USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 971 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 60 ASN : amide:sc= -6.82! C(o=-41!,f=-50!) USER MOD Set 1.2: A 62 HIS : no HE2:sc= -13.7! C(o=-41!,f=-42!) USER MOD Set 1.3: A 95 HIS :FLIP no HD1:sc= -20.3! C(o=-43!,f=-41!) USER MOD Set 1.4: A 109 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 26 MET CE :methyl 167:sc= -15.6! (180deg=-12.5!) USER MOD Set 2.2: A 70 SER OG : rot 133:sc= -4.21! USER MOD Single : A 1 VAL N :NH3+ -160:sc= -0.372 (180deg=-1.02) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 164:sc=-0.00616 (180deg=-0.147) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.224 USER MOD Single : A 10 LYS NZ :NH3+ -144:sc= -0.425 (180deg=-2.33!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 35:sc= -0.168 USER MOD Single : A 15 THR OG1 : rot -2:sc= 0.902 USER MOD Single : A 19 GLN :FLIP amide:sc= -3.66 F(o=-5!,f=-3.7) USER MOD Single : A 25 ASN : amide:sc= -6.31! C(o=-6.3!,f=-16!) USER MOD Single : A 28 MET CE :methyl -161:sc= -10.2! (180deg=-13!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -1.2 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -7.35! C(o=-7.3!,f=-18!) USER MOD Single : A 40 TYR OH : rot 30:sc= -3.45! USER MOD Single : A 44 CYS SG : rot 15:sc= -4.95! USER MOD Single : A 45 TYR OH : rot -15:sc= -0.982! USER MOD Single : A 49 SER OG : rot 145:sc= -0.926 USER MOD Single : A 50 THR OG1 : rot -93:sc= -0.158 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.323 USER MOD Single : A 55 SER OG : rot 180:sc= 0.00644 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot -165:sc= -3.56! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -10.2! C(o=-10!,f=-15!) USER MOD Single : A 69 SER OG : rot -130:sc= -1.1 USER MOD Single : A 71 GLN : amide:sc= -0.056 X(o=-0.056,f=0) USER MOD Single : A 74 GLN : amide:sc= -5.16! C(o=-5.2!,f=-8.4!) USER MOD Single : A 80 TYR OH : rot 120:sc= 0.408 USER MOD Single : A 81 THR OG1 : rot 76:sc= -5.56! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc=-0.00107 X(o=-0.0011,f=-0.0011) USER MOD Single : A 84 MET CE :methyl 174:sc= -9.41! (180deg=-9.52!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0807 X(o=-0.081,f=-0.037) USER MOD Single : A 99 GLN : amide:sc= -0.146 K(o=-0.15,f=-1.1) USER MOD Single : A 101 HIS : no HD1:sc= -12! C(o=-12!,f=-13!) USER MOD Single : A 103 SER OG : rot 180:sc= -0.966! USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ -152:sc= -0.704 (180deg=-1.43) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 159:sc= -0.0679 (180deg=-0.642) USER MOD Single : A 118 GLN : amide:sc= -1.63 X(o=-1.6,f=-1.2) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 125 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 11.953 -16.801 -27.849 1.00 0.00 N ATOM 2 CA VAL A 1 13.429 -16.965 -27.972 1.00 0.00 C ATOM 3 C VAL A 1 14.096 -15.588 -27.972 1.00 0.00 C ATOM 4 O VAL A 1 13.713 -14.708 -28.716 1.00 0.00 O ATOM 5 CB VAL A 1 13.754 -17.688 -29.280 1.00 0.00 C ATOM 6 CG1 VAL A 1 15.252 -17.996 -29.335 1.00 0.00 C ATOM 7 CG2 VAL A 1 12.963 -18.998 -29.347 1.00 0.00 C ATOM 0 H1 VAL A 1 11.532 -17.691 -27.513 1.00 0.00 H new ATOM 0 H2 VAL A 1 11.743 -16.041 -27.171 1.00 0.00 H new ATOM 0 H3 VAL A 1 11.552 -16.557 -28.777 1.00 0.00 H new ATOM 0 HA VAL A 1 13.801 -17.550 -27.131 1.00 0.00 H new ATOM 0 HB VAL A 1 13.482 -17.053 -30.123 1.00 0.00 H new ATOM 0 HG11 VAL A 1 15.484 -18.511 -30.267 1.00 0.00 H new ATOM 0 HG12 VAL A 1 15.817 -17.065 -29.285 1.00 0.00 H new ATOM 0 HG13 VAL A 1 15.524 -18.631 -28.492 1.00 0.00 H new ATOM 0 HG21 VAL A 1 13.193 -19.515 -30.279 1.00 0.00 H new ATOM 0 HG22 VAL A 1 13.236 -19.632 -28.503 1.00 0.00 H new ATOM 0 HG23 VAL A 1 11.896 -18.781 -29.307 1.00 0.00 H new ATOM 19 N GLU A 2 15.093 -15.407 -27.138 1.00 0.00 N ATOM 20 CA GLU A 2 15.811 -14.095 -27.061 1.00 0.00 C ATOM 21 C GLU A 2 14.846 -12.939 -27.343 1.00 0.00 C ATOM 22 O GLU A 2 14.612 -12.572 -28.476 1.00 0.00 O ATOM 23 CB GLU A 2 16.969 -14.071 -28.069 1.00 0.00 C ATOM 24 CG GLU A 2 16.433 -14.146 -29.503 1.00 0.00 C ATOM 25 CD GLU A 2 17.556 -14.594 -30.440 1.00 0.00 C ATOM 26 OE1 GLU A 2 18.659 -14.794 -29.959 1.00 0.00 O ATOM 27 OE2 GLU A 2 17.294 -14.730 -31.624 1.00 0.00 O ATOM 0 H GLU A 2 15.443 -16.122 -26.500 1.00 0.00 H new ATOM 0 HA GLU A 2 16.212 -13.976 -26.054 1.00 0.00 H new ATOM 0 HB2 GLU A 2 17.553 -13.160 -27.940 1.00 0.00 H new ATOM 0 HB3 GLU A 2 17.640 -14.909 -27.881 1.00 0.00 H new ATOM 0 HG2 GLU A 2 15.599 -14.846 -29.556 1.00 0.00 H new ATOM 0 HG3 GLU A 2 16.052 -13.173 -29.812 1.00 0.00 H new ATOM 34 N LEU A 3 14.281 -12.364 -26.316 1.00 0.00 N ATOM 35 CA LEU A 3 13.331 -11.235 -26.527 1.00 0.00 C ATOM 36 C LEU A 3 14.002 -10.155 -27.378 1.00 0.00 C ATOM 37 O LEU A 3 13.362 -9.483 -28.162 1.00 0.00 O ATOM 38 CB LEU A 3 12.923 -10.649 -25.170 1.00 0.00 C ATOM 39 CG LEU A 3 14.102 -9.893 -24.553 1.00 0.00 C ATOM 40 CD1 LEU A 3 13.604 -9.035 -23.389 1.00 0.00 C ATOM 41 CD2 LEU A 3 15.137 -10.896 -24.035 1.00 0.00 C ATOM 0 H LEU A 3 14.436 -12.626 -25.343 1.00 0.00 H new ATOM 0 HA LEU A 3 12.442 -11.598 -27.043 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.074 -9.977 -25.295 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.602 -11.447 -24.501 1.00 0.00 H new ATOM 0 HG LEU A 3 14.558 -9.254 -25.309 1.00 0.00 H new ATOM 0 HD11 LEU A 3 14.443 -8.496 -22.949 1.00 0.00 H new ATOM 0 HD12 LEU A 3 12.865 -8.321 -23.753 1.00 0.00 H new ATOM 0 HD13 LEU A 3 13.148 -9.675 -22.634 1.00 0.00 H new ATOM 0 HD21 LEU A 3 15.977 -10.358 -23.596 1.00 0.00 H new ATOM 0 HD22 LEU A 3 14.679 -11.534 -23.279 1.00 0.00 H new ATOM 0 HD23 LEU A 3 15.493 -11.511 -24.861 1.00 0.00 H new ATOM 53 N SER A 4 15.287 -9.984 -27.233 1.00 0.00 N ATOM 54 CA SER A 4 15.996 -8.947 -28.035 1.00 0.00 C ATOM 55 C SER A 4 15.526 -9.013 -29.490 1.00 0.00 C ATOM 56 O SER A 4 15.228 -10.071 -30.005 1.00 0.00 O ATOM 57 CB SER A 4 17.503 -9.198 -27.974 1.00 0.00 C ATOM 58 OG SER A 4 18.145 -8.454 -29.002 1.00 0.00 O ATOM 0 H SER A 4 15.877 -10.517 -26.594 1.00 0.00 H new ATOM 0 HA SER A 4 15.774 -7.960 -27.628 1.00 0.00 H new ATOM 0 HB2 SER A 4 17.893 -8.905 -26.999 1.00 0.00 H new ATOM 0 HB3 SER A 4 17.711 -10.261 -28.094 1.00 0.00 H new ATOM 0 HG SER A 4 19.112 -8.611 -28.965 1.00 0.00 H new ATOM 64 N LYS A 5 15.463 -7.887 -30.151 1.00 0.00 N ATOM 65 CA LYS A 5 15.017 -7.867 -31.575 1.00 0.00 C ATOM 66 C LYS A 5 13.488 -7.929 -31.645 1.00 0.00 C ATOM 67 O LYS A 5 12.835 -6.960 -31.976 1.00 0.00 O ATOM 68 CB LYS A 5 15.611 -9.066 -32.320 1.00 0.00 C ATOM 69 CG LYS A 5 15.570 -8.803 -33.826 1.00 0.00 C ATOM 70 CD LYS A 5 15.830 -10.108 -34.580 1.00 0.00 C ATOM 71 CE LYS A 5 16.812 -9.851 -35.725 1.00 0.00 C ATOM 72 NZ LYS A 5 16.621 -10.883 -36.783 1.00 0.00 N ATOM 0 H LYS A 5 15.703 -6.975 -29.763 1.00 0.00 H new ATOM 0 HA LYS A 5 15.361 -6.943 -32.041 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.638 -9.235 -31.998 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.050 -9.970 -32.083 1.00 0.00 H new ATOM 0 HG2 LYS A 5 14.599 -8.395 -34.108 1.00 0.00 H new ATOM 0 HG3 LYS A 5 16.319 -8.059 -34.096 1.00 0.00 H new ATOM 0 HD2 LYS A 5 16.236 -10.858 -33.901 1.00 0.00 H new ATOM 0 HD3 LYS A 5 14.894 -10.506 -34.972 1.00 0.00 H new ATOM 0 HE2 LYS A 5 16.652 -8.856 -36.139 1.00 0.00 H new ATOM 0 HE3 LYS A 5 17.836 -9.881 -35.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.288 -10.709 -37.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 16.795 -11.827 -36.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.647 -10.834 -37.144 1.00 0.00 H new ATOM 86 N LYS A 6 12.913 -9.060 -31.343 1.00 0.00 N ATOM 87 CA LYS A 6 11.428 -9.180 -31.402 1.00 0.00 C ATOM 88 C LYS A 6 10.811 -8.686 -30.092 1.00 0.00 C ATOM 89 O LYS A 6 9.658 -8.944 -29.804 1.00 0.00 O ATOM 90 CB LYS A 6 11.045 -10.646 -31.622 1.00 0.00 C ATOM 91 CG LYS A 6 12.050 -11.300 -32.572 1.00 0.00 C ATOM 92 CD LYS A 6 11.301 -11.954 -33.735 1.00 0.00 C ATOM 93 CE LYS A 6 12.226 -12.944 -34.445 1.00 0.00 C ATOM 94 NZ LYS A 6 12.325 -14.196 -33.642 1.00 0.00 N ATOM 0 H LYS A 6 13.406 -9.906 -31.058 1.00 0.00 H new ATOM 0 HA LYS A 6 11.053 -8.573 -32.226 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.031 -11.176 -30.670 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.040 -10.712 -32.038 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.749 -10.554 -32.949 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.638 -12.047 -32.039 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.414 -12.469 -33.366 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.959 -11.192 -34.436 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.842 -13.167 -35.440 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.215 -12.504 -34.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.719 -14.957 -34.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.947 -14.035 -32.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.379 -14.471 -33.309 1.00 0.00 H new ATOM 108 N VAL A 7 11.561 -7.973 -29.294 1.00 0.00 N ATOM 109 CA VAL A 7 11.000 -7.466 -28.009 1.00 0.00 C ATOM 110 C VAL A 7 11.690 -6.156 -27.626 1.00 0.00 C ATOM 111 O VAL A 7 11.073 -5.112 -27.583 1.00 0.00 O ATOM 112 CB VAL A 7 11.226 -8.502 -26.907 1.00 0.00 C ATOM 113 CG1 VAL A 7 10.408 -8.121 -25.673 1.00 0.00 C ATOM 114 CG2 VAL A 7 10.782 -9.881 -27.405 1.00 0.00 C ATOM 0 H VAL A 7 12.533 -7.721 -29.475 1.00 0.00 H new ATOM 0 HA VAL A 7 9.931 -7.290 -28.129 1.00 0.00 H new ATOM 0 HB VAL A 7 12.284 -8.531 -26.648 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.569 -8.859 -24.888 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.721 -7.139 -25.318 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.350 -8.092 -25.933 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.943 -10.620 -26.620 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.724 -9.851 -27.664 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.363 -10.154 -28.286 1.00 0.00 H new ATOM 124 N THR A 8 12.965 -6.200 -27.347 1.00 0.00 N ATOM 125 CA THR A 8 13.684 -4.951 -26.966 1.00 0.00 C ATOM 126 C THR A 8 13.381 -3.857 -27.992 1.00 0.00 C ATOM 127 O THR A 8 13.483 -2.681 -27.706 1.00 0.00 O ATOM 128 CB THR A 8 15.191 -5.214 -26.929 1.00 0.00 C ATOM 129 OG1 THR A 8 15.642 -5.563 -28.231 1.00 0.00 O ATOM 130 CG2 THR A 8 15.489 -6.357 -25.958 1.00 0.00 C ATOM 0 H THR A 8 13.538 -7.044 -27.366 1.00 0.00 H new ATOM 0 HA THR A 8 13.351 -4.629 -25.979 1.00 0.00 H new ATOM 0 HB THR A 8 15.709 -4.315 -26.595 1.00 0.00 H new ATOM 0 HG1 THR A 8 16.607 -5.730 -28.209 1.00 0.00 H new ATOM 0 HG21 THR A 8 16.563 -6.543 -25.933 1.00 0.00 H new ATOM 0 HG22 THR A 8 15.144 -6.086 -24.960 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.972 -7.258 -26.288 1.00 0.00 H new ATOM 138 N GLY A 9 13.003 -4.234 -29.183 1.00 0.00 N ATOM 139 CA GLY A 9 12.687 -3.213 -30.222 1.00 0.00 C ATOM 140 C GLY A 9 11.205 -2.844 -30.136 1.00 0.00 C ATOM 141 O GLY A 9 10.570 -2.547 -31.128 1.00 0.00 O ATOM 0 H GLY A 9 12.899 -5.204 -29.481 1.00 0.00 H new ATOM 0 HA2 GLY A 9 13.303 -2.326 -30.075 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.919 -3.602 -31.213 1.00 0.00 H new ATOM 145 N LYS A 10 10.651 -2.861 -28.954 1.00 0.00 N ATOM 146 CA LYS A 10 9.211 -2.513 -28.793 1.00 0.00 C ATOM 147 C LYS A 10 8.764 -2.869 -27.375 1.00 0.00 C ATOM 148 O LYS A 10 8.009 -3.797 -27.164 1.00 0.00 O ATOM 149 CB LYS A 10 8.376 -3.301 -29.806 1.00 0.00 C ATOM 150 CG LYS A 10 6.893 -3.199 -29.439 1.00 0.00 C ATOM 151 CD LYS A 10 6.065 -2.992 -30.709 1.00 0.00 C ATOM 152 CE LYS A 10 4.772 -3.802 -30.613 1.00 0.00 C ATOM 153 NZ LYS A 10 5.095 -5.214 -30.263 1.00 0.00 N ATOM 0 H LYS A 10 11.136 -3.102 -28.090 1.00 0.00 H new ATOM 0 HA LYS A 10 9.071 -1.446 -28.965 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.540 -2.910 -30.810 1.00 0.00 H new ATOM 0 HB3 LYS A 10 8.688 -4.345 -29.815 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.571 -4.106 -28.926 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.734 -2.370 -28.750 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.835 -1.934 -30.838 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.637 -3.303 -31.583 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.115 -3.370 -29.858 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.236 -3.765 -31.