE2 TRP A 87 -5.475 -5.561 -3.521 1.00 0.00 C ATOM 1362 CE3 TRP A 87 -4.937 -7.336 -1.970 1.00 0.00 C ATOM 1363 CZ2 TRP A 87 -6.845 -5.750 -3.319 1.00 0.00 C ATOM 1364 CZ3 TRP A 87 -6.308 -7.520 -1.740 1.00 0.00 C ATOM 1365 CH2 TRP A 87 -7.261 -6.747 -2.426 1.00 0.00 C ATOM 0 H TRP A 87 -1.066 -4.173 -1.980 1.00 0.00 H new ATOM 0 HA TRP A 87 -2.117 -6.698 -0.827 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -1.078 -6.078 -3.595 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -1.852 -7.555 -3.058 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -2.631 -4.239 -4.568 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -5.182 -3.948 -4.874 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.220 -7.950 -1.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -7.568 -5.140 -3.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -6.635 -8.263 -1.028 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -8.315 -6.922 -2.265 1.00 0.00 H new ATOM 1376 N HIS A 88 0.163 -7.713 -0.412 1.00 0.00 N ATOM 1377 CA HIS A 88 1.440 -8.401 -0.253 1.00 0.00 C ATOM 1378 C HIS A 88 1.307 -9.884 -0.576 1.00 0.00 C ATOM 1379 O HIS A 88 0.252 -10.515 -0.460 1.00 0.00 O ATOM 1380 CB HIS A 88 2.091 -8.162 1.119 1.00 0.00 C ATOM 1381 CG HIS A 88 1.596 -8.993 2.279 1.00 0.00 C ATOM 1382 ND1 HIS A 88 2.386 -9.791 3.083 1.00 0.00 N ATOM 1383 CD2 HIS A 88 0.315 -9.077 2.751 1.00 0.00 C ATOM 1384 CE1 HIS A 88 1.589 -10.375 3.993 1.00 0.00 C ATOM 1385 NE2 HIS A 88 0.316 -9.980 3.819 1.00 0.00 N ATOM 0 H HIS A 88 -0.597 -8.132 0.123 1.00 0.00 H new ATOM 0 HA HIS A 88 2.124 -7.961 -0.979 1.00 0.00 H new ATOM 0 HB2 HIS A 88 3.163 -8.331 1.017 1.00 0.00 H new ATOM 0 HB3 HIS A 88 1.957 -7.111 1.376 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.542 -8.543 2.368 1.00 0.00 H new ATOM 0 HE1 HIS A 88 1.923 -11.063 4.755 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.494 -10.281 4.362 1.00 0.00 H new ATOM 1393 N ILE A 89 2.449 -10.431 -0.960 1.00 0.00 N ATOM 1394 CA ILE A 89 2.741 -11.826 -1.231 1.00 0.00 C ATOM 1395 C ILE A 89 3.997 -12.042 -0.410 1.00 0.00 C ATOM 1396 O ILE A 89 5.002 -11.405 -0.715 1.00 0.00 O ATOM 1397 CB ILE A 89 2.998 -12.048 -2.746 1.00 0.00 C ATOM 1398 CG1 ILE A 89 1.723 -11.826 -3.586 1.00 0.00 C ATOM 1399 CG2 ILE A 89 3.584 -13.426 -3.069 1.00 0.00 C ATOM 1400 CD1 ILE A 89 1.986 -11.760 -5.097 1.00 0.00 C ATOM 0 H ILE A 89 3.275 -9.850 -1.103 1.00 0.00 H new ATOM 0 HA ILE A 89 1.934 -12.514 -0.979 1.00 0.00 H new ATOM 0 HB ILE A 89 3.743 -11.299 -3.015 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.019 -12.633 -3.383 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.245 -10.899 -3.268 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.738 -13.513 -4.145 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.538 -13.545 -2.555 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.894 -14.202 -2.738 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.045 -11.602 -5.624 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.665 -10.935 -5.312 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.435 -12.696 -5.429 1.00 0.00 H new ATOM 1412 N ASN A 90 3.940 -12.871 0.629 1.00 0.00 N ATOM 1413 CA ASN A 90 5.090 -13.350 1.393 1.00 0.00 C ATOM 1414 C ASN A 90 6.005 -12.258 1.963 1.00 0.00 C ATOM 1415 O ASN A 90 7.182 -12.521 2.200 1.00 0.00 O ATOM 1416 CB ASN A 90 5.846 -14.450 0.625 1.00 0.00 C ATOM 1417 CG ASN A 90 6.673 -14.049 -0.589 1.00 0.00 C ATOM 1418 OD1 ASN A 90 6.473 -14.592 -1.672 1.00 0.00 O ATOM 1419 ND2 ASN A 90 7.663 -13.194 -0.459 1.00 0.00 N ATOM 0 H ASN A 90 3.056 -13.243 0.976 1.00 0.00 H new ATOM 0 HA ASN A 90 4.674 -13.801 2.294 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.511 -14.949 1.330 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.115 -15.189 0.299 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.263 -12.983 -1.257 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.831 -12.741 0.439 1.00 0.00 H new ATOM 1426 N GLN A 91 5.470 -11.051 2.188 1.00 0.00 N ATOM 1427 CA GLN A 91 6.199 -9.851 2.624 1.00 0.00 C ATOM 1428 C GLN A 91 7.098 -9.263 1.523 1.00 0.00 C ATOM 1429 O GLN A 91 8.028 -8.524 1.837 1.00 0.00 O ATOM 1430 CB GLN A 91 7.017 -10.064 3.911 1.00 0.00 C ATOM 1431 CG GLN A 91 6.241 -10.634 5.098 1.00 0.00 C ATOM 1432 CD GLN A 91 7.143 -10.758 6.318 1.00 0.00 C ATOM 1433 OE1 GLN A 91 6.865 -10.191 7.369 1.00 0.00 O ATOM 1434 NE2 GLN A 91 8.254 -11.479 6.216 1.00 0.00 N ATOM 0 H GLN A 91 4.473 -10.876 2.066 1.00 0.00 H new ATOM 0 HA GLN A 91 5.415 -9.127 2.847 1.00 0.00 H new ATOM 0 HB2 GLN A 91 7.847 -10.734 3.686 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.450 -9.109 4.208 1.00 0.00 H new ATOM 0 HG2 GLN A 91 5.394 -9.988 5.329 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.835 -11.612 4.838 1.00 0.00 H new ATOM 0 HE21 GLN A 91 8.479 -11.948 5.339 1.00 0.00 H new ATOM 0 HE22 GLN A 91 8.882 -11.564 7.015 1.00 0.00 H new ATOM 1443 N ALA A 92 6.832 -9.537 0.244 1.00 0.00 N ATOM 1444 CA ALA A 92 7.552 -8.941 -0.876 1.00 0.00 C ATOM 1445 C ALA A 92 6.598 -8.044 -1.648 1.00 0.00 C ATOM 1446 O ALA A 92 5.390 -8.039 -1.386 1.00 0.00 O ATOM 1447 CB ALA A 92 8.109 -10.050 -1.780 1.00 0.00 C ATOM 0 H ALA A 92 6.101 -10.188 -0.043 1.00 0.00 H new ATOM 0 HA ALA A 92 8.389 -8.344 -0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.646 -9.602 -2.616 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.789 -10.679 -1.207 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.287 -10.657 -2.160 1.00 0.00 H new ATOM 1453 N THR A 93 7.126 -7.321 -2.627 1.00 0.00 N ATOM 1454 CA THR A 93 6.387 -6.805 -3.763 1.00 0.00 C ATOM 1455 C THR A 93 7.012 -7.438 -5.002 1.00 0.00 C ATOM 1456 O THR A 93 8.154 -7.918 -4.981 1.00 0.00 O ATOM 1457 CB THR A 93 6.345 -5.268 -3.754 1.00 0.00 C ATOM 1458 OG1 THR A 93 5.594 -4.772 -4.839 1.00 0.00 O ATOM 1459 CG2 THR A 93 7.717 -4.608 -3.737 1.00 0.00 C ATOM 0 H THR A 93 8.115 -7.071 -2.649 1.00 0.00 H new ATOM 0 HA THR A 93 5.331 -7.076 -3.736 1.00 0.00 H new ATOM 0 HB THR A 93 5.859 -5.005 -2.815 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.582 -3.793 -4.808 1.00 0.00 H new ATOM 0 HG21 THR A 93 7.599 -3.524 -3.732 1.00 0.00 H new ATOM 0 HG22 THR A 93 8.259 -4.919 -2.844 1.00 0.00 H new ATOM 0 HG23 THR A 93 8.276 -4.908 -4.623 1.00 0.00 H new ATOM 1467 N THR A 94 6.230 -7.505 -6.063 1.00 0.00 N ATOM 1468 CA THR A 94 6.570 -8.114 -7.331 1.00 0.00 C ATOM 1469 C THR A 94 5.614 -7.501 -8.353 1.00 0.00 C ATOM 1470 O THR A 94 4.639 -6.856 -7.968 1.00 0.00 O ATOM 1471 CB THR A 94 6.524 -9.643 -7.208 1.00 0.00 C ATOM 1472 OG1 THR A 94 6.679 -10.245 -8.474 1.00 0.00 O ATOM 1473 CG2 THR A 94 5.291 -10.167 -6.480 1.00 0.00 C ATOM 0 H THR A 94 5.288 -7.113 -6.061 1.00 0.00 H new ATOM 0 HA THR A 94 7.590 -7.914 -7.660 1.00 0.00 H new ATOM 0 HB THR A 94 7.367 -9.928 -6.578 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.649 -11.220 -8.379 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.331 -11.255 -6.433 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.266 -9.761 -5.469 1.00 0.00 H new ATOM 0 HG23 THR A 94 4.394 -9.860 -7.017 1.00 0.00 H new ATOM 1481 N LYS A 95 5.847 -7.692 -9.653 1.00 0.00 N ATOM 1482 CA LYS A 95 5.102 -7.010 -10.711 1.00 0.00 C ATOM 1483 C LYS A 95 3.584 -7.145 -10.535 1.00 0.00 C ATOM 1484 O LYS A 95 2.856 -6.160 -10.659 1.00 0.00 O ATOM 1485 CB LYS A 95 5.588 -7.529 -12.065 1.00 0.00 C ATOM 1486 CG LYS A 95 5.384 -6.483 -13.158 1.00 0.00 C ATOM 1487 CD LYS A 95 5.924 -6.961 -14.508 1.00 0.00 C ATOM 1488 CE LYS A 95 5.089 -8.137 -15.037 1.00 0.00 C ATOM 1489 NZ LYS A 95 5.185 -8.247 -16.502 1.00 0.00 N ATOM 0 H LYS A 95 6.563 -8.329 -10.003 1.00 0.00 H new ATOM 0 HA LYS A 95 5.297 -5.939 -10.654 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.644 -7.791 -12.000 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.049 -8.440 -12.324 1.00 0.00 H new ATOM 0 HG2 LYS A 95 4.322 -6.256 -13.251 1.00 0.00 H new ATOM 0 HG3 LYS A 95 5.884 -5.557 -12.873 1.00 0.00 H new ATOM 0 HD2 LYS A 95 5.903 -6.141 -15.226 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.965 -7.265 -14.402 1.00 0.00 H new ATOM 0 HE2 LYS A 95 5.432 -9.064 -14.578 1.00 0.00 H new ATOM 0 HE3 LYS A 95 4.046 -8.004 -14.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 4.610 -9.050 -16.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 4.835 -7.371 -16.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 6.177 -8.398 -16.775 1.00 0.00 H new ATOM 1503 N THR A 96 3.155 -8.337 -10.121 1.00 0.00 N ATOM 1504 CA THR A 96 1.815 -8.717 -9.700 1.00 0.00 C ATOM 1505 C THR A 96 1.172 -7.681 -8.769 1.00 0.00 C ATOM 1506 O THR A 96 0.046 -7.247 -9.008 1.00 0.00 O ATOM 1507 CB THR A 96 1.959 -10.079 -8.996 1.00 0.00 C ATOM 1508 OG1 THR A 96 2.714 -10.977 -9.794 1.00 0.00 O ATOM 1509 CG2 THR A 96 0.617 -10.703 -8.632 1.00 0.00 C ATOM 0 H THR A 96 3.797 -9.128 -10.069 1.00 0.00 H new ATOM 0 HA THR A 96 1.152 -8.775 -10.563 1.00 0.00 H new ATOM 0 HB THR A 96 2.488 -9.890 -8.062 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.797 -11.836 -9.330 1.00 0.00 H new ATOM 0 HG21 THR A 96 0.783 -11.661 -8.139 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.077 -10.037 -7.959 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.030 -10.858 -9.537 1.00 0.00 H new ATOM 1517 N THR A 97 1.859 -7.322 -7.688 1.00 0.00 N ATOM 1518 CA THR A 97 1.356 -6.508 -6.595 1.00 0.00 C ATOM 1519 C THR A 97 1.857 -5.062 -6.699 1.00 0.00 C ATOM 1520 O THR A 97 1.281 -4.193 -6.055 1.00 0.00 O ATOM 1521 CB THR A 97 1.765 -7.173 -5.268 1.00 0.00 C ATOM 1522 OG1 THR A 97 3.093 -7.647 -5.369 1.00 0.00 O ATOM 1523 CG2 THR A 97 0.866 -8.374 -4.936 1.00 0.00 C ATOM 0 H THR A 97 2.828 -7.607 -7.548 1.00 0.00 H new ATOM 0 HA THR A 97 0.269 -6.451 -6.643 1.00 0.00 H new ATOM 0 HB THR A 97 1.668 -6.423 -4.483 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.355 -8.069 -4.524 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.185 -8.818 -3.993 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.168 -8.041 -4.849 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.943 -9.116 -5.730 1.00 0.00 H new ATOM 1531 N PHE A 98 2.842 -4.775 -7.552 1.00 0.00 N ATOM 1532 CA PHE A 98 3.376 -3.456 -7.873 1.00 0.00 C ATOM 1533 C PHE A 98 2.271 -2.640 -8.531 1.00 0.00 C ATOM 1534 O PHE A 98 1.885 -1.600 -8.004 1.00 0.00 O ATOM 1535 CB PHE A 98 4.627 -3.597 -8.771 1.00 0.00 C ATOM 1536 CG PHE A 98 4.772 -2.601 -9.915 1.00 0.00 C ATOM 1537 CD1 PHE A 98 4.927 -1.227 -9.657 1.00 0.00 C ATOM 1538 CD2 PHE A 98 4.699 -3.045 -11.251 1.00 0.00 C ATOM 1539 CE1 PHE A 98 5.009 -0.308 -10.716 1.00 0.00 C ATOM 1540 CE2 PHE A 98 4.792 -2.130 -12.311 1.00 0.00 C ATOM 1541 CZ PHE A 98 4.945 -0.761 -12.045 1.00 0.00 C ATOM 0 H PHE A 98 3.319 -5.512 -8.072 1.00 0.00 H new ATOM 0 HA PHE A 98 3.697 -2.934 -6.972 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.510 -3.516 -8.137 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.629 -4.602 -9.194 1.00 0.00 H new ATOM 0 HD1 PHE A 98 4.983 -0.876 -8.637 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.571 -4.097 -11.460 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.121 0.746 -10.509 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.746 -2.480 -13.332 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.014 -0.056 -12.860 1.00 0.00 H new ATOM 1551 N LYS A 99 1.741 -3.134 -9.655 1.00 0.00 N ATOM 1552 CA LYS A 99 0.714 -2.481 -10.464 1.00 0.00 C ATOM 1553 C LYS A 99 -0.457 -1.983 -9.608 1.00 0.00 C ATOM 1554 O LYS A 99 -0.820 -0.812 -9.748 1.00 0.00 O ATOM 1555 CB LYS A 99 0.236 -3.462 -11.546 1.00 0.00 C ATOM 1556 CG LYS A 99 1.148 -3.462 -12.782 1.00 0.00 C ATOM 1557 CD LYS A 99 0.531 -2.755 -13.996 1.00 0.00 C ATOM 1558 CE LYS A 99 1.421 -3.014 -15.218 1.00 0.00 C ATOM 1559 NZ LYS A 99 1.058 -2.149 -16.357 1.00 0.00 N ATOM 0 H LYS A 99 2.029 -4.034 -10.038 1.00 0.00 H new ATOM 0 HA LYS A 99 1.145 -1.599 -10.937 1.00 0.00 H new ATOM 0 HB2 LYS A 99 0.195 -4.468 -11.128 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.779 -3.201 -11.847 1.00 0.00 H new ATOM 0 HG2 LYS A 99 2.090 -2.977 -12.529 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.382 -4.492 -13.051 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.478 -3.126 -14.177 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.448 -1.684 -13.809 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.464 -2.843 -14.950 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.335 -4.059 -15.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.683 -2.355 -17.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 0.071 -2.330 -16.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.164 -1.151 -16.083 1.00 0.00 H new ATOM 1573 N PRO A 100 -1.075 -2.808 -8.743 1.00 0.00 N ATOM 1574 CA PRO A 100 -2.150 -2.329 -7.889 1.00 0.00 C ATOM 1575 C PRO A 100 -1.632 -1.471 -6.726 1.00 0.00 C ATOM 1576 O PRO A 100 -2.341 -0.560 -6.314 1.00 0.00 O ATOM 1577 CB PRO A 100 -2.866 -3.593 -7.419 1.00 0.00 C ATOM 1578 CG PRO A 100 -1.743 -4.619 -7.346 1.00 0.00 C ATOM 1579 CD PRO A 100 -0.921 -4.252 -8.581 1.00 0.00 C ATOM 0 HA PRO A 100 -2.828 -1.662 -8.422 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.344 -3.449 -6.450 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.646 -3.898 -8.117 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.165 -4.531 -6.426 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.117 -5.642 -7.390 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.127 -4.522 -8.448 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.278 -4.785 -9.462 1.00 0.00 H new ATOM 1587 N ASN A 101 -0.415 -1.682 -6.208 1.00 0.00 N ATOM 1588 CA ASN A 101 0.102 -0.897 -5.091 1.00 0.00 C ATOM 1589 C ASN A 101 0.193 0.582 -5.452 1.00 0.00 C ATOM 1590 O ASN A 101 -0.043 1.415 -4.583 1.00 0.00 O ATOM 1591 CB ASN A 101 1.488 -1.389 -4.654 1.00 0.00 C ATOM 1592 CG ASN A 101 1.471 -2.118 -3.325 1.00 0.00 C ATOM 1593 OD1 ASN A 101 1.510 -1.481 -2.289 1.00 0.00 O ATOM 1594 ND2 ASN A 101 1.404 -3.440 -3.330 1.00 0.00 N ATOM 0 H ASN A 101 0.229 -2.395 -6.550 1.00 0.00 H new ATOM 0 HA ASN A 101 -0.599 -1.025 -4.266 1.00 0.00 H new ATOM 0 HB2 ASN A 101 1.889 -2.053 -5.420 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.164 -0.537 -4.585 1.00 0.00 H new ATOM 0 HD21 ASN A 101 1.384 -3.953 -2.449 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.373 -3.946 -4.215 1.00 0.00 H new ATOM 1601 N THR A 102 0.510 0.933 -6.706 1.00 0.00 N ATOM 1602 CA THR A 102 0.694 2.343 -7.059 1.00 0.00 C ATOM 1603 C THR A 102 -0.618 3.133 -6.830 1.00 0.00 C ATOM 1604 O THR A 102 -0.588 4.291 -6.423 1.00 0.00 O ATOM 1605 CB THR A 102 1.319 2.535 -8.467 1.00 0.00 C ATOM 1606 OG1 THR A 102 0.402 2.974 -9.452 1.00 0.00 O ATOM 1607 CG2 THR A 102 2.003 