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.438 -5.853 -30.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.070 -5.430 -30.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.003 -5.347 -29.236 1.00 0.00 H new ATOM 167 N LEU A 11 9.230 -2.138 -26.401 1.00 0.00 N ATOM 168 CA LEU A 11 8.836 -2.433 -24.995 1.00 0.00 C ATOM 169 C LEU A 11 7.641 -1.560 -24.608 1.00 0.00 C ATOM 170 O LEU A 11 7.772 -0.606 -23.868 1.00 0.00 O ATOM 171 CB LEU A 11 10.012 -2.130 -24.066 1.00 0.00 C ATOM 172 CG LEU A 11 10.885 -3.378 -23.930 1.00 0.00 C ATOM 173 CD1 LEU A 11 10.114 -4.457 -23.172 1.00 0.00 C ATOM 174 CD2 LEU A 11 11.246 -3.901 -25.320 1.00 0.00 C ATOM 0 H LEU A 11 9.866 -1.349 -26.518 1.00 0.00 H new ATOM 0 HA LEU A 11 8.562 -3.484 -24.905 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.600 -1.303 -24.463 1.00 0.00 H new ATOM 0 HB3 LEU A 11 9.646 -1.820 -23.087 1.00 0.00 H new ATOM 0 HG LEU A 11 11.795 -3.126 -23.386 1.00 0.00 H new ATOM 0 HD11 LEU A 11 10.735 -5.347 -23.074 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.851 -4.088 -22.181 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.205 -4.707 -23.719 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.868 -4.791 -25.224 1.00 0.00 H new ATOM 0 HD22 LEU A 11 10.334 -4.153 -25.862 1.00 0.00 H new ATOM 0 HD23 LEU A 11 11.793 -3.133 -25.867 1.00 0.00 H new ATOM 186 N ASP A 12 6.476 -1.874 -25.106 1.00 0.00 N ATOM 187 CA ASP A 12 5.275 -1.059 -24.769 1.00 0.00 C ATOM 188 C ASP A 12 5.474 0.372 -25.275 1.00 0.00 C ATOM 189 O ASP A 12 5.158 0.690 -26.405 1.00 0.00 O ATOM 190 CB ASP A 12 5.076 -1.045 -23.251 1.00 0.00 C ATOM 191 CG ASP A 12 3.940 -0.087 -22.894 1.00 0.00 C ATOM 192 OD1 ASP A 12 4.195 1.104 -22.824 1.00 0.00 O ATOM 193 OD2 ASP A 12 2.832 -0.560 -22.695 1.00 0.00 O ATOM 0 H ASP A 12 6.304 -2.661 -25.732 1.00 0.00 H new ATOM 0 HA ASP A 12 4.395 -1.492 -25.244 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.845 -2.049 -22.895 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.996 -0.735 -22.756 1.00 0.00 H new ATOM 198 N LYS A 13 5.998 1.238 -24.451 1.00 0.00 N ATOM 199 CA LYS A 13 6.218 2.646 -24.889 1.00 0.00 C ATOM 200 C LYS A 13 4.875 3.295 -25.226 1.00 0.00 C ATOM 201 O LYS A 13 4.121 2.801 -26.040 1.00 0.00 O ATOM 202 CB LYS A 13 7.114 2.658 -26.130 1.00 0.00 C ATOM 203 CG LYS A 13 8.451 3.319 -25.788 1.00 0.00 C ATOM 204 CD LYS A 13 9.526 2.827 -26.759 1.00 0.00 C ATOM 205 CE LYS A 13 10.145 1.534 -26.223 1.00 0.00 C ATOM 206 NZ LYS A 13 11.332 1.861 -25.385 1.00 0.00 N ATOM 0 H LYS A 13 6.283 1.032 -23.494 1.00 0.00 H new ATOM 0 HA LYS A 13 6.698 3.204 -24.085 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.279 1.640 -26.482 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.625 3.200 -26.940 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.359 4.403 -25.849 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.735 3.081 -24.763 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.090 2.653 -27.743 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.297 3.588 -26.881 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.411 0.984 -25.634 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.438 0.888 -27.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.753 0.982 -25.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.034 2.368 -25.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.039 2.461 -24.588 1.00 0.00 H new ATOM 220 N THR A 14 4.571 4.401 -24.602 1.00 0.00 N ATOM 221 CA THR A 14 3.281 5.086 -24.882 1.00 0.00 C ATOM 222 C THR A 14 2.141 4.072 -24.831 1.00 0.00 C ATOM 223 O THR A 14 1.397 3.906 -25.777 1.00 0.00 O ATOM 224 CB THR A 14 3.337 5.735 -26.265 1.00 0.00 C ATOM 225 OG1 THR A 14 3.807 4.789 -27.214 1.00 0.00 O ATOM 226 CG2 THR A 14 4.286 6.931 -26.218 1.00 0.00 C ATOM 0 H THR A 14 5.163 4.859 -23.909 1.00 0.00 H new ATOM 0 HA THR A 14 3.108 5.856 -24.131 1.00 0.00 H new ATOM 0 HB THR A 14 2.341 6.070 -26.556 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.477 3.897 -26.978 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.331 7.399 -27.201 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.923 7.655 -25.488 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.282 6.594 -25.931 1.00 0.00 H new ATOM 234 N THR A 15 1.998 3.394 -23.727 1.00 0.00 N ATOM 235 CA THR A 15 0.907 2.390 -23.605 1.00 0.00 C ATOM 236 C THR A 15 0.762 1.971 -22.138 1.00 0.00 C ATOM 237 O THR A 15 1.547 1.188 -21.642 1.00 0.00 O ATOM 238 CB THR A 15 1.249 1.162 -24.453 1.00 0.00 C ATOM 239 OG1 THR A 15 1.166 1.502 -25.831 1.00 0.00 O ATOM 240 CG2 THR A 15 0.264 0.034 -24.143 1.00 0.00 C ATOM 0 H THR A 15 2.591 3.493 -22.903 1.00 0.00 H new ATOM 0 HA THR A 15 -0.029 2.825 -23.954 1.00 0.00 H new ATOM 0 HB THR A 15 2.261 0.830 -24.221 1.00 0.00 H new ATOM 0 HG1 THR A 15 0.881 2.435 -25.921 1.00 0.00 H new ATOM 0 HG21 THR A 15 0.509 -0.839 -24.748 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.329 -0.226 -23.087 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.749 0.362 -24.374 1.00 0.00 H new ATOM 248 N PRO A 16 -0.240 2.505 -21.485 1.00 0.00 N ATOM 249 CA PRO A 16 -0.512 2.201 -20.069 1.00 0.00 C ATOM 250 C PRO A 16 -1.174 0.826 -19.939 1.00 0.00 C ATOM 251 O PRO A 16 -2.362 0.675 -20.145 1.00 0.00 O ATOM 252 CB PRO A 16 -1.468 3.317 -19.638 1.00 0.00 C ATOM 253 CG PRO A 16 -2.125 3.852 -20.931 1.00 0.00 C ATOM 254 CD PRO A 16 -1.194 3.456 -22.093 1.00 0.00 C ATOM 0 HA PRO A 16 0.388 2.163 -19.455 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.221 2.938 -18.948 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.930 4.110 -19.119 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.118 3.424 -21.067 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.248 4.934 -20.884 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.750 2.995 -22.909 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.682 4.325 -22.507 1.00 0.00 H new ATOM 262 N GLY A 17 -0.411 -0.177 -19.599 1.00 0.00 N ATOM 263 CA GLY A 17 -0.990 -1.541 -19.456 1.00 0.00 C ATOM 264 C GLY A 17 0.119 -2.516 -19.065 1.00 0.00 C ATOM 265 O GLY A 17 0.973 -2.204 -18.259 1.00 0.00 O ATOM 0 H GLY A 17 0.590 -0.109 -19.414 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.774 -1.539 -18.698 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.452 -1.853 -20.392 1.00 0.00 H new ATOM 269 N ILE A 18 0.122 -3.694 -19.627 1.00 0.00 N ATOM 270 CA ILE A 18 1.187 -4.673 -19.278 1.00 0.00 C ATOM 271 C ILE A 18 1.341 -5.704 -20.398 1.00 0.00 C ATOM 272 O ILE A 18 0.378 -6.145 -20.993 1.00 0.00 O ATOM 273 CB ILE A 18 0.822 -5.401 -17.981 1.00 0.00 C ATOM 274 CG1 ILE A 18 -0.289 -6.416 -18.261 1.00 0.00 C ATOM 275 CG2 ILE A 18 0.335 -4.394 -16.938 1.00 0.00 C ATOM 276 CD1 ILE A 18 -0.651 -7.142 -16.969 1.00 0.00 C ATOM 0 H ILE A 18 -0.564 -4.018 -20.309 1.00 0.00 H new ATOM 0 HA ILE A 18 2.125 -4.133 -19.147 1.00 0.00 H new ATOM 0 HB ILE A 18 1.704 -5.916 -17.600 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.166 -5.910 -18.664 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.039 -7.133 -19.014 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.077 -4.919 -16.018 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.125 -3.671 -16.734 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.544 -3.874 -17.317 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.442 -7.865 -17.167 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.227 -7.661 -16.585 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.997 -6.419 -16.230 1.00 0.00 H new ATOM 288 N GLN A 19 2.548 -6.106 -20.666 1.00 0.00 N ATOM 289 CA GLN A 19 2.787 -7.130 -21.721 1.00 0.00 C ATOM 290 C GLN A 19 3.514 -8.307 -21.075 1.00 0.00 C ATOM 291 O GLN A 19 4.633 -8.176 -20.626 1.00 0.00 O ATOM 292 CB GLN A 19 3.656 -6.532 -22.829 1.00 0.00 C ATOM 293 CG GLN A 19 3.772 -7.527 -23.984 1.00 0.00 C ATOM 294 CD GLN A 19 5.185 -7.473 -24.570 1.00 0.00 C ATOM 295 OE1 GLN A 19 5.911 -6.400 -24.400 1.00 0.00 O flip ATOM 296 NE2 GLN A 19 5.633 -8.416 -25.190 1.00 0.00 N flip ATOM 0 H GLN A 19 3.388 -5.768 -20.197 1.00 0.00 H new ATOM 0 HA GLN A 19 1.843 -7.458 -22.156 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.220 -5.598 -23.183 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.646 -6.294 -22.440 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.552 -8.535 -23.632 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.039 -7.291 -24.755 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.067 -9.254 -25.323 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.575 -8.370 -25.578 1.00 0.00 H new ATOM 305 N ILE A 20 2.898 -9.455 -21.007 1.00 0.00 N ATOM 306 CA ILE A 20 3.586 -10.606 -20.358 1.00 0.00 C ATOM 307 C ILE A 20 4.333 -11.412 -21.406 1.00 0.00 C ATOM 308 O ILE A 20 4.084 -11.294 -22.585 1.00 0.00 O ATOM 309 CB ILE A 20 2.569 -11.519 -19.656 1.00 0.00 C ATOM 310 CG1 ILE A 20 1.453 -10.668 -19.048 1.00 0.00 C ATOM 311 CG2 ILE A 20 3.265 -12.312 -18.542 1.00 0.00 C ATOM 312 CD1 ILE A 20 0.238 -11.549 -18.776 1.00 0.00 C ATOM 0 H ILE A 20 1.963 -9.645 -21.367 1.00 0.00 H new ATOM 0 HA ILE A 20 4.285 -10.216 -19.618 1.00 0.00 H new ATOM 0 HB ILE A 20 2.147 -12.212 -20.384 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.796 -10.206 -18.122 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.185 -9.859 -19.728 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.540 -12.958 -18.047 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.060 -12.922 -18.971 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.691 -11.621 -17.815 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.559 -10.945 -18.343 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.108 -11.990 -19.711 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.512 -12.342 -18.080 1.00 0.00 H new ATOM 324 N TRP A 21 5.232 -12.247 -20.977 1.00 0.00 N ATOM 325 CA TRP A 21 5.980 -13.090 -21.937 1.00 0.00 C ATOM 326 C TRP A 21 5.733 -14.541 -21.542 1.00 0.00 C ATOM 327 O TRP A 21 5.889 -14.917 -20.397 1.00 0.00 O ATOM 328 CB TRP A 21 7.468 -12.759 -21.882 1.00 0.00 C ATOM 329 CG TRP A 21 7.742 -11.590 -22.778 1.00 0.00 C ATOM 330 CD1 TRP A 21 8.055 -11.668 -24.094 1.00 0.00 C ATOM 331 CD2 TRP A 21 7.727 -10.173 -22.446 1.00 0.00 C ATOM 332 NE1 TRP A 21 8.230 -10.384 -24.587 1.00 0.00 N ATOM 333 CE2 TRP A 21 8.039 -9.428 -23.607 1.00 0.00 C ATOM 334 CE3 TRP A 21 7.474 -9.470 -21.259 1.00 0.00 C ATOM 335 CZ2 TRP A 21 8.096 -8.031 -23.585 1.00 0.00 C ATOM 336 CZ3 TRP A 21 7.530 -8.071 -21.232 1.00 0.00 C ATOM 337 CH2 TRP A 21 7.840 -7.351 -22.392 1.00 0.00 C ATOM 0 H TRP A 21 5.481 -12.381 -19.997 1.00 0.00 H new ATOM 0 HA TRP A 21 5.646 -12.911 -22.959 1.00 0.00 H new ATOM 0 HB2 TRP A 21 7.764 -12.527 -20.859 1.00 0.00 H new ATOM 0 HB3 TRP A 21 8.057 -13.620 -22.197 1.00 0.00 H new ATOM 0 HD1 TRP A 21 8.152 -12.580 -24.665 1.00 0.00 H new ATOM 0 HE1 TRP A 21 8.470 -10.171 -25.555 1.00 0.00 H new ATOM 0 HE3 TRP A 21 7.234 -10.013 -20.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 8.336 -7.482 -24.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 7.333 -7.544 -20.310 1.00 0.00 H new ATOM 0 HH2 TRP A 21 7.881 -6.272 -22.365 1.00 0.00 H new ATOM 348 N ARG A 22 5.289 -15.344 -22.463 1.00 0.00 N ATOM 349 CA ARG A 22 4.960 -16.749 -22.121 1.00 0.00 C ATOM 350 C ARG A 22 6.209 -17.617 -22.039 1.00 0.00 C ATOM 351 O ARG A 22 7.059 -17.612 -22.908 1.00 0.00 O ATOM 352 CB ARG A 22 4.015 -17.313 -23.184 1.00 0.00 C ATOM 353 CG ARG A 22 2.600 -17.422 -22.612 1.00 0.00 C ATOM 354 CD ARG A 22 1.578 -17.235 -23.736 1.00 0.00 C ATOM 355 NE ARG A 22 0.260 -17.781 -23.306 1.00 0.00 N ATOM 356 CZ ARG A 22 0.081 -19.072 -23.224 1.00 0.00 C ATOM 357 NH1 ARG A 22 0.671 -19.870 -24.073 1.00 0.00 N ATOM 358 NH2 ARG A 22 -0.689 -19.566 -22.294 1.00 0.00 N ATOM 0 H ARG A 22 5.140 -15.087 -23.439 1.00 0.00 H new ATOM 0 HA ARG A 22 4.483 -16.759 -21.141 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.014 -16.667 -24.062 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.362 -18.294 -23.510 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.462 -18.394 -22.139 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.449 -16.667 -21.840 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.482 -16.178 -23.983 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.917 -17.743 -24.639 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.504 -17.145 -23.075 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.273 -19.485 -24.801 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.530 -20.878 -24.008 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.151 -18.944 -21.631 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.829 -20.574 -22.230 1.00 0.00 H new ATOM 372 N ILE A 23 6.293 -18.380 -20.989 1.00 0.00 N ATOM 373 CA ILE A 23 7.442 -19.296 -20.791 1.00 0.00 C ATOM 374 C ILE A 23 6.883 -20.698 -20.529 1.00 0.00 C ATOM 375 O ILE A 23 7.314 -21.390 -19.628 1.00 0.00 O ATOM 376 CB ILE A 23 8.232 -18.853 -19.564 1.00 0.00 C ATOM 377 CG1 ILE A 23 8.457 -17.329 -19.608 1.00 0.00 C ATOM 378 CG2 ILE A 23 9.566 -19.602 -19.516 1.00 0.00 C ATOM 379 CD1 ILE A 23 9.754 -16.989 -20.349 1.00 0.00 C ATOM 0 H ILE A 23 5.597 -18.406 -20.244 1.00 0.00 H new ATOM 0 HA ILE A 23 8.090 -19.289 -21.668 1.00 0.00 H new ATOM 0 HB ILE A 23 7.669 -19.089 -18.661 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.614 -16.847 -20.103 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.499 -16.934 -18.593 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.130 -19.285 -18.639 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.379 -20.674 -19.459 1.00 0.00 H new ATOM 0 HG23 ILE A 23 10.140 -19.381 -20.416 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.890 -15.908 -20.367 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.597 -17.453 -19.838 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.698 -17.364 -21.371 1.00 0.00 H new ATOM 391 N GLU A 24 5.905 -21.109 -21.290 1.00 0.00 N ATOM 392 CA GLU A 24 5.296 -22.452 -21.060 1.00 0.00 C ATOM 393 C GLU A 24 5.863 -23.461 -22.055 1.00 0.00 C ATOM 394 O GLU A 24 6.148 -24.591 -21.711 1.00 0.00 O ATOM 395 CB GLU A 24 3.769 -22.361 -21.202 1.00 0.00 C ATOM 396 CG GLU A 24 3.357 -22.402 -22.679 1.00 0.00 C ATOM 397 CD GLU A 24 3.726 -21.079 -23.346 1.00 0.00 C ATOM 398 OE1 GLU A 24 3.631 -20.061 -22.683 1.00 0.00 O ATOM 399 OE2 GLU A 24 4.096 -21.106 -24.509 1.00 0.00 O ATOM 0 H GLU A 24 5.502 -20.575 -22.060 1.00 0.00 H new ATOM 0 HA GLU A 24 5.537 -22.787 -20.051 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.299 -23.186 -20.666 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.411 -21.438 -20.745 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.857 -23.228 -23.184 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.285 -22.578 -22.764 1.00 0.00 H new ATOM 406 N ASN A 25 6.046 -23.064 -23.283 1.00 0.00 N ATOM 407 CA ASN A 25 6.613 -24.009 -24.281 1.00 0.00 C ATOM 408 C ASN A 25 8.135 -24.027 -24.129 1.00 0.00 C ATOM 409 O ASN A 25 8.845 -24.578 -24.948 1.00 0.00 O ATOM 410 CB ASN A 25 6.227 -23.563 -25.697 1.00 0.00 C ATOM 411 CG ASN A 25 7.116 -22.399 -26.142 1.00 0.00 C ATOM 412 OD1 ASN A 25 8.047 -22.586 -26.899 1.00 0.00 O ATOM 413 ND2 ASN A 25 6.863 -21.197 -25.704 1.00 0.00 N ATOM 0 H ASN A 25 5.829 -22.132 -23.636 1.00 0.00 H new ATOM 0 HA ASN A 25 6.217 -25.011 -24.114 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.332 -24.397 -26.391 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.180 -23.260 -25.719 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.447 -20.414 -25.997 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.081 -21.040 -25.068 1.00 0.00 H new ATOM 420 N MET A 26 8.643 -23.423 -23.086 1.00 0.00 N ATOM 421 CA MET A 26 10.113 -23.401 -22.879 1.00 0.00 C ATOM 422 C MET A 26 10.733 -22.437 -23.889 1.00 0.00 C ATOM 423 O MET A 26 11.868 -22.587 -24.298 1.00 0.00 O ATOM 424 CB MET A 26 10.672 -24.813 -23.072 1.00 0.00 C ATOM 425 CG MET A 26 9.749 -25.825 -22.379 1.00 0.00 C ATOM 426 SD MET A 26 9.418 -25.284 -20.683 1.00 0.00 S ATOM 427 CE MET A 26 11.088 -25.535 -20.035 1.00 0.00 C ATOM 0 H MET A 26 8.098 -22.944 -22.369 1.00 0.00 H new ATOM 0 HA MET A 26 10.352 -23.067 -21.869 1.00 0.00 H new ATOM 0 HB2 MET A 26 10.750 -25.043 -24.135 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.678 -24.878 -22.657 1.00 0.00 H new ATOM 0 HG2 MET A 26 8.814 -25.917 -22.931 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.213 -26.811 -22.373 1.00 0.00 H new ATOM 0 HE1 MET A 26 11.178 -25.050 -19.063 1.00 0.00 H new ATOM 0 HE2 MET A 26 11.280 -26.603 -19.927 1.00 0.00 H new ATOM 0 HE3 MET A 26 11.814 -25.104 -20.724 1.00 0.00 H new ATOM 437 N GLU A 27 9.988 -21.441 -24.286 1.00 0.00 N ATOM 438 CA GLU A 27 10.515 -20.449 -25.264 1.00 0.00 C ATOM 439 C GLU A 27 9.835 -19.103 -25.013 1.00 0.00 C ATOM 440 O GLU A 27 8.693 -18.898 -25.370 1.00 0.00 O ATOM 441 CB GLU A 27 10.214 -20.918 -26.689 1.00 0.00 C ATOM 442 CG GLU A 27 10.610 -22.388 -26.839 1.00 0.00 C ATOM 443 CD GLU A 27 10.413 -22.826 -28.291 1.00 0.00 C ATOM 444 OE1 GLU A 27 10.136 -21.970 -29.114 1.00 0.00 O ATOM 445 OE2 GLU A 27 10.541 -24.010 -28.556 1.00 0.00 O ATOM 0 H GLU A 27 9.032 -21.272 -23.973 1.00 0.00 H new ATOM 0 HA GLU A 27 11.594 -20.349 -25.144 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.154 -20.792 -26.908 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.762 -20.308 -27.407 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.650 -22.527 -26.544 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.006 -23.007 -26.176 1.00 0.00 H new ATOM 452 N MET A 28 10.523 -18.190 -24.386 1.00 0.00 N ATOM 453 CA MET A 28 9.910 -16.864 -24.096 1.00 0.00 C ATOM 454 C MET A 28 9.119 -16.372 -25.309 1.00 0.00 C ATOM 455 O MET A 28 9.545 -16.491 -26.440 1.00 0.00 O ATOM 456 CB MET A 28 11.008 -15.854 -23.757 1.00 0.00 C ATOM 457 CG MET A 28 10.374 -14.584 -23.188 1.00 0.00 C ATOM 458 SD MET A 28 11.152 -14.173 -21.607 1.00 0.00 S ATOM 459 CE MET A 28 10.539 -12.475 -21.484 1.00 0.00 C ATOM 0 H MET A 28 11.483 -18.305 -24.062 1.00 0.00 H new ATOM 0 HA MET A 28 9.233 -16.965 -23.248 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.701 -16.283 -23.033 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.586 -15.616 -24.650 1.00 0.00 H new ATOM 0 HG2 MET A 28 10.495 -13.759 -23.890 1.00 0.00 H new ATOM 0 HG3 MET A 28 9.303 -14.730 -23.050 1.00 0.00 H new ATOM 0 HE1 MET A 28 11.150 -11.918 -20.774 1.00 0.00 H new ATOM 0 HE2 MET A 28 10.593 -11.997 -22.462 1.00 0.00 H new ATOM 0 HE3 MET A 28 9.504 -12.486 -21.142 1.00 0.00 H new ATOM 469 N VAL A 29 7.964 -15.820 -25.067 1.00 0.00 N ATOM 470 CA VAL A 29 7.112 -15.309 -26.176 1.00 0.00 C ATOM 471 C VAL A 29 6.492 -13.984 -25.720 1.00 0.00 C ATOM 472 O VAL A 29 6.269 -13.795 -24.552 1.00 0.00 O ATOM 473 CB VAL A 29 6.033 -16.366 -26.478 1.00 0.00 C ATOM 474 CG1 VAL A 29 4.663 -15.723 -26.741 1.00 0.00 C ATOM 475 CG2 VAL A 29 6.456 -17.166 -27.710 1.00 0.00 C ATOM 0 H VAL A 29 7.569 -15.699 -24.135 1.00 0.00 H new ATOM 0 HA VAL A 29 7.685 -15.132 -27.086 1.00 0.00 H new ATOM 0 HB VAL A 29 5.938 -17.014 -25.607 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.930 -16.502 -26.950 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.352 -15.158 -25.863 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.734 -15.052 -27.597 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.699 -17.918 -27.933 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.562 -16.494 -28.562 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.409 -17.658 -27.515 1.00 0.00 H new ATOM 485 N PRO A 30 6.249 -13.102 -26.650 1.00 0.00 N ATOM 486 CA PRO A 30 5.666 -11.780 -26.348 1.00 0.00 C ATOM 487 C PRO A 30 4.147 -11.865 -26.125 1.00 0.00 C ATOM 488 O PRO A 30 3.367 -11.594 -27.015 1.00 0.00 O ATOM 489 CB PRO A 30 5.985 -10.959 -27.600 1.00 0.00 C ATOM 490 CG PRO A 30 6.211 -11.977 -28.745 1.00 0.00 C ATOM 491 CD PRO A 30 6.541 -13.327 -28.080 1.00 0.00 C ATOM 0 HA PRO A 30 6.068 -11.347 -25.432 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.165 -10.281 -27.839 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.872 -10.345 -27.446 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.321 -12.061 -29.369 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.026 -11.656 -29.393 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.932 -14.133 -28.490 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.584 -13.604 -28.236 1.00 0.00 H new ATOM 499 N VAL A 31 3.724 -12.225 -24.939 1.00 0.00 N ATOM 500 CA VAL A 31 2.257 -12.313 -24.651 1.00 0.00 C ATOM 501 C VAL A 31 1.645 -10.905 -24.622 1.00 0.00 C ATOM 502 O VAL A 31 1.941 -10.124 -23.731 1.00 0.00 O ATOM 503 CB VAL A 31 2.035 -12.952 -23.279 1.00 0.00 C ATOM 504 CG1 VAL A 31 0.601 -13.464 -23.177 1.00 0.00 C ATOM 505 CG2 VAL A 31 2.996 -14.118 -23.093 1.00 0.00 C ATOM 0 H VAL A 31 4.332 -12.463 -24.155 1.00 0.00 H new ATOM 0 HA VAL A 31 1.788 -12.914 -25.430 1.00 0.00 H new ATOM 0 HB VAL A 31 2.213 -12.205 -22.506 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.446 -13.919 -22.199 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.092 -12.633 -23.305 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.424 -14.207 -23.955 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.834 -14.570 -22.114 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.820 -14.862 -23.870 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.023 -13.758 -23.161 1.00 0.00 H new ATOM 515 N PRO A 32 0.798 -10.622 -25.583 1.00 0.00 N ATOM 516 CA PRO A 32 0.121 -9.318 -25.682 1.00 0.00 C ATOM 517 C PRO A 32 -1.048 -9.257 -24.694 1.00 0.00 C ATOM 518 O PRO A 32 -1.089 -9.984 -23.722 1.00 0.00 O ATOM 519 CB PRO A 32 -0.382 -9.282 -27.128 1.00 