1.303 -9.075 1.00 0.00 C ATOM 0 H THR A 102 0.641 0.276 -7.475 1.00 0.00 H new ATOM 0 HA THR A 102 1.436 2.771 -6.385 1.00 0.00 H new ATOM 0 HB THR A 102 2.065 3.296 -8.239 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.866 3.074 -10.309 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.402 1.556 -10.057 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.817 0.981 -8.425 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.277 0.496 -9.175 1.00 0.00 H new ATOM 1615 N TRP A 103 -1.785 2.496 -6.993 1.00 0.00 N ATOM 1616 CA TRP A 103 -3.093 3.071 -6.705 1.00 0.00 C ATOM 1617 C TRP A 103 -3.230 3.384 -5.214 1.00 0.00 C ATOM 1618 O TRP A 103 -3.783 4.428 -4.868 1.00 0.00 O ATOM 1619 CB TRP A 103 -4.205 2.120 -7.173 1.00 0.00 C ATOM 1620 CG TRP A 103 -4.390 1.992 -8.656 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -3.838 1.055 -9.459 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -5.227 2.807 -9.526 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -4.308 1.204 -10.751 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -5.181 2.268 -10.845 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -6.045 3.936 -9.323 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -5.936 2.817 -11.895 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -6.782 4.512 -10.373 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -6.733 3.949 -11.659 1.00 0.00 C ATOM 0 H TRP A 103 -1.840 1.538 -7.339 1.00 0.00 H new ATOM 0 HA TRP A 103 -3.190 4.008 -7.253 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -4.001 1.129 -6.767 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -5.147 2.455 -6.738 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -3.134 0.301 -9.139 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -4.043 0.605 -11.533 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -6.108 4.370 -8.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -5.904 2.371 -12.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -7.386 5.388 -10.190 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -7.306 4.385 -12.464 1.00 0.00 H new ATOM 1639 N CYS A 104 -2.693 2.540 -4.327 1.00 0.00 N ATOM 1640 CA CYS A 104 -2.657 2.855 -2.906 1.00 0.00 C ATOM 1641 C CYS A 104 -1.784 4.082 -2.663 1.00 0.00 C ATOM 1642 O CYS A 104 -2.224 4.991 -1.971 1.00 0.00 O ATOM 1643 CB CYS A 104 -2.161 1.661 -2.080 1.00 0.00 C ATOM 1644 SG CYS A 104 -2.368 2.055 -0.319 1.00 0.00 S ATOM 0 H CYS A 104 -2.281 1.640 -4.572 1.00 0.00 H new ATOM 0 HA CYS A 104 -3.674 3.077 -2.581 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -2.723 0.763 -2.336 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -1.114 1.455 -2.302 1.00 0.00 H new ATOM 0 HG CYS A 104 -2.988 1.078 0.274 1.00 0.00 H new ATOM 1650 N LEU A 105 -0.579 4.147 -3.243 1.00 0.00 N ATOM 1651 CA LEU A 105 0.355 5.246 -2.992 1.00 0.00 C ATOM 1652 C LEU A 105 -0.305 6.550 -3.445 1.00 0.00 C ATOM 1653 O LEU A 105 -0.240 7.545 -2.731 1.00 0.00 O ATOM 1654 CB LEU A 105 1.705 4.975 -3.696 1.00 0.00 C ATOM 1655 CG LEU A 105 2.410 3.687 -3.214 1.00 0.00 C ATOM 1656 CD1 LEU A 105 3.640 3.365 -4.070 1.00 0.00 C ATOM 1657 CD2 LEU A 105 2.847 3.769 -1.749 1.00 0.00 C ATOM 0 H LEU A 105 -0.228 3.444 -3.894 1.00 0.00 H new ATOM 0 HA LEU A 105 0.581 5.331 -1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.537 4.906 -4.771 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.368 5.825 -3.531 1.00 0.00 H new ATOM 0 HG LEU A 105 1.670 2.894 -3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.111 2.453 -3.702 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.335 3.223 -5.107 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.351 4.189 -4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.337 2.838 -1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.543 4.599 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.973 3.929 -1.117 1.00 0.00 H new ATOM 1669 N ARG A 106 -1.059 6.517 -4.548 1.00 0.00 N ATOM 1670 CA ARG A 106 -1.852 7.644 -5.052 1.00 0.00 C ATOM 1671 C ARG A 106 -2.960 8.128 -4.120 1.00 0.00 C ATOM 1672 O ARG A 106 -3.512 9.201 -4.372 1.00 0.00 O ATOM 1673 CB ARG A 106 -2.451 7.232 -6.397 1.00 0.00 C ATOM 1674 CG ARG A 106 -1.352 7.243 -7.447 1.00 0.00 C ATOM 1675 CD ARG A 106 -1.823 6.690 -8.787 1.00 0.00 C ATOM 1676 NE ARG A 106 -1.129 7.318 -9.918 1.00 0.00 N ATOM 1677 CZ ARG A 106 0.082 6.991 -10.378 1.00 0.00 C ATOM 1678 NH1 ARG A 106 0.836 6.092 -9.749 1.00 0.00 N ATOM 1679 NH2 ARG A 106 0.543 7.579 -11.472 1.00 0.00 N ATOM 0 H ARG A 106 -1.137 5.684 -5.131 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.173 8.492 -5.139 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.894 6.239 -6.324 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.250 7.917 -6.680 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.994 8.263 -7.584 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.507 6.654 -7.091 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.657 5.613 -8.813 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.897 6.849 -8.887 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.617 8.075 -10.397 1.00 0.00 H new ATOM 0 HH11 ARG A 106 0.491 5.641 -8.902 1.00 0.00 H new ATOM 0 HH12 ARG A 106 1.758 5.854 -10.114 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.025 8.275 -11.955 1.00 0.00 H new ATOM 0 HH22 ARG A 106 1.466 7.336 -11.831 1.00 0.00 H new ATOM 1693 N CYS A 107 -3.325 7.359 -3.096 1.00 0.00 N ATOM 1694 CA CYS A 107 -4.250 7.797 -2.066 1.00 0.00 C ATOM 1695 C CYS A 107 -3.530 8.604 -0.986 1.00 0.00 C ATOM 1696 O CYS A 107 -4.170 9.451 -0.367 1.00 0.00 O ATOM 1697 CB CYS A 107 -4.957 6.579 -1.449 1.00 0.00 C ATOM 1698 SG CYS A 107 -6.716 6.615 -1.873 1.00 0.00 S ATOM 0 H CYS A 107 -2.982 6.408 -2.962 1.00 0.00 H new ATOM 0 HA CYS A 107 -4.995 8.447 -2.524 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -4.503 5.658 -1.816 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -4.834 6.585 -0.366 1.00 0.00 H new ATOM 0 HG CYS A 107 -7.309 5.583 -1.351 1.00 0.00 H new ATOM 1704 N LEU A 108 -2.242 8.354 -0.718 1.00 0.00 N ATOM 1705 CA LEU A 108 -1.490 9.105 0.280 1.00 0.00 C ATOM 1706 C LEU A 108 -1.157 10.508 -0.225 1.00 0.00 C ATOM 1707 O LEU A 108 -1.047 11.421 0.592 1.00 0.00 O ATOM 1708 CB LEU A 108 -0.158 8.404 0.553 1.00 0.00 C ATOM 1709 CG LEU A 108 -0.171 7.088 1.336 1.00 0.00 C ATOM 1710 CD1 LEU A 108 -0.403 7.330 2.831 1.00 0.00 C ATOM 1711 CD2 LEU A 108 -1.110 6.000 0.842 1.00 0.00 C ATOM 0 H LEU A 108 -1.700 7.629 -1.187 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.105 9.164 1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.319 8.213 -0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.480 9.104 1.092 1.00 0.00 H new ATOM 0 HG LEU A 108 0.828 6.692 1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.407 6.376 3.358 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.395 7.959 3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.362 7.827 2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.021 5.123 1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.136 6.366 0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -0.847 5.729 -0.181 1.00 0.00 H new ATOM 1723 N TRP A 109 -0.951 10.646 -1.539 1.00 0.00 N ATOM 1724 CA TRP A 109 -0.566 11.857 -2.247 1.00 0.00 C ATOM 1725 C TRP A 109 -1.450 13.035 -1.809 1.00 0.00 C ATOM 1726 O TRP A 109 -2.676 12.913 -1.775 1.00 