0.00 C ATOM 520 CG PRO A 32 -0.474 -10.754 -27.594 1.00 0.00 C ATOM 521 CD PRO A 32 0.433 -11.572 -26.656 1.00 0.00 C ATOM 0 HA PRO A 32 0.769 -8.475 -25.444 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.355 -8.794 -27.189 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.300 -8.715 -27.762 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.503 -11.111 -27.547 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -0.149 -10.853 -28.630 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.088 -12.442 -26.257 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.316 -11.941 -27.178 1.00 0.00 H new ATOM 529 N THR A 33 -2.000 -8.395 -24.932 1.00 0.00 N ATOM 530 CA THR A 33 -3.163 -8.294 -24.002 1.00 0.00 C ATOM 531 C THR A 33 -4.259 -9.253 -24.464 1.00 0.00 C ATOM 532 O THR A 33 -5.178 -9.560 -23.731 1.00 0.00 O ATOM 533 CB THR A 33 -3.716 -6.861 -24.002 1.00 0.00 C ATOM 534 OG1 THR A 33 -4.873 -6.800 -24.826 1.00 0.00 O ATOM 535 CG2 THR A 33 -2.665 -5.892 -24.539 1.00 0.00 C ATOM 0 H THR A 33 -2.023 -7.758 -25.728 1.00 0.00 H new ATOM 0 HA THR A 33 -2.838 -8.553 -22.994 1.00 0.00 H new ATOM 0 HB THR A 33 -3.973 -6.581 -22.981 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.227 -5.886 -24.825 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.068 -4.879 -24.535 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.777 -5.932 -23.908 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.399 -6.172 -25.558 1.00 0.00 H new ATOM 543 N LYS A 34 -4.178 -9.717 -25.679 1.00 0.00 N ATOM 544 CA LYS A 34 -5.226 -10.643 -26.188 1.00 0.00 C ATOM 545 C LYS A 34 -5.029 -12.036 -25.582 1.00 0.00 C ATOM 546 O LYS A 34 -5.935 -12.843 -25.554 1.00 0.00 O ATOM 547 CB LYS A 34 -5.135 -10.731 -27.714 1.00 0.00 C ATOM 548 CG LYS A 34 -3.904 -11.549 -28.109 1.00 0.00 C ATOM 549 CD LYS A 34 -4.344 -12.926 -28.609 1.00 0.00 C ATOM 550 CE LYS A 34 -5.231 -12.761 -29.845 1.00 0.00 C ATOM 551 NZ LYS A 34 -6.328 -13.769 -29.806 1.00 0.00 N ATOM 0 H LYS A 34 -3.433 -9.496 -26.340 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.207 -10.264 -25.903 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.036 -11.194 -28.116 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.072 -9.731 -28.143 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.344 -11.030 -28.887 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.237 -11.657 -27.254 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.471 -13.532 -28.853 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.889 -13.452 -27.825 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.648 -11.754 -29.875 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.638 -12.887 -30.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.932 -13.658 -30.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.920 -14.726 -29.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.899 -13.628 -28.948 1.00 0.00 H new ATOM 565 N SER A 35 -3.851 -12.327 -25.100 1.00 0.00 N ATOM 566 CA SER A 35 -3.604 -13.671 -24.504 1.00 0.00 C ATOM 567 C SER A 35 -3.117 -13.515 -23.061 1.00 0.00 C ATOM 568 O SER A 35 -2.627 -14.449 -22.458 1.00 0.00 O ATOM 569 CB SER A 35 -2.540 -14.403 -25.322 1.00 0.00 C ATOM 570 OG SER A 35 -2.902 -14.371 -26.697 1.00 0.00 O ATOM 0 H SER A 35 -3.051 -11.694 -25.093 1.00 0.00 H new ATOM 0 HA SER A 35 -4.531 -14.244 -24.512 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.567 -13.933 -25.179 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.449 -15.434 -24.982 1.00 0.00 H new ATOM 0 HG SER A 35 -2.221 -14.838 -27.225 1.00 0.00 H new ATOM 576 N TYR A 36 -3.242 -12.342 -22.502 1.00 0.00 N ATOM 577 CA TYR A 36 -2.781 -12.133 -21.100 1.00 0.00 C ATOM 578 C TYR A 36 -3.886 -12.548 -20.119 1.00 0.00 C ATOM 579 O TYR A 36 -4.236 -11.814 -19.218 1.00 0.00 O ATOM 580 CB TYR A 36 -2.417 -10.655 -20.895 1.00 0.00 C ATOM 581 CG TYR A 36 -3.665 -9.815 -20.704 1.00 0.00 C ATOM 582 CD1 TYR A 36 -4.888 -10.217 -21.261 1.00 0.00 C ATOM 583 CD2 TYR A 36 -3.592 -8.626 -19.968 1.00 0.00 C ATOM 584 CE1 TYR A 36 -6.032 -9.430 -21.080 1.00 0.00 C ATOM 585 CE2 TYR A 36 -4.738 -7.841 -19.787 1.00 0.00 C ATOM 586 CZ TYR A 36 -5.957 -8.243 -20.343 1.00 0.00 C ATOM 587 OH TYR A 36 -7.085 -7.469 -20.166 1.00 0.00 O ATOM 0 H TYR A 36 -3.643 -11.521 -22.955 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.900 -12.747 -20.913 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.768 -10.553 -20.025 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.856 -10.291 -21.756 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.947 -11.133 -21.829 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.651 -8.314 -19.539 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -6.973 -9.740 -21.510 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.680 -6.925 -19.218 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.860 -6.680 -19.630 1.00 0.00 H new ATOM 597 N GLY A 37 -4.438 -13.718 -20.288 1.00 0.00 N ATOM 598 CA GLY A 37 -5.517 -14.170 -19.364 1.00 0.00 C ATOM 599 C GLY A 37 -5.306 -15.641 -18.996 1.00 0.00 C ATOM 600 O GLY A 37 -4.757 -15.959 -17.961 1.00 0.00 O ATOM 0 H GLY A 37 -4.190 -14.379 -21.024 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.516 -13.557 -18.463 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.491 -14.040 -19.837 1.00 0.00 H new ATOM 604 N ASN A 38 -5.741 -16.540 -19.836 1.00 0.00 N ATOM 605 CA ASN A 38 -5.569 -17.990 -19.534 1.00 0.00 C ATOM 606 C ASN A 38 -4.151 -18.428 -19.911 1.00 0.00 C ATOM 607 O ASN A 38 -3.724 -18.267 -21.036 1.00 0.00 O ATOM 608 CB ASN A 38 -6.581 -18.801 -20.345 1.00 0.00 C ATOM 609 CG ASN A 38 -7.947 -18.114 -20.291 1.00 0.00 C ATOM 610 OD1 ASN A 38 -8.765 -18.429 -19.451 1.00 0.00 O ATOM 611 ND2 ASN A 38 -8.228 -17.180 -21.158 1.00 0.00 N ATOM 0 H ASN A 38 -6.208 -16.333 -20.719 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.731 -18.160 -18.470 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.247 -18.889 -21.379 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.655 -19.813 -19.946 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -9.135 -16.714 -21.130 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.541 -16.916 -21.864 1.00 0.00 H new ATOM 618 N PHE A 39 -3.416 -18.984 -18.983 1.00 0.00 N ATOM 619 CA PHE A 39 -2.031 -19.429 -19.309 1.00 0.00 C ATOM 620 C PHE A 39 -1.551 -20.458 -18.276 1.00 0.00 C ATOM 621 O PHE A 39 -1.830 -20.349 -17.101 1.00 0.00 O ATOM 622 CB PHE A 39 -1.096 -18.219 -19.315 1.00 0.00 C ATOM 623 CG PHE A 39 -1.460 -17.277 -18.190 1.00 0.00 C ATOM 624 CD1 PHE A 39 -1.209 -17.641 -16.861 1.00 0.00 C ATOM 625 CD2 PHE A 39 -2.041 -16.036 -18.477 1.00 0.00 C ATOM 626 CE1 PHE A 39 -1.540 -16.764 -15.821 1.00 0.00 C ATOM 627 CE2 PHE A 39 -2.371 -15.159 -17.437 1.00 0.00 C ATOM 628 CZ PHE A 39 -2.120 -15.524 -16.109 1.00 0.00 C ATOM 0 H PHE A 39 -3.713 -19.148 -18.021 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.026 -19.895 -20.295 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.063 -18.547 -19.205 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.166 -17.700 -20.271 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.760 -18.598 -16.639 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.235 -15.755 -19.502 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.347 -17.045 -14.796 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.819 -14.202 -17.659 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.374 -14.848 -15.306 1.00 0.00 H new ATOM 638 N TYR A 40 -0.842 -21.466 -18.717 1.00 0.00 N ATOM 639 CA TYR A 40 -0.356 -22.526 -17.777 1.00 0.00 C ATOM 640 C TYR A 40 0.102 -21.910 -16.456 1.00 0.00 C ATOM 641 O TYR A 40 0.690 -20.848 -16.422 1.00 0.00 O ATOM 642 CB TYR A 40 0.826 -23.279 -18.398 1.00 0.00 C ATOM 643 CG TYR A 40 0.429 -23.893 -19.727 1.00 0.00 C ATOM 644 CD1 TYR A 40 -0.885 -23.787 -20.196 1.00 0.00 C ATOM 645 CD2 TYR A 40 1.386 -24.571 -20.489 1.00 0.00 C ATOM 646 CE1 TYR A 40 -1.242 -24.358 -21.422 1.00 0.00 C ATOM 647 CE2 TYR A 40 1.030 -25.142 -21.716 1.00 0.00 C ATOM 648 CZ TYR A 40 -0.284 -25.036 -22.183 1.00 0.00 C ATOM 649 OH TYR A 40 -0.635 -25.601 -23.393 1.00 0.00 O ATOM 0 H TYR A 40 -0.577 -21.602 -19.692 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.182 -23.212 -17.591 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.664 -22.597 -18.542 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.165 -24.060 -17.717 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.625 -23.263 -19.610 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.401 -24.654 -20.130 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.257 -24.275 -21.781 1.00 0.00 H new ATOM 0 HE2 TYR A 40 1.771 -25.665 -22.303 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.362 -25.083 -23.797 1.00 0.00 H new ATOM 659 N GLU A 41 -0.152 -22.583 -15.366 1.00 0.00 N ATOM 660 CA GLU A 41 0.283 -22.053 -14.043 1.00 0.00 C ATOM 661 C GLU A 41 1.677 -22.578 -13.722 1.00 0.00 C ATOM 662 O GLU A 41 2.505 -21.876 -13.179 1.00 0.00 O ATOM 663 CB GLU A 41 -0.694 -22.508 -12.951 1.00 0.00 C ATOM 664 CG GLU A 41 -0.481 -23.994 -12.654 1.00 0.00 C ATOM 665 CD GLU A 41 -1.504 -24.459 -11.616 1.00 0.00 C ATOM 666 OE1 GLU A 41 -1.651 -23.781 -10.613 1.00 0.00 O ATOM 667 OE2 GLU A 41 -2.122 -25.486 -11.842 1.00 0.00 O ATOM 0 H GLU A 41 -0.642 -23.477 -15.335 1.00 0.00 H new ATOM 0 HA GLU A 41 0.298 -20.964 -14.081 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.541 -21.921 -12.045 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.721 -22.335 -13.273 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.585 -24.577 -13.569 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.530 -24.160 -12.283 1.00 0.00 H new ATOM 674 N GLY A 42 1.943 -23.810 -14.049 1.00 0.00 N ATOM 675 CA GLY A 42 3.285 -24.378 -13.758 1.00 0.00 C ATOM 676 C GLY A 42 4.258 -23.990 -14.872 1.00 0.00 C ATOM 677 O GLY A 42 4.673 -24.814 -15.661 1.00 0.00 O ATOM 0 H GLY A 42 1.290 -24.447 -14.505 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.648 -24.008 -12.799 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.222 -25.463 -13.678 1.00 0.00 H new ATOM 681 N ASP A 43 4.624 -22.741 -14.930 1.00 0.00 N ATOM 682 CA ASP A 43 5.573 -22.280 -15.987 1.00 0.00 C ATOM 683 C ASP A 43 6.199 -20.945 -15.554 1.00 0.00 C ATOM 684 O ASP A 43 6.640 -20.797 -14.433 1.00 0.00 O ATOM 685 CB ASP A 43 4.814 -22.098 -17.308 1.00 0.00 C ATOM 686 CG ASP A 43 4.185 -23.425 -17.735 1.00 0.00 C ATOM 687 OD1 ASP A 43 3.154 -23.773 -17.186 1.00 0.00 O ATOM 688 OD2 ASP A 43 4.747 -24.071 -18.604 1.00 0.00 O ATOM 0 H ASP A 43 4.307 -22.014 -14.289 1.00 0.00 H new ATOM 0 HA ASP A 43 6.361 -23.020 -16.127 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.040 -21.340 -17.191 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.494 -21.742 -18.082 1.00 0.00 H new ATOM 693 N CYS A 44 6.236 -19.969 -16.428 1.00 0.00 N ATOM 694 CA CYS A 44 6.822 -18.646 -16.062 1.00 0.00 C ATOM 695 C CYS A 44 6.234 -17.580 -16.986 1.00 0.00 C ATOM 696 O CYS A 44 5.894 -17.850 -18.121 1.00 0.00 O ATOM 697 CB CYS A 44 8.347 -18.688 -16.225 1.00 0.00 C ATOM 698 SG CYS A 44 9.083 -19.634 -14.870 1.00 0.00 S ATOM 0 H CYS A 44 5.883 -20.034 -17.383 1.00 0.00 H new ATOM 0 HA CYS A 44 6.587 -18.411 -15.024 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.607 -19.142 -17.181 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.749 -17.675 -16.234 1.00 0.00 H new ATOM 0 HG CYS A 44 8.156 -20.313 -14.262 1.00 0.00 H new ATOM 704 N TYR A 45 6.093 -16.378 -16.504 1.00 0.00 N ATOM 705 CA TYR A 45 5.504 -15.303 -17.346 1.00 0.00 C ATOM 706 C TYR A 45 6.132 -13.960 -16.975 1.00 0.00 C ATOM 707 O TYR A 45 5.894 -13.431 -15.907 1.00 0.00 O ATOM 708 CB TYR A 45 4.003 -15.238 -17.069 1.00 0.00 C ATOM 709 CG TYR A 45 3.347 -16.441 -17.675 1.00 0.00 C ATOM 710 CD1 TYR A 45 3.698 -16.829 -18.963 1.00 0.00 C ATOM 711 CD2 TYR A 45 2.401 -17.172 -16.952 1.00 0.00 C ATOM 712 CE1 TYR A 45 3.108 -17.952 -19.544 1.00 0.00 C ATOM 713 CE2 TYR A 45 1.808 -18.299 -17.527 1.00 0.00 C ATOM 714 CZ TYR A 45 2.163 -18.690 -18.826 1.00 0.00 C ATOM 715 OH TYR A 45 1.581 -19.805 -19.396 1.00 0.00 O ATOM 0 H TYR A 45 6.361 -16.094 -15.562 1.00 0.00 H new ATOM 0 HA TYR A 45 5.691 -15.514 -18.399 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.818 -15.208 -15.995 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.581 -14.326 -17.490 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.430 -16.259 -19.516 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.129 -16.867 -15.952 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.381 -18.250 -20.546 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.077 -18.868 -16.972 1.00 0.00 H new ATOM 0 HH TYR A 45 1.747 -19.803 -20.362 1.00 0.00 H new ATOM 725 N VAL A 46 6.915 -13.391 -17.845 1.00 0.00 N ATOM 726 CA VAL A 46 7.527 -12.070 -17.524 1.00 0.00 C ATOM 727 C VAL A 46 6.477 -10.987 -17.768 1.00 0.00 C ATOM 728 O VAL A 46 6.077 -10.754 -18.883 1.00 0.00 O ATOM 729 CB VAL A 46 8.737 -11.826 -18.428 1.00 0.00 C ATOM 730 CG1 VAL A 46 9.583 -10.690 -17.851 1.00 0.00 C ATOM 731 CG2 VAL A 46 9.580 -13.101 -18.504 1.00 0.00 C ATOM 0 H VAL A 46 7.158 -13.777 -18.757 1.00 0.00 H new ATOM 0 HA VAL A 46 7.857 -12.051 -16.485 1.00 0.00 H new ATOM 0 HB VAL A 46 8.396 -11.554 -19.427 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.445 -10.516 -18.494 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.983 -9.782 -17.794 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.925 -10.962 -16.852 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.443 -12.929 -19.148 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.921 -13.372 -17.505 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.977 -13.912 -18.914 1.00 0.00 H new ATOM 741 N LEU A 47 6.008 -10.337 -16.741 1.00 0.00 N ATOM 742 CA LEU A 47 4.961 -9.291 -16.947 1.00 0.00 C ATOM 743 C LEU A 47 5.581 -7.893 -16.860 1.00 0.00 C ATOM 744 O LEU A 47 6.047 -7.474 -15.823 1.00 0.00 O ATOM 745 CB LEU A 47 3.881 -9.447 -15.874 1.00 0.00 C ATOM 746 CG LEU A 47 2.858 -8.320 -16.012 1.00 0.00 C ATOM 747 CD1 LEU A 47 1.466 -8.843 -15.652 1.00 0.00 C ATOM 748 CD2 LEU A 47 3.238 -7.180 -15.065 1.00 0.00 C ATOM 0 H LEU A 47 6.299 -10.481 -15.774 1.00 0.00 H new ATOM 0 HA LEU A 47 4.520 -9.413 -17.936 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.389 -10.414 -15.977 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.333 -9.423 -14.882 1.00 0.00 H new ATOM 0 HG LEU A 47 2.849 -7.956 -17.040 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.738 -8.038 -15.751 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.199 -9.659 -16.324 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.468 -9.206 -14.624 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.512 -6.372 -15.158 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.243 -7.546 -14.038 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.230 -6.808 -15.323 1.00 0.00 H new ATOM 760 N LEU A 48 5.578 -7.165 -17.944 1.00 0.00 N ATOM 761 CA LEU A 48 6.160 -5.790 -17.930 1.00 0.00 C ATOM 762 C LEU A 48 5.029 -4.766 -17.806 1.00 0.00 C ATOM 763 O LEU A 48 4.256 -4.565 -18.720 1.00 0.00 O ATOM 764 CB LEU A 48 6.943 -5.551 -19.229 1.00 0.00 C ATOM 765 CG LEU A 48 7.175 -4.052 -19.435 1.00 0.00 C ATOM 766 CD1 LEU A 48 8.120 -3.526 -18.353 1.00 0.00 C ATOM 767 CD2 LEU A 48 7.801 -3.820 -20.812 1.00 0.00 C ATOM 0 H LEU A 48 5.197 -7.463 -18.842 1.00 0.00 H new ATOM 0 HA LEU A 48 6.837 -5.685 -17.082 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.899 -6.073 -19.188 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.392 -5.961 -20.075 1.00 0.00 H new ATOM 0 HG LEU A 48 6.223 -3.526 -19.372 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.284 -2.459 -18.501 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.677 -3.692 -17.371 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.073 -4.052 -18.415 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.967 -2.753 -20.961 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.753 -4.347 -20.872 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.129 -4.194 -21.585 1.00 0.00 H new ATOM 779 N SER A 49 4.931 -4.119 -16.680 1.00 0.00 N ATOM 780 CA SER A 49 3.854 -3.111 -16.490 1.00 0.00 C ATOM 781 C SER A 49 4.402 -1.718 -16.768 1.00 0.00 C ATOM 782 O SER A 49 5.473 -1.352 -16.323 1.00 0.00 O ATOM 783 CB SER A 49 3.341 -3.184 -15.052 1.00 0.00 C ATOM 784 OG SER A 49 2.025 -2.651 -14.994 1.00 0.00 O ATOM 0 H SER A 49 5.552 -4.245 -15.881 1.00 0.00 H new ATOM 0 HA SER A 49 3.036 -3.318 -17.179 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.342 -4.217 -14.705 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.002 -2.625 -14.389 1.00 0.00 H new ATOM 0 HG SER A 49 1.499 -3.148 -14.333 1.00 0.00 H new ATOM 790 N THR A 50 3.671 -0.943 -17.512 1.00 0.00 N ATOM 791 CA THR A 50 4.130 0.428 -17.845 1.00 0.00 C ATOM 792 C THR A 50 3.100 1.441 -17.330 1.00 0.00 C ATOM 793 O THR A 50 1.909 1.262 -17.482 1.00 0.00 O ATOM 794 CB THR A 50 4.271 0.520 -19.367 1.00 0.00 C ATOM 795 OG1 THR A 50 5.566 0.070 -19.742 1.00 0.00 O ATOM 796 CG2 THR A 50 4.079 1.964 -19.843 1.00 0.00 C ATOM 0 H THR A 50 2.767 -1.203 -17.907 1.00 0.00 H new ATOM 0 HA THR A 50 5.090 0.648 -17.377 1.00 0.00 H new ATOM 0 HB THR A 50 3.506 -0.104 -19.830 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.178 0.834 -19.787 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.183 2.007 -20.927 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.085 2.311 -19.560 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.832 2.603 -19.381 1.00 0.00 H new ATOM 804 N ARG A 51 3.553 2.503 -16.719 1.00 0.00 N ATOM 805 CA ARG A 51 2.603 3.523 -16.194 1.00 0.00 C ATOM 806 C ARG A 51 2.928 4.888 -16.801 1.00 0.00 C ATOM 807 O ARG A 51 4.043 5.147 -17.211 1.00 0.00 O ATOM 808 CB ARG A 51 2.732 3.599 -14.671 1.00 0.00 C ATOM 809 CG ARG A 51 1.458 4.202 -14.076 1.00 0.00 C ATOM 810 CD ARG A 51 0.434 3.093 -13.828 1.00 0.00 C ATOM 811 NE ARG A 51 0.683 2.478 -12.493 1.00 0.00 N ATOM 812 CZ ARG A 51 -0.248 2.507 -11.579 1.00 0.00 C ATOM 813 NH1 ARG A 51 -0.732 3.651 -11.176 1.00 0.00 N ATOM 814 NH2 ARG A 51 -0.694 1.393 -11.065 1.00 0.00 N ATOM 0 H ARG A 51 4.540 2.707 -16.561 1.00 0.00 H new ATOM 0 HA ARG A 51 1.584 3.242 -16.462 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.901 2.604 -14.260 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.595 4.207 -14.399 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.688 4.714 -13.142 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.045 4.948 -14.755 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.576 3.500 -13.870 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.506 2.336 -14.609 1.00 0.00 H new ATOM 0 HE ARG A 51 1.580 2.035 -12.294 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.382 4.522 -11.576 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.460 3.674 -10.462 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.315 0.499 -11.378 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.422 1.416 -10.351 1.00 0.00 H new ATOM 828 N LYS A 52 1.965 5.767 -16.864 1.00 0.00 N ATOM 829 CA LYS A 52 2.223 7.115 -17.444 1.00 0.00 C ATOM 830 C LYS A 52 2.641 8.077 -16.331 1.00 0.00 C ATOM 831 O LYS A 52 2.320 7.880 -15.175 1.00 0.00 O ATOM 832 CB LYS A 52 0.949 7.633 -18.114 1.00 0.00 C ATOM 833 CG LYS A 52 -0.137 7.839 -17.057 1.00 0.00 C ATOM 834 CD LYS A 52 -1.232 6.785 -17.237 1.00 0.00 C ATOM 835 CE LYS A 52 -2.583 7.378 -16.835 1.00 0.00 C ATOM 836 NZ LYS A 52 -3.558 6.276 -16.598 1.00 0.00 N ATOM 0 H LYS A 52 1.011 5.610 -16.539 1.00 0.00 H new ATOM 0 HA LYS A 52 3.021 7.046 -18.184 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.152 8.572 -18.629 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.608 6.923 -18.868 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.294 7.764 -16.059 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.562 8.839 -17.147 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.264 6.452 -18.274 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.012 5.909 -16.627 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.474 7.981 -15.934 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.950 8.040 -17.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.477 6.679 -16.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.670 5.718 -17.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.209 5.661 -15.835 1.00 0.00 H new ATOM 850 N THR A 53 3.355 9.116 -16.667 1.00 0.00 N ATOM 851 CA THR A 53 3.792 10.087 -15.626 1.00 0.00 C ATOM 852 C THR A 53 4.128 11.426 -16.287 1.00 0.00 C ATOM 853 O THR A 53 4.099 11.558 -17.494 1.00 0.00 O ATOM 854 CB THR A 53 5.034 9.547 -14.911 1.00 0.00 C ATOM 855 OG1 THR A 53 6.077 9.355 -15.857 1.00 0.00 O ATOM 856 CG2 THR A 53 4.698 8.213 -14.240 1.00 0.00 C ATOM 0 H THR A 53 3.654 9.334 -17.617 1.00 0.00 H new ATOM 0 HA THR A 53 2.989 10.228 -14.903 1.00 0.00 H new ATOM 0 HB THR A 53 5.358 10.261 -14.153 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.873 9.011 -15.401 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.582 7.829 -13.731 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.898 8.362 -13.515 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.374 7.497 -14.995 1.00 0.00 H new ATOM 864 N GLY A 54 4.446 12.421 -15.505 1.00 0.00 N ATOM 865 CA GLY A 54 4.784 13.750 -16.090 1.00 0.00 C ATOM 866 C GLY A 54 6.205 13.716 -16.652 1.00 0.00 C ATOM 867 O GLY A 54 6.566 14.504 -17.503 1.00 0.00 O ATOM 0 H GLY A 54 4.486 12.372 -14.487 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.076 14.002 -16.879 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.702 14.525 -15.328 1.00 0.00 H new ATOM 871 N SER A 55 7.017 12.808 -16.183 1.00 0.00 N ATOM 872 CA SER A 55 8.415 12.724 -16.692 1.00 0.00 C ATOM 873 C SER A 55 8.444 11.877 -17.967 1.00 0.00 C ATOM 874 O SER A 55 8.949 12.296 -18.989 1.00 0.00 O ATOM 875 CB SER A 55 9.306 12.077 -15.631 1.00 0.00 C ATOM 876 OG SER A 55 8.774 12.352 -14.341 1.00 0.00 O ATOM 0 H SER A 55 6.773 12.121 -15.470 1.00 0.00 H new ATOM 0 HA SER A 55 8.782 13.726 -16.913 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.361 11.000 -15.793 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.322 12.463 -15.708 1.00 0.00 H new ATOM 0 HG SER A 55 9.341 11.937 -13.658 1.00 0.00 H new ATOM 882 N GLY A 56 7.906 10.689 -17.914 1.00 0.00 N ATOM 883 CA GLY A 56 7.903 9.818 -19.122 1.00 0.00 C ATOM 884 C GLY A 56 7.070 8.565 -18.850 1.00 0.00 C ATOM 885 O GLY A 56 5.860 8.576 -18.962 1.00 0.00 O ATOM 0 H GLY A 56 7.469 10.285 -17.086 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.493 10.361 -19.973 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.924 