0.00 O ATOM 1727 CB TRP A 109 -0.680 11.561 -3.755 1.00 0.00 C ATOM 1728 CG TRP A 109 0.307 10.630 -4.407 1.00 0.00 C ATOM 1729 CD1 TRP A 109 1.236 9.858 -3.800 1.00 0.00 C ATOM 1730 CD2 TRP A 109 0.454 10.348 -5.832 1.00 0.00 C ATOM 1731 NE1 TRP A 109 1.972 9.168 -4.743 1.00 0.00 N ATOM 1732 CE2 TRP A 109 1.526 9.427 -6.015 1.00 0.00 C ATOM 1733 CE3 TRP A 109 -0.243 10.744 -6.990 1.00 0.00 C ATOM 1734 CZ2 TRP A 109 1.931 8.977 -7.279 1.00 0.00 C ATOM 1735 CZ3 TRP A 109 0.134 10.284 -8.266 1.00 0.00 C ATOM 1736 CH2 TRP A 109 1.218 9.399 -8.410 1.00 0.00 C ATOM 0 H TRP A 109 -1.058 9.855 -2.174 1.00 0.00 H new ATOM 0 HA TRP A 109 0.459 12.146 -2.015 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -1.676 11.157 -3.934 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -0.624 12.515 -4.280 1.00 0.00 H new ATOM 0 HD1 TRP A 109 1.382 9.791 -2.732 1.00 0.00 H new ATOM 0 HE1 TRP A 109 2.749 8.545 -4.522 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -1.084 11.415 -6.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 2.779 8.316 -7.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -0.412 10.612 -9.138 1.00 0.00 H new ATOM 0 HH2 TRP A 109 1.501 9.045 -9.390 1.00 0.00 H new ATOM 1747 N SER A 110 -0.836 14.158 -1.441 1.00 0.00 N ATOM 1748 CA SER A 110 -1.516 15.350 -0.966 1.00 0.00 C ATOM 1749 C SER A 110 -2.132 16.092 -2.141 1.00 0.00 C ATOM 1750 O SER A 110 -1.555 16.196 -3.225 1.00 0.00 O ATOM 1751 CB SER A 110 -0.518 16.247 -0.228 1.00 0.00 C ATOM 1752 OG SER A 110 -1.134 17.384 0.345 1.00 0.00 O ATOM 0 H SER A 110 0.178 14.261 -1.468 1.00 0.00 H new ATOM 0 HA SER A 110 -2.312 15.068 -0.277 1.00 0.00 H new ATOM 0 HB2 SER A 110 -0.026 15.670 0.555 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.258 16.569 -0.922 1.00 0.00 H new ATOM 0 HG SER A 110 -0.459 17.924 0.806 1.00 0.00 H new ATOM 1758 N THR A 111 -3.321 16.632 -1.921 1.00 0.00 N ATOM 1759 CA THR A 111 -3.988 17.555 -2.814 1.00 0.00 C ATOM 1760 C THR A 111 -3.254 18.901 -2.730 1.00 0.00 C ATOM 1761 O THR A 111 -3.430 19.654 -1.769 1.00 0.00 O ATOM 1762 CB THR A 111 -5.485 17.531 -2.443 1.00 0.00 C ATOM 1763 OG1 THR A 111 -5.708 17.492 -1.041 1.00 0.00 O ATOM 1764 CG2 THR A 111 -6.063 16.200 -2.935 1.00 0.00 C ATOM 0 H THR A 111 -3.865 16.429 -1.082 1.00 0.00 H new ATOM 0 HA THR A 111 -3.951 17.296 -3.872 1.00 0.00 H new ATOM 0 HB THR A 111 -5.929 18.427 -2.876 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.672 17.480 -0.863 1.00 0.00 H new ATOM 0 HG21 THR A 111 -7.123 16.150 -2.688 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.938 16.126 -4.015 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.539 15.375 -2.452 1.00 0.00 H new ATOM 1772 N LYS A 112 -2.339 19.151 -3.677 1.00 0.00 N ATOM 1773 CA LYS A 112 -1.351 20.225 -3.624 1.00 0.00 C ATOM 1774 C LYS A 112 -1.311 20.982 -4.959 1.00 0.00 C ATOM 1775 O LYS A 112 -0.512 20.620 -5.826 1.00 0.00 O ATOM 1776 CB LYS A 112 0.020 19.649 -3.226 1.00 0.00 C ATOM 1777 CG LYS A 112 0.244 19.730 -1.708 1.00 0.00 C ATOM 1778 CD LYS A 112 0.677 21.142 -1.278 1.00 0.00 C ATOM 1779 CE LYS A 112 2.194 21.303 -1.465 1.00 0.00 C ATOM 1780 NZ LYS A 112 2.611 22.718 -1.419 1.00 0.00 N ATOM 0 H LYS A 112 -2.268 18.590 -4.526 1.00 0.00 H new ATOM 0 HA LYS A 112 -1.634 20.951 -2.862 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.088 18.611 -3.550 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.809 20.196 -3.741 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.674 19.455 -1.188 1.00 0.00 H new ATOM 0 HG3 LYS A 112 1.006 19.009 -1.412 1.00 0.00 H new ATOM 0 HD2 LYS A 112 0.148 21.890 -1.868 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.410 21.312 -0.235 1.00 0.00 H new ATOM 0 HE2 LYS A 112 2.716 20.746 -0.687 1.00 0.00 H new ATOM 0 HE3 LYS A 112 2.489 20.869 -2.