9.539 -19.384 1.00 0.00 H new ATOM 889 N PHE A 57 7.707 7.484 -18.492 1.00 0.00 N ATOM 890 CA PHE A 57 6.951 6.230 -18.214 1.00 0.00 C ATOM 891 C PHE A 57 7.636 5.460 -17.084 1.00 0.00 C ATOM 892 O PHE A 57 8.816 5.612 -16.840 1.00 0.00 O ATOM 893 CB PHE A 57 6.922 5.361 -19.472 1.00 0.00 C ATOM 894 CG PHE A 57 5.756 5.764 -20.342 1.00 0.00 C ATOM 895 CD1 PHE A 57 4.480 5.245 -20.088 1.00 0.00 C ATOM 896 CD2 PHE A 57 5.950 6.655 -21.404 1.00 0.00 C ATOM 897 CE1 PHE A 57 3.399 5.616 -20.897 1.00 0.00 C ATOM 898 CE2 PHE A 57 4.869 7.027 -22.212 1.00 0.00 C ATOM 899 CZ PHE A 57 3.594 6.507 -21.959 1.00 0.00 C ATOM 0 H PHE A 57 8.718 7.415 -18.380 1.00 0.00 H new ATOM 0 HA PHE A 57 5.932 6.481 -17.920 1.00 0.00 H new ATOM 0 HB2 PHE A 57 7.855 5.472 -20.024 1.00 0.00 H new ATOM 0 HB3 PHE A 57 6.837 4.310 -19.197 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.330 4.558 -19.268 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.934 7.055 -21.600 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.415 5.215 -20.702 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.019 7.715 -23.031 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.761 6.793 -22.583 1.00 0.00 H new ATOM 909 N SER A 58 6.903 4.628 -16.396 1.00 0.00 N ATOM 910 CA SER A 58 7.507 3.839 -15.287 1.00 0.00 C ATOM 911 C SER A 58 7.309 2.350 -15.573 1.00 0.00 C ATOM 912 O SER A 58 6.250 1.800 -15.346 1.00 0.00 O ATOM 913 CB SER A 58 6.824 4.203 -13.968 1.00 0.00 C ATOM 914 OG SER A 58 7.407 5.391 -13.450 1.00 0.00 O ATOM 0 H SER A 58 5.909 4.461 -16.555 1.00 0.00 H new ATOM 0 HA SER A 58 8.571 4.062 -15.212 1.00 0.00 H new ATOM 0 HB2 SER A 58 5.755 4.348 -14.126 1.00 0.00 H new ATOM 0 HB3 SER A 58 6.933 3.389 -13.252 1.00 0.00 H new ATOM 0 HG SER A 58 6.970 5.628 -12.605 1.00 0.00 H new ATOM 920 N TYR A 59 8.317 1.696 -16.082 1.00 0.00 N ATOM 921 CA TYR A 59 8.179 0.247 -16.394 1.00 0.00 C ATOM 922 C TYR A 59 8.386 -0.588 -15.129 1.00 0.00 C ATOM 923 O TYR A 59 8.991 -0.151 -14.170 1.00 0.00 O ATOM 924 CB TYR A 59 9.218 -0.150 -17.445 1.00 0.00 C ATOM 925 CG TYR A 59 9.051 0.716 -18.671 1.00 0.00 C ATOM 926 CD1 TYR A 59 7.788 1.220 -19.005 1.00 0.00 C ATOM 927 CD2 TYR A 59 10.159 1.015 -19.473 1.00 0.00 C ATOM 928 CE1 TYR A 59 7.633 2.023 -20.141 1.00 0.00 C ATOM 929 CE2 TYR A 59 10.004 1.818 -20.609 1.00 0.00 C ATOM 930 CZ TYR A 59 8.741 2.322 -20.944 1.00 0.00 C ATOM 931 OH TYR A 59 8.589 3.114 -22.063 1.00 0.00 O ATOM 0 H TYR A 59 9.228 2.102 -16.295 1.00 0.00 H new ATOM 0 HA TYR A 59 7.177 0.061 -16.780 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.223 -0.035 -17.040 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.100 -1.201 -17.710 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.934 0.989 -18.386 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.133 0.626 -19.215 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.659 2.412 -20.398 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.859 2.049 -21.227 1.00 0.00 H new ATOM 0 HH TYR A 59 9.456 3.224 -22.506 1.00 0.00 H new ATOM 941 N ASN A 60 7.882 -1.789 -15.131 1.00 0.00 N ATOM 942 CA ASN A 60 8.029 -2.678 -13.946 1.00 0.00 C ATOM 943 C ASN A 60 8.047 -4.126 -14.425 1.00 0.00 C ATOM 944 O ASN A 60 7.020 -4.752 -14.552 1.00 0.00 O ATOM 945 CB ASN A 60 6.844 -2.462 -13.003 1.00 0.00 C ATOM 946 CG ASN A 60 7.236 -1.470 -11.906 1.00 0.00 C ATOM 947 OD1 ASN A 60 8.202 -1.676 -11.201 1.00 0.00 O ATOM 948 ND2 ASN A 60 6.518 -0.392 -11.732 1.00 0.00 N ATOM 0 H ASN A 60 7.369 -2.197 -15.912 1.00 0.00 H new ATOM 0 HA ASN A 60 8.954 -2.451 -13.416 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.987 -2.084 -13.560 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.542 -3.410 -12.559 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.770 0.276 -11.004 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.706 -0.219 -12.325 1.00 0.00 H new ATOM 955 N ILE A 61 9.201 -4.656 -14.714 1.00 0.00 N ATOM 956 CA ILE A 61 9.265 -6.059 -15.206 1.00 0.00 C ATOM 957 C ILE A 61 9.100 -7.034 -14.046 1.00 0.00 C ATOM 958 O ILE A 61 9.690 -6.885 -12.995 1.00 0.00 O ATOM 959 CB ILE A 61 10.606 -6.309 -15.894 1.00 0.00 C ATOM 960 CG1 ILE A 61 10.855 -5.217 -16.937 1.00 0.00 C ATOM 961 CG2 ILE A 61 10.575 -7.674 -16.583 1.00 0.00 C ATOM 962 CD1 ILE A 61 12.361 -5.012 -17.112 1.00 0.00 C ATOM 0 H ILE A 61 10.100 -4.181 -14.631 1.00 0.00 H new ATOM 0 HA ILE A 61 8.456 -6.214 -15.920 1.00 0.00 H new ATOM 0 HB ILE A 61 11.405 -6.292 -15.153 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.403 -5.498 -17.888 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.385 -4.285 -16.623 1.00 0.00 H new ATOM 0 HG21 ILE A 61 11.531 -7.855 -17.075 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.396 -8.452 -15.841 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.777 -7.689 -17.325 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.538 -4.234 -17.855 1.00 0.00 H new ATOM 0 HD12 ILE A 61 12.800 -4.712 -16.161 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.819 -5.943 -17.445 1.00 0.00 H new ATOM 974 N HIS A 62 8.300 -8.039 -14.248 1.00 0.00 N ATOM 975 CA HIS A 62 8.061 -9.052 -13.190 1.00 0.00 C ATOM 976 C HIS A 62 8.429 -10.424 -13.719 1.00 0.00 C ATOM 977 O HIS A 62 8.431 -10.656 -14.911 1.00 0.00 O ATOM 978 CB HIS A 62 6.574 -9.098 -12.865 1.00 0.00 C ATOM 979 CG HIS A 62 6.113 -7.771 -12.338 1.00 0.00 C ATOM 980 ND1 HIS A 62 5.844 -7.551 -10.996 1.00 0.00 N ATOM 981 CD2 HIS A 62 5.852 -6.585 -12.974 1.00 0.00 C ATOM 982 CE1 HIS A 62 5.438 -6.273 -10.870 1.00 0.00 C ATOM 983 NE2 HIS A 62 5.425 -5.639 -12.046 1.00 0.00 N ATOM 0 H HIS A 62 7.793 -8.203 -15.118 1.00 0.00 H new ATOM 0 HA HIS A 62 8.653 -8.791 -12.313 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.008 -9.358 -13.759 1.00 0.00 H new ATOM 0 HB3 HIS A 62 6.380 -9.877 -12.127 1.00 0.00 H new ATOM 0 HD1 HIS A 62 5.937 -8.232 -10.242 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.961 -6.411 -14.034 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.157 -5.816 -9.932 1.00 0.00 H new ATOM 991 N TYR A 63 8.677 -11.362 -12.855 1.00 0.00 N ATOM 992 CA TYR A 63 8.963 -12.719 -13.369 1.00 0.00 C ATOM 993 C TYR A 63 8.202 -13.760 -12.553 1.00 0.00 C ATOM 994 O TYR A 63 8.659 -14.248 -11.536 1.00 0.00 O ATOM 995 CB TYR A 63 10.468 -13.024 -13.400 1.00 0.00 C ATOM 996 CG TYR A 63 11.077 -12.982 -12.018 1.00 0.00 C ATOM 997 CD1 TYR A 63 11.496 -11.762 -11.478 1.00 0.00 C ATOM 998 CD2 TYR A 63 11.256 -14.168 -11.294 1.00 0.00 C ATOM 999 CE1 TYR A 63 12.090 -11.725 -10.210 1.00 0.00 C ATOM 1000 CE2 TYR A 63 11.855 -14.131 -10.028 1.00 0.00 C ATOM 1001 CZ TYR A 63 12.271 -12.909 -9.487 1.00 0.00 C ATOM 1002 OH TYR A 63 12.865 -12.872 -8.242 1.00 0.00 O ATOM 0 H TYR A 63 8.694 -11.252 -11.841 1.00 0.00 H new ATOM 0 HA TYR A 63 8.618 -12.763 -14.402 1.00 0.00 H new ATOM 0 HB2 TYR A 63 10.631 -14.008 -13.839 1.00 0.00 H new ATOM 0 HB3 TYR A 63 10.972 -12.301 -14.042 1.00 0.00 H new ATOM 0 HD1 TYR A 63 11.362 -10.849 -12.038 1.00 0.00 H new ATOM 0 HD2 TYR A 63 10.932 -15.110 -11.711 1.00 0.00 H new ATOM 0 HE1 TYR A 63 12.408 -10.782 -9.790 1.00 0.00 H new ATOM 0 HE2 TYR A 63 11.996 -15.045 -9.470 1.00 0.00 H new ATOM 0 HH TYR A 63 13.135 -13.777 -7.981 1.00 0.00 H new ATOM 1012 N TRP A 64 7.035 -14.105 -13.029 1.00 0.00 N ATOM 1013 CA TRP A 64 6.187 -15.128 -12.359 1.00 0.00 C ATOM 1014 C TRP A 64 6.815 -16.483 -12.631 1.00 0.00 C ATOM 1015 O TRP A 64 6.996 -16.882 -13.758 1.00 0.00 O ATOM 1016 CB TRP A 64 4.790 -15.046 -12.959 1.00 0.00 C ATOM 1017 CG TRP A 64 3.773 -15.708 -12.083 1.00 0.00 C ATOM 1018 CD1 TRP A 64 3.411 -15.359 -10.809 1.00 0.00 C ATOM 1019 CD2 TRP A 64 2.949 -16.835 -12.444 1.00 0.00 C ATOM 1020 NE1 TRP A 64 2.416 -16.229 -10.388 1.00 0.00 N ATOM 1021 CE2 TRP A 64 2.100 -17.156 -11.364 1.00 0.00 C ATOM 1022 CE3 TRP A 64 2.873 -17.601 -13.610 1.00 0.00 C ATOM 1023 CZ2 TRP A 64 1.195 -18.215 -11.443 1.00 0.00 C ATOM 1024 CZ3 TRP A 64 1.966 -18.668 -13.700 1.00 0.00 C ATOM 1025 CH2 TRP A 64 1.128 -18.974 -12.617 1.00 0.00 C ATOM 0 H TRP A 64 6.626 -13.709 -13.876 1.00 0.00 H new ATOM 0 HA TRP A 64 6.118 -14.969 -11.283 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.518 -14.001 -13.107 1.00 0.00 H new ATOM 0 HB3 TRP A 64 4.787 -15.518 -13.941 1.00 0.00 H new ATOM 0 HD1 TRP A 64 3.828 -14.547 -10.232 1.00 0.00 H new ATOM 0 HE1 TRP A 64 1.972 -16.190 -9.471 1.00 0.00 H new ATOM 0 HE3 TRP A 64 3.516 -17.371 -14.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 0.552 -18.447 -10.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 1.913 -19.255 -14.605 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.431 -19.796 -12.689 1.00 0.00 H new ATOM 1036 N LEU A 65 7.201 -17.161 -11.605 1.00 0.00 N ATOM 1037 CA LEU A 65 7.879 -18.468 -11.791 1.00 0.00 C ATOM 1038 C LEU A 65 6.990 -19.619 -11.334 1.00 0.00 C ATOM 1039 O LEU A 65 7.196 -20.197 -10.289 1.00 0.00 O ATOM 1040 CB LEU A 65 9.176 -18.490 -10.975 1.00 0.00 C ATOM 1041 CG LEU A 65 10.212 -17.468 -11.494 1.00 0.00 C ATOM 1042 CD1 LEU A 65 11.526 -18.194 -11.734 1.00 0.00 C ATOM 1043 CD2 LEU A 65 9.780 -16.806 -12.811 1.00 0.00 C ATOM 0 H LEU A 65 7.078 -16.870 -10.635 1.00 0.00 H new ATOM 0 HA LEU A 65 8.094 -18.591 -12.853 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.949 -18.276 -9.931 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.607 -19.490 -11.009 1.00 0.00 H new ATOM 0 HG LEU A 65 10.309 -16.685 -10.742 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.270 -17.487 -12.101 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.874 -18.635 -10.800 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.377 -18.981 -12.473 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.544 -16.097 -13.130 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.651 -17.570 -13.577 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.837 -16.280 -12.662 1.00 0.00 H new ATOM 1055 N GLY A 66 6.031 -19.978 -12.133 1.00 0.00 N ATOM 1056 CA GLY A 66 5.149 -21.130 -11.775 1.00 0.00 C ATOM 1057 C GLY A 66 6.010 -22.395 -11.777 1.00 0.00 C ATOM 1058 O GLY A 66 6.131 -23.069 -12.783 1.00 0.00 O ATOM 0 H GLY A 66 5.815 -19.526 -13.022 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.698 -20.976 -10.795 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.332 -21.223 -12.490 1.00 0.00 H new ATOM 1062 N LYS A 67 6.633 -22.673 -10.655 1.00 0.00 N ATOM 1063 CA LYS A 67 7.553 -23.841 -10.511 1.00 0.00 C ATOM 1064 C LYS A 67 6.909 -25.152 -10.948 1.00 0.00 C ATOM 1065 O LYS A 67 6.265 -25.837 -10.178 1.00 0.00 O ATOM 1066 CB LYS A 67 7.985 -23.960 -9.049 1.00 0.00 C ATOM 1067 CG LYS A 67 6.814 -23.592 -8.136 1.00 0.00 C ATOM 1068 CD LYS A 67 7.086 -22.241 -7.472 1.00 0.00 C ATOM 1069 CE LYS A 67 8.444 -22.282 -6.768 1.00 0.00 C ATOM 1070 NZ LYS A 67 8.244 -22.170 -5.296 1.00 0.00 N ATOM 0 H LYS A 67 6.536 -22.116 -9.806 1.00 0.00 H new ATOM 0 HA LYS A 67 8.410 -23.664 -11.161 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.317 -24.977 -8.839 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.832 -23.301 -8.855 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.890 -23.546 -8.713 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.677 -24.361 -7.376 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.076 -21.448 -8.220 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.299 -22.012 -6.754 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.961 -23.212 -7.006 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.074 -21.467 -7.