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 3.641 22.781 -1.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 2.133 23.246 -2.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 2.353 23.126 -0.498 1.00 0.00 H new ATOM 1794 N PRO A 113 -2.144 22.025 -5.121 1.00 0.00 N ATOM 1795 CA PRO A 113 -2.170 22.852 -6.317 1.00 0.00 C ATOM 1796 C PRO A 113 -0.877 23.659 -6.418 1.00 0.00 C ATOM 1797 O PRO A 113 -0.310 24.078 -5.400 1.00 0.00 O ATOM 1798 CB PRO A 113 -3.399 23.755 -6.163 1.00 0.00 C ATOM 1799 CG PRO A 113 -3.577 23.857 -4.646 1.00 0.00 C ATOM 1800 CD PRO A 113 -3.081 22.515 -4.128 1.00 0.00 C ATOM 0 HA PRO A 113 -2.237 22.265 -7.233 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -3.238 24.734 -6.615 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -4.277 23.323 -6.642 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -3.000 24.683 -4.231 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -4.619 24.029 -4.377 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -2.598 22.626 -3.157 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -3.908 21.818 -3.995 1.00 0.00 H new ATOM 1808 N VAL A 114 -0.445 23.941 -7.642 1.00 0.00 N ATOM 1809 CA VAL A 114 0.686 24.804 -7.941 1.00 0.00 C ATOM 1810 C VAL A 114 0.288 25.638 -9.163 1.00 0.00 C ATOM 1811 O VAL A 114 0.582 25.325 -10.316 1.00 0.00 O ATOM 1812 CB VAL A 114 1.986 23.969 -8.015 1.00 0.00 C ATOM 1813 CG1 VAL A 114 2.041 22.979 -9.188 1.00 0.00 C ATOM 1814 CG2 VAL A 114 3.226 24.872 -7.985 1.00 0.00 C ATOM 0 H VAL A 114 -0.888 23.562 -8.479 1.00 0.00 H new ATOM 0 HA VAL A 114 0.927 25.524 -7.159 1.00 0.00 H new ATOM 0 HB VAL A 114 1.981 23.347 -7.120 1.00 0.00 H new ATOM 0 HG11 VAL A 114 2.986 22.437 -9.162 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.215 22.272 -9.107 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.961 23.524 -10.128 1.00 0.00 H new ATOM 0 HG21 VAL A 114 4.125 24.258 -8.038 1.00 0.00 H new ATOM 0 HG22 VAL A 114 3.201 25.553 -8.836 1.00 0.00 H new ATOM 0 HG23 VAL A 114 3.234 25.448 -7.060 1.00 0.00 H new ATOM 1824 N ASP A 115 -0.525 26.649 -8.897 1.00 0.00 N ATOM 1825 CA ASP A 115 -1.095 27.633 -9.806 1.00 0.00 C ATOM 1826 C ASP A 115 -2.391 27.181 -10.483 1.00 0.00 C ATOM 1827 O ASP A 115 -3.014 27.980 -11.178 1.00 0.00 O ATOM 1828 CB ASP A 115 -0.073 28.178 -10.804 1.00 0.00 C ATOM 1829 CG ASP A 115 -0.533 29.531 -11.339 1.00 0.00 C ATOM 1830 OD1 ASP A 115 -0.780 30.454 -10.518 1.00 0.00 O ATOM 1831 OD2 ASP A 115 -0.547 29.743 -12.567 1.00 0.00 O ATOM 0 H ASP A 115 -0.834 26.818 -7.940 1.00 0.00 H new ATOM 0 HA ASP A 115 -1.384 28.467 -9.167 1.00 0.00 H new ATOM 0 HB2 ASP A 115 0.899 28.280 -10.322 1.00 0.00 H new ATOM 0 HB3 ASP A 115 0.052 27.476 -11.628 1.00 0.00 H new ATOM 1836 N THR A 116 -2.839 25.955 -10.188 1.00 0.00 N ATOM 1837 CA THR A 116 -4.037 25.303 -10.704 1.00 0.00 C ATOM 1838 C THR A 116 -3.890 25.063 -12.202 1.00 0.00 C ATOM 1839 O THR A 116 -3.466 23.944 -12.569 1.00 0.00 O ATOM 1840 CB THR A 116 -5.311 26.064 -10.302 1.00 0.00 C ATOM 1841 OG1 THR A 116 -5.336 26.273 -8.901 1.00 0.00 O ATOM 1842 CG2 THR A 116 -6.572 25.268 -10.649 1.00 0.00 C ATOM 0 H THR A 116 -2.335 25.354 -9.536 1.00 0.00 H new ATOM 0 HA THR A 116 -4.149 24.321 -10.244 1.00 0.00 H new ATOM 0 HB THR A 116 -5.297 27.008 -10.847 1.00 0.00 H new ATOM 0 HG1 THR A 116 -6.151 26.760 -8.657 1.00 0.00 H new ATOM 0 HG21 THR A 116 -7.454 25.835 -10.351 1.00 0.00 H new ATOM 0 HG22 THR A 116 -6.603 25.086 -11.723 1.00 0.00 H new ATOM 0 HG23 THR A 116 -6.558 24.315 -10.120 1.00 0.00 H new TER 1850 THR A 116