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.167 -22.198 -4.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.768 -21.272 -5.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.658 -22.962 -4.964 1.00 0.00 H new ATOM 1084 N ASN A 68 7.133 -25.520 -12.170 1.00 0.00 N ATOM 1085 CA ASN A 68 6.597 -26.811 -12.691 1.00 0.00 C ATOM 1086 C ASN A 68 7.396 -27.208 -13.932 1.00 0.00 C ATOM 1087 O ASN A 68 7.706 -28.363 -14.144 1.00 0.00 O ATOM 1088 CB ASN A 68 5.126 -26.663 -13.064 1.00 0.00 C ATOM 1089 CG ASN A 68 4.306 -26.340 -11.813 1.00 0.00 C ATOM 1090 OD1 ASN A 68 4.342 -25.232 -11.315 1.00 0.00 O ATOM 1091 ND2 ASN A 68 3.560 -27.269 -11.279 1.00 0.00 N ATOM 0 H ASN A 68 7.672 -24.977 -12.845 1.00 0.00 H new ATOM 0 HA ASN A 68 6.687 -27.577 -11.920 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.006 -25.871 -13.803 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.763 -27.583 -13.521 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.009 -27.064 -10.446 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.528 -28.200 -11.695 1.00 0.00 H new ATOM 1098 N SER A 69 7.736 -26.251 -14.754 1.00 0.00 N ATOM 1099 CA SER A 69 8.519 -26.559 -15.982 1.00 0.00 C ATOM 1100 C SER A 69 9.954 -26.918 -15.590 1.00 0.00 C ATOM 1101 O SER A 69 10.195 -27.517 -14.561 1.00 0.00 O ATOM 1102 CB SER A 69 8.526 -25.334 -16.898 1.00 0.00 C ATOM 1103 OG SER A 69 9.544 -24.437 -16.474 1.00 0.00 O ATOM 0 H SER A 69 7.503 -25.266 -14.626 1.00 0.00 H new ATOM 0 HA SER A 69 8.066 -27.400 -16.507 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.700 -25.638 -17.930 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.555 -24.840 -16.871 1.00 0.00 H new ATOM 0 HG SER A 69 9.171 -23.535 -16.389 1.00 0.00 H new ATOM 1109 N SER A 70 10.911 -26.563 -16.405 1.00 0.00 N ATOM 1110 CA SER A 70 12.327 -26.891 -16.077 1.00 0.00 C ATOM 1111 C SER A 70 12.942 -25.769 -15.236 1.00 0.00 C ATOM 1112 O SER A 70 12.681 -24.598 -15.448 1.00 0.00 O ATOM 1113 CB SER A 70 13.123 -27.051 -17.372 1.00 0.00 C ATOM 1114 OG SER A 70 12.874 -25.935 -18.217 1.00 0.00 O ATOM 0 H SER A 70 10.773 -26.061 -17.282 1.00 0.00 H new ATOM 0 HA SER A 70 12.358 -27.821 -15.509 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.188 -27.124 -17.151 1.00 0.00 H new ATOM 0 HB3 SER A 70 12.838 -27.974 -17.876 1.00 0.00 H new ATOM 0 HG SER A 70 13.724 -25.591 -18.563 1.00 0.00 H new ATOM 1120 N GLN A 71 13.765 -26.119 -14.285 1.00 0.00 N ATOM 1121 CA GLN A 71 14.404 -25.079 -13.434 1.00 0.00 C ATOM 1122 C GLN A 71 15.036 -24.017 -14.335 1.00 0.00 C ATOM 1123 O GLN A 71 14.864 -22.832 -14.132 1.00 0.00 O ATOM 1124 CB GLN A 71 15.487 -25.724 -12.566 1.00 0.00 C ATOM 1125 CG GLN A 71 16.200 -24.645 -11.749 1.00 0.00 C ATOM 1126 CD GLN A 71 17.590 -25.144 -11.350 1.00 0.00 C ATOM 1127 OE1 GLN A 71 18.559 -24.418 -11.448 1.00 0.00 O ATOM 1128 NE2 GLN A 71 17.728 -26.360 -10.898 1.00 0.00 N ATOM 0 H GLN A 71 14.022 -27.081 -14.062 1.00 0.00 H new ATOM 0 HA GLN A 71 13.655 -24.617 -12.791 1.00 0.00 H new ATOM 0 HB2 GLN A 71 15.041 -26.463 -11.900 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.204 -26.252 -13.194 1.00 0.00 H new ATOM 0 HG2 GLN A 71 16.284 -23.728 -12.332 1.00 0.00 H new ATOM 0 HG3 GLN A 71 15.619 -24.404 -10.859 1.00 0.00 H new ATOM 0 HE21 GLN A 71 16.914 -26.969 -10.816 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.650 -26.702 -10.627 1.00 0.00 H new ATOM 1137 N ASP A 72 15.761 -24.433 -15.336 1.00 0.00 N ATOM 1138 CA ASP A 72 16.394 -23.444 -16.251 1.00 0.00 C ATOM 1139 C ASP A 72 15.316 -22.515 -16.802 1.00 0.00 C ATOM 1140 O ASP A 72 15.526 -21.329 -16.945 1.00 0.00 O ATOM 1141 CB ASP A 72 17.083 -24.176 -17.403 1.00 0.00 C ATOM 1142 CG ASP A 72 16.208 -25.342 -17.864 1.00 0.00 C ATOM 1143 OD1 ASP A 72 15.364 -25.124 -18.719 1.00 0.00 O ATOM 1144 OD2 ASP A 72 16.394 -26.436 -17.355 1.00 0.00 O ATOM 0 H ASP A 72 15.942 -25.412 -15.559 1.00 0.00 H new ATOM 0 HA ASP A 72 17.137 -22.861 -15.706 1.00 0.00 H new ATOM 0 HB2 ASP A 72 17.258 -23.489 -18.231 1.00 0.00 H new ATOM 0 HB3 ASP A 72 18.058 -24.544 -17.083 1.00 0.00 H new ATOM 1149 N GLU A 73 14.158 -23.038 -17.100 1.00 0.00 N ATOM 1150 CA GLU A 73 13.071 -22.167 -17.625 1.00 0.00 C ATOM 1151 C GLU A 73 12.816 -21.055 -16.616 1.00 0.00 C ATOM 1152 O GLU A 73 12.588 -19.919 -16.976 1.00 0.00 O ATOM 1153 CB GLU A 73 11.796 -22.987 -17.827 1.00 0.00 C ATOM 1154 CG GLU A 73 11.215 -22.689 -19.210 1.00 0.00 C ATOM 1155 CD GLU A 73 12.293 -22.898 -20.275 1.00 0.00 C ATOM 1156 OE1 GLU A 73 13.192 -23.687 -20.033 1.00 0.00 O ATOM 1157 OE2 GLU A 73 12.201 -22.268 -21.316 1.00 0.00 O ATOM 0 H GLU A 73 13.919 -24.025 -17.003 1.00 0.00 H new ATOM 0 HA GLU A 73 13.365 -21.742 -18.585 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.016 -24.051 -17.734 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.067 -22.743 -17.054 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.364 -23.341 -19.406 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.846 -21.664 -19.248 1.00 0.00 H new ATOM 1164 N GLN A 74 12.870 -21.365 -15.350 1.00 0.00 N ATOM 1165 CA GLN A 74 12.652 -20.303 -14.334 1.00 0.00 C ATOM 1166 C GLN A 74 13.764 -19.260 -14.496 1.00 0.00 C ATOM 1167 O GLN A 74 13.548 -18.072 -14.342 1.00 0.00 O ATOM 1168 CB GLN A 74 12.672 -20.921 -12.921 1.00 0.00 C ATOM 1169 CG GLN A 74 14.081 -20.873 -12.317 1.00 0.00 C ATOM 1170 CD GLN A 74 14.227 -21.971 -11.262 1.00 0.00 C ATOM 1171 OE1 GLN A 74 15.327 -22.356 -10.919 1.00 0.00 O ATOM 1172 NE2 GLN A 74 13.158 -22.493 -10.726 1.00 0.00 N ATOM 0 H GLN A 74 13.054 -22.298 -14.980 1.00 0.00 H new ATOM 0 HA GLN A 74 11.682 -19.826 -14.473 1.00 0.00 H new ATOM 0 HB2 GLN A 74 11.978 -20.383 -12.276 1.00 0.00 H new ATOM 0 HB3 GLN A 74 12.328 -21.954 -12.968 1.00 0.00 H new ATOM 0 HG2 GLN A 74 14.828 -21.006 -13.100 1.00 0.00 H new ATOM 0 HG3 GLN A 74 14.261 -19.897 -11.867 1.00 0.00 H new ATOM 0 HE21 GLN A 74 12.234 -22.170 -11.013 1.00 0.00 H new ATOM 0 HE22 GLN A 74 13.246 -23.224 -10.020 1.00 0.00 H new ATOM 1181 N GLY A 75 14.951 -19.703 -14.826 1.00 0.00 N ATOM 1182 CA GLY A 75 16.076 -18.746 -15.018 1.00 0.00 C ATOM 1183 C GLY A 75 15.964 -18.117 -16.408 1.00 0.00 C ATOM 1184 O GLY A 75 16.607 -17.132 -16.708 1.00 0.00 O ATOM 0 H GLY A 75 15.187 -20.685 -14.970 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.047 -17.972 -14.251 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.031 -19.262 -14.914 1.00 0.00 H new ATOM 1188 N ALA A 76 15.145 -18.677 -17.257 1.00 0.00 N ATOM 1189 CA ALA A 76 14.982 -18.110 -18.623 1.00 0.00 C ATOM 1190 C ALA A 76 14.040 -16.909 -18.546 1.00 0.00 C ATOM 1191 O ALA A 76 14.289 -15.874 -19.126 1.00 0.00 O ATOM 1192 CB ALA A 76 14.388 -19.170 -19.553 1.00 0.00 C ATOM 0 H ALA A 76 14.581 -19.504 -17.061 1.00 0.00 H new ATOM 0 HA ALA A 76 15.951 -17.798 -19.013 1.00 0.00 H new ATOM 0 HB1 ALA A 76 14.270 -18.752 -20.553 1.00 0.00 H new ATOM 0 HB2 ALA A 76 15.055 -20.031 -19.596 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.415 -19.483 -19.173 1.00 0.00 H new ATOM 1198 N ALA A 77 12.963 -17.042 -17.824 1.00 0.00 N ATOM 1199 CA ALA A 77 12.008 -15.905 -17.696 1.00 0.00 C ATOM 1200 C ALA A 77 12.672 -14.786 -16.894 1.00 0.00 C ATOM 1201 O ALA A 77 12.593 -13.625 -17.245 1.00 0.00 O ATOM 1202 CB ALA A 77 10.747 -16.371 -16.966 1.00 0.00 C ATOM 0 H ALA A 77 12.702 -17.888 -17.317 1.00 0.00 H new ATOM 0 HA ALA A 77 11.736 -15.542 -18.687 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.051 -15.537 -16.874 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.276 -17.176 -17.530 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.014 -16.732 -15.973 1.00 0.00 H new ATOM 1208 N ALA A 78 13.327 -15.125 -15.816 1.00 0.00 N ATOM 1209 CA ALA A 78 13.996 -14.080 -14.991 1.00 0.00 C ATOM 1210 C ALA A 78 15.124 -13.437 -15.801 1.00 0.00 C ATOM 1211 O ALA A 78 15.234 -12.228 -15.878 1.00 0.00 O ATOM 1212 CB ALA A 78 14.576 -14.722 -13.729 1.00 0.00 C ATOM 0 H ALA A 78 13.427 -16.080 -15.472 1.00 0.00 H new ATOM 0 HA ALA A 78 13.270 -13.317 -14.710 1.00 0.00 H new ATOM 0 HB1 ALA A 78 15.066 -13.959 -13.125 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.773 -15.181 -13.153 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.303 -15.484 -14.010 1.00 0.00 H new ATOM 1218 N ILE A 79 15.965 -14.232 -16.406 1.00 0.00 N ATOM 1219 CA ILE A 79 17.082 -13.659 -17.207 1.00 0.00 C ATOM 1220 C ILE A 79 16.517 -12.708 -18.262 1.00 0.00 C ATOM 1221 O ILE A 79 17.030 -11.626 -18.471 1.00 0.00 O ATOM 1222 CB ILE A 79 17.854 -14.784 -17.896 1.00 0.00 C ATOM 1223 CG1 ILE A 79 18.647 -15.573 -16.852 1.00 0.00 C ATOM 1224 CG2 ILE A 79 18.820 -14.179 -18.916 1.00 0.00 C ATOM 1225 CD1 ILE A 79 19.065 -16.922 -17.440 1.00 0.00 C ATOM 0 H ILE A 79 15.926 -15.251 -16.380 1.00 0.00 H new ATOM 0 HA ILE A 79 17.755 -13.113 -16.546 1.00 0.00 H new ATOM 0 HB ILE A 79 17.156 -15.451 -18.401 1.00 0.00 H new ATOM 0 HG12 ILE A 79 19.528 -15.009 -16.547 1.00 0.00 H new ATOM 0 HG13 ILE A 79 18.041 -15.726 -15.959 1.00 0.00 H new ATOM 0 HG21 ILE A 79 19.374 -14.977 -19.411 1.00 0.00 H new ATOM 0 HG22 ILE A 79 18.258 -13.613 -19.659 1.00 0.00 H new ATOM 0 HG23 ILE A 79 19.518 -13.515 -18.406 1.00 0.00 H new ATOM 0 HD11 ILE A 79 19.630 -17.484 -16.696 1.00 0.00 H new ATOM 0 HD12 ILE A 79 18.177 -17.486 -17.723 1.00 0.00 H new ATOM 0 HD13 ILE A 79 19.687 -16.758 -18.320 1.00 0.00 H new ATOM 1237 N TYR A 80 15.463 -13.095 -18.929 1.00 0.00 N ATOM 1238 CA TYR A 80 14.877 -12.199 -19.961 1.00 0.00 C ATOM 1239 C TYR A 80 14.377 -10.926 -19.279 1.00 0.00 C ATOM 1240 O TYR A 80 14.410 -9.851 -19.845 1.00 0.00 O ATOM 1241 CB TYR A 80 13.714 -12.908 -20.659 1.00 0.00 C ATOM 1242 CG TYR A 80 14.260 -13.870 -21.686 1.00 0.00 C ATOM 1243 CD1 TYR A 80 15.262 -14.780 -21.329 1.00 0.00 C ATOM 1244 CD2 TYR A 80 13.767 -13.851 -22.997 1.00 0.00 C ATOM 1245 CE1 TYR A 80 15.770 -15.671 -22.282 1.00 0.00 C ATOM 1246 CE2 TYR A 80 14.276 -14.743 -23.949 1.00 0.00 C ATOM 1247 CZ TYR A 80 15.277 -15.653 -23.591 1.00 0.00 C ATOM 1248 OH TYR A 80 15.779 -16.532 -24.531 1.00 0.00 O ATOM 0 H TYR A 80 14.986 -13.988 -18.803 1.00 0.00 H new ATOM 0 HA TYR A 80 15.631 -11.946 -20.706 1.00 0.00 H new ATOM 0 HB2 TYR A 80 13.108 -13.444 -19.928 1.00 0.00 H new ATOM 0 HB3 TYR A 80 13.063 -12.177 -21.139 1.00 0.00 H new ATOM 0 HD1 TYR A 80 15.643 -14.795 -20.319 1.00 0.00 H new ATOM 0 HD2 TYR A 80 12.995 -13.149 -23.274 1.00 0.00 H new ATOM 0 HE1 TYR A 80 16.543 -16.373 -22.006 1.00 0.00 H new ATOM 0 HE2 TYR A 80 13.896 -14.729 -24.960 1.00 0.00 H new ATOM 0 HH TYR A 80 15.055 -17.100 -24.868 1.00 0.00 H new ATOM 1258 N THR A 81 13.930 -11.037 -18.058 1.00 0.00 N ATOM 1259 CA THR A 81 13.447 -9.834 -17.328 1.00 0.00 C ATOM 1260 C THR A 81 14.637 -8.910 -17.073 1.00 0.00 C ATOM 1261 O THR A 81 14.492 -7.715 -16.912 1.00 0.00 O ATOM 1262 CB THR A 81 12.829 -10.260 -15.992 1.00 0.00 C ATOM 1263 OG1 THR A 81 11.568 -10.868 -16.228 1.00 0.00 O ATOM 1264 CG2 THR A 81 12.648 -9.034 -15.094 1.00 0.00 C ATOM 0 H THR A 81 13.879 -11.911 -17.535 1.00 0.00 H new ATOM 0 HA THR A 81 12.692 -9.315 -17.919 1.00 0.00 H new ATOM 0 HB THR A 81 13.489 -10.973 -15.498 1.00 0.00 H new ATOM 0 HG1 THR A 81 11.702 -11.778 -16.567 1.00 0.00 H new ATOM 0 HG21 THR A 81 12.208 -9.340 -14.145 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.617 -8.570 -14.912 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.989 -8.318 -15.585 1.00 0.00 H new ATOM 1272 N THR A 82 15.817 -9.465 -17.037 1.00 0.00 N ATOM 1273 CA THR A 82 17.033 -8.640 -16.799 1.00 0.00 C ATOM 1274 C THR A 82 17.504 -8.043 -18.129 1.00 0.00 C ATOM 1275 O THR A 82 18.084 -6.976 -18.172 1.00 0.00 O ATOM 1276 CB THR A 82 18.133 -9.530 -16.205 1.00 0.00 C ATOM 1277 OG1 THR A 82 17.882 -9.725 -14.820 1.00 0.00 O ATOM 1278 CG2 THR A 82 19.502 -8.870 -16.386 1.00 0.00 C ATOM 0 H THR A 82 15.991 -10.462 -17.163 1.00 0.00 H new ATOM 0 HA THR A 82 16.808 -7.832 -16.103 1.00 0.00 H new ATOM 0 HB THR A 82 18.132 -10.490 -16.721 1.00 0.00 H new ATOM 0 HG1 THR A 82 18.582 -10.295 -14.438 1.00 0.00 H new ATOM 0 HG21 THR A 82 20.274 -9.511 -15.961 1.00 0.00 H new ATOM 0 HG22 THR A 82 19.697 -8.723 -17.448 1.00 0.00 H new ATOM 0 HG23 THR A 82 19.511 -7.905 -15.878 1.00 0.00 H new ATOM 1286 N GLN A 83 17.261 -8.726 -19.214 1.00 0.00 N ATOM 1287 CA GLN A 83 17.695 -8.201 -20.539 1.00 0.00 C ATOM 1288 C GLN A 83 16.822 -7.006 -20.926 1.00 0.00 C ATOM 1289 O GLN A 83 17.293 -6.039 -21.493 1.00 0.00 O ATOM 1290 CB GLN A 83 17.551 -9.300 -21.595 1.00 0.00 C ATOM 1291 CG GLN A 83 18.928 -9.643 -22.166 1.00 0.00 C ATOM 1292 CD GLN A 83 18.783 -10.731 -23.231 1.00 0.00 C ATOM 1293 OE1 GLN A 83 18.513 -11.874 -22.917 1.00 0.00 O ATOM 1294 NE2 GLN A 83 18.951 -10.423 -24.488 1.00 0.00 N ATOM 0 H GLN A 83 16.780 -9.625 -19.240 1.00 0.00 H new ATOM 0 HA GLN A 83 18.737 -7.886 -20.481 1.00 0.00 H new ATOM 0 HB2 GLN A 83 17.098 -10.187 -21.152 1.00 0.00 H new ATOM 0 HB3 GLN A 83 16.887 -8.967 -22.393 1.00 0.00 H new ATOM 0 HG2 GLN A 83 19.385 -8.754 -22.600 1.00 0.00 H new ATOM 0 HG3 GLN A 83 19.589 -9.985 -21.369 1.00 0.00 H new ATOM 0 HE21 GLN A 83 19.178 -9.464 -24.752 1.00 0.00 H new ATOM 0 HE22 GLN A 83 18.856 -11.141 -25.206 1.00 0.00 H new ATOM 1303 N MET A 84 15.554 -7.062 -20.625 1.00 0.00 N ATOM 1304 CA MET A 84 14.655 -5.926 -20.978 1.00 0.00 C ATOM 1305 C MET A 84 14.769 -4.836 -19.912 1.00 0.00 C ATOM 1306 O MET A 84 14.660 -3.660 -20.199 1.00 0.00 O ATOM 1307 CB MET A 84 13.209 -6.421 -21.055 1.00 0.00 C ATOM 1308 CG MET A 84 12.793 -7.006 -19.705 1.00 0.00 C ATOM 1309 SD MET A 84 11.624 -8.362 -19.971 1.00 0.00 S ATOM 1310 CE MET A 84 10.577 -7.525 -21.187 1.00 0.00 C ATOM 0 H MET A 84 15.102 -7.844 -20.151 1.00 0.00 H new ATOM 0 HA MET A 84 14.948 -5.518 -21.946 1.00 0.00 H new ATOM 0 HB2 MET A 84 12.547 -5.599 -21.326 1.00 0.00 H new ATOM 0 HB3 MET A 84 13.114 -7.177 -21.835 1.00 0.00 H new ATOM 0 HG2 MET A 84 13.670 -7.367 -19.167 1.00 0.00 H new ATOM 0 HG3 MET A 84 12.336 -6.233 -19.087 1.00 0.00 H new ATOM 0 HE1 MET A 84 9.838 -8.226 -21.575 1.00 0.00 H new ATOM 0 HE2 MET A 84 10.067 -6.686 -20.713 1.00 0.00 H new ATOM 0 HE3 MET A 84 11.194 -7.158 -22.007 1.00 0.00 H new ATOM 1320 N ASP A 85 14.990 -5.214 -18.683 1.00 0.00 N ATOM 1321 CA ASP A 85 15.115 -4.195 -17.603 1.00 0.00 C ATOM 1322 C ASP A 85 16.279 -3.256 -17.926 1.00 0.00 C ATOM 1323 O ASP A 85 16.284 -2.103 -17.544 1.00 0.00 O ATOM 1324 CB ASP A 85 15.377 -4.896 -16.268 1.00 0.00 C ATOM 1325 CG ASP A 85 15.098 -3.926 -15.119 1.00 0.00 C ATOM 1326 OD1 ASP A 85 15.674 -2.850 -15.124 1.00 0.00 O ATOM 1327 OD2 ASP A 85 14.314 -4.275 -14.252 1.00 0.00 O ATOM 0 H ASP A 85 15.089 -6.183 -18.380 1.00 0.00 H new ATOM 0 HA ASP A 85 14.192 -3.620 -17.534 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.741 -5.777 -16.177 1.00 0.00 H new ATOM 0 HB3 ASP A 85 16.410 -5.242 -16.223 1.00 0.00 H new ATOM 1332 N GLU A 86 17.266 -3.742 -18.629 1.00 0.00 N ATOM 1333 CA GLU A 86 18.428 -2.879 -18.978 1.00 0.00 C ATOM 1334 C GLU A 86 18.161 -2.180 -20.313 1.00 0.00 C ATOM 1335 O GLU A 86 18.528 -1.039 -20.512 1.00 0.00 O ATOM 1336 CB GLU A 86 19.686 -3.743 -19.097 1.00 0.00 C ATOM 1337 CG GLU A 86 20.902 -2.945 -18.623 1.00 0.00 C ATOM 1338 CD GLU A 86 22.097 -3.884 -18.459 1.00 0.00 C ATOM 1339 OE1 GLU A 86 22.123 -4.900 -19.133 1.00 0.00 O ATOM 1340 OE2 GLU A 86 22.965 -3.571 -17.661 1.00 0.00 O ATOM 0 H GLU A 86 17.317 -4.700 -18.976 1.00 0.00 H new ATOM 0 HA GLU A 86 18.573 -2.131 -18.199 1.00 0.00 H new ATOM 0 HB2 GLU A 86 19.576 -4.648 -18.499 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.826 -4.059 -20.131 1.00 0.00 H new ATOM 0 HG2 GLU A 86 21.138 -2.161 -19.342 1.00 0.00 H new ATOM 0 HG3 GLU A 86 20.680 -2.453 -17.676 1.00 0.00 H new ATOM 1347 N TYR A 87 17.525 -2.857 -21.230 1.00 0.00 N ATOM 1348 CA TYR A 87 17.235 -2.232 -22.552 1.00 0.00 C ATOM 1349 C TYR A 87 16.153 -1.163 -22.387 1.00 0.00 C ATOM 1350 O TYR A 87 15.861 -0.417 -23.301 1.00 0.00 O ATOM 1351 CB TYR A 87 16.746 -3.306 -23.527 1.00 0.00 C ATOM 1352 CG TYR A 87 17.927 -4.089 -24.045 1.00 0.00 C ATOM 1353 CD1 TYR A 87 18.828 -4.676 -23.148 1.00 0.00 C ATOM 1354 CD2 TYR A 87 18.122 -4.230 -25.425 1.00 0.00 C ATOM 1355 CE1 TYR A 87 19.923 -5.402 -23.631 1.00 0.00 C ATOM 1356 CE2 TYR A 87 19.216 -4.957 -25.906 1.00 0.00 C ATOM 1357 CZ TYR A 87 20.117 -5.543 -25.010 1.00 0.00 C ATOM 1358 OH TYR A 87 21.198 -6.258 -25.485 1.00 0.00 O ATOM 0 H TYR A 87 17.194 -3.816 -21.121 1.00 0.00 H new ATOM 0 HA TYR A 87 18.143 -1.772 -22.942 1.00 0.00 H new ATOM 0 HB2 TYR A 87 16.044 -3.974 -23.027 1.00 0.00 H new ATOM 0 HB3 TYR A 87 16.211 -2.843 -24.356 1.00 0.00 H new ATOM 0 HD1 TYR A 87 18.678 -4.569 -22.084 1.00 0.00 H new ATOM 0 HD2 TYR A 87 17.428 -3.777 -26.118 1.00 0.00 H new ATOM 0 HE1 TYR A 87 20.619 -5.854 -22.939 1.00 0.00 H new ATOM 0 HE2 TYR A 87 19.365 -5.066 -26.970 1.00 0.00 H new ATOM 0 HH TYR A 87 21.184 -6.260 -26.465 1.00 0.00 H new ATOM 1368 N LEU A 88 15.555 -1.083 -21.231 1.00 0.00 N ATOM 1369 CA LEU A 88 14.492 -0.062 -21.010 1.00 0.00 C ATOM 1370 C LEU A 88 15.134 1.265 -20.604 1.00 0.00 C ATOM 1371 O LEU A 88 14.500 2.302 -20.618 1.00 0.00 O ATOM 1372 CB LEU A 88 13.553 -0.537 -19.900 1.00 0.00 C ATOM 1373 CG LEU A 88 12.653 -1.652 -20.434 1.00 0.00 C ATOM 1374 CD1 LEU A 88 12.154 -2.509 -19.270 1.00 0.00 C ATOM 1375 CD2 LEU A 88 11.456 -1.035 -21.161 1.00 0.00 C ATOM 0 H LEU A 88 15.756 -1.681 -20.429 1.00 0.00 H new ATOM 0 HA LEU A 88 13.925 0.077 -21.930 1.00 0.00 H new ATOM 0 HB2 LEU A 88 14.132 -0.898 -19.050 1.00 0.00 H new ATOM 0 HB3 LEU A 88 12.946 0.295 -19.542 1.00 0.00 H new ATOM 0 HG LEU A 88 13.219 -2.275 -21.126 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.513 -3.303 -19.652 1.00 0.00 H new ATOM 0 HD12 LEU A 88 13.006 -2.948 -18.750 1.00 0.00 H new ATOM 0 HD13 LEU A 88 11.588 -1.887 -18.577 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.813 -1.829 -21.542 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.891 -0.412 -20.468 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.810 -0.424 -21.992 1.00 0.00 H new ATOM 1387 N GLY A 89 16.387 1.244 -20.242 1.00 0.00 N ATOM 1388 CA GLY A 89 17.066 2.508 -19.836 1.00 0.00 C ATOM 1389 C GLY A 89 17.133 2.585 -18.310 1.00 0.00 C ATOM 1390 O GLY A 89 17.335 3.641 -17.742 1.00 0.00 O ATOM 0 H GLY A 89 16.970 0.408 -20.210 1.00 0.00 H new ATOM 0 HA2 GLY A 89 18.071 2.545 -20.257 1.00 0.00 H new ATOM 0 HA3 GLY A 89 16.524 3.367 -20.230 1.00 0.00 H new ATOM 1394 N SER A 90 16.965 1.477 -17.642 1.00 0.00 N ATOM 1395 CA SER A 90 17.020 1.490 -16.153 1.00 0.00 C ATOM 1396 C SER A 90 15.750 2.138 -15.598 1.00 0.00 C ATOM 1397 O SER A 90 15.626 2.368 -14.412 1.00 0.00 O ATOM 1398 CB SER A 90 18.241 2.287 -15.694 1.00 0.00 C ATOM 1399 OG SER A 90 19.103 1.439 -14.947 1.00 0.00 O ATOM 0 H SER A 90 16.792 0.564 -18.062 1.00 0.00 H new ATOM 0 HA SER A 90 17.095 0.467 -15.785 1.00 0.00 H new ATOM 0 HB2 SER A 90 18.770 2.693 -16.556 1.00 0.00 H new ATOM 0 HB3 SER A 90 17.928 3.134 -15.084 1.00 0.00 H new ATOM 0 HG SER A 90 19.888 1.947 -14.653 1.00 0.00 H new ATOM 1405 N VAL A 91 14.802 2.435 -16.446 1.00 0.00 N ATOM 1406 CA VAL A 91 13.542 3.067 -15.964 1.00 0.00 C ATOM 1407 C VAL A 91 12.575 1.980 -15.491 1.00 0.00 C ATOM 1408 O VAL A 91 11.602 2.252 -14.817 1.00 0.00 O ATOM 1409 CB VAL A 91 12.900 3.862 -17.103 1.00 0.00 C ATOM 1410 CG1 VAL A 91 13.957 4.744 -17.769 1.00 0.00 C ATOM 1411 CG2 VAL A 91 12.321 2.894 -18.137 1.00 0.00 C ATOM 0 H VAL A 91 14.847 2.267 -17.451 1.00 0.00 H new ATOM 0 HA VAL A 91 13.767 3.739 -15.136 1.00 0.00 H new ATOM 0 HB VAL A 91 12.103 4.489 -16.703 1.00 0.00 H new ATOM 0 HG11 VAL A 91 13.500 5.310 -18.580 1.00 0.00 H new ATOM 0 HG12 VAL A 91 14.371 5.434 -17.034 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.755 4.117 -18.168 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.863 3.460 -18.949 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.119 2.268 -18.536 1.00 0.00 H new ATOM 0 HG23 VAL A 91 11.568 2.264 -17.664 1.00 0.00 H new ATOM 1421 N ALA A 92 12.834 0.751 -15.842 1.00 0.00 N ATOM 1422 CA ALA A 92 11.929 -0.353 -15.415 1.00 0.00 C ATOM 1423 C ALA A 92 12.402 -0.912 -14.072 1.00 0.00 C ATOM 1424 O ALA A 92 13.450 -0.551 -13.572 1.00 0.00 O ATOM 1425 CB ALA A 92 11.951 -1.466 -16.465 1.00 0.00 C ATOM 0 H ALA A 92 13.633 0.463 -16.406 1.00 0.00 H new ATOM 0 HA ALA A 92 10.914 0.031 -15.312 1.00 0.00 H new ATOM 0 HB1 ALA A 92 11.289 -2.274 -16.153 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.613 -1.070 -17.423 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.966 -1.849 -16.569 1.00 0.00 H new ATOM 1431 N VAL A 93 11.638 -1.790 -13.486 1.00 0.00 N ATOM 1432 CA VAL A 93 12.042 -2.375 -12.176 1.00 0.00 C ATOM 1433 C VAL A 93 11.975 -3.899 -12.261 1.00 0.00 C ATOM 1434 O VAL A 93 11.561 -4.457 -13.256 1.00 0.00 O ATOM 1435 CB VAL A 93 11.084 -1.892 -11.085 1.00 0.00 C ATOM 1436 CG1 VAL A 93 11.712 -2.132 -9.712 1.00 0.00 C ATOM 1437 CG2 VAL A 93 10.811 -0.398 -11.267 1.00 0.00 C ATOM 0 H VAL A 93 10.750 -2.129 -13.857 1.00 0.00 H new ATOM 0 HA VAL A 93 13.058 -2.062 -11.937 1.00 0.00 H new ATOM 0 HB VAL A 93 10.146 -2.443 -11.157 1.00 0.00 H new ATOM 0 HG11 VAL A 93 11.030 -1.788 -8.935 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.904 -3.197 -9.581 1.00 0.00 H new ATOM 0 HG13 VAL A 93 12.651 -1.582 -9.640 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.128 -0.055 -10.489 1.00 0.00 H new ATOM 0 HG22 VAL A 93 11.748 0.154 -11.197 1.00 0.00 H new ATOM 0 HG23 VAL A 93 10.362 -0.227 -12.245 1.00 0.00 H new ATOM 1447 N GLN A 94 12.371 -4.580 -11.223 1.00 0.00 N ATOM 1448 CA GLN A 94 12.314 -6.065 -11.249 1.00 0.00 C ATOM 1449 C GLN A 94 11.460 -6.551 -10.078 1.00 0.00 C ATOM 1450 O GLN A 94 11.605 -6.097 -8.961 1.00 0.00 O ATOM 1451 CB GLN A 94 13.729 -6.637 -11.127 1.00 0.00 C ATOM 1452 CG GLN A 94 13.663 -8.165 -11.124 1.00 0.00 C ATOM 1453 CD GLN A 94 14.990 -8.732 -10.617 1.00 0.00 C ATOM 1454 OE1 GLN A 94 16.047 -8.310 -11.043 1.00 0.00 O ATOM 1455 NE2 GLN A 94 14.980 -9.678 -9.718 1.00 0.00 N ATOM 0 H GLN A 94 12.731 -4.173 -10.360 1.00 0.00 H new ATOM 0 HA GLN A 94 11.874 -6.400 -12.189 1.00 0.00 H new ATOM 0 HB2 GLN A 94 14.345 -6.291 -11.957 1.00 0.00 H new ATOM 0 HB3 GLN A 94 14.199 -6.281 -10.210 1.00 0.00 H new ATOM 0 HG2 GLN A 94 12.844 -8.503 -10.489 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.459 -8.533 -12.130 1.00 0.00 H new ATOM 0 HE21 GLN A 94 14.093 -10.032 -9.360 1.00 0.00 H new ATOM 0 HE22 GLN A 94 15.859 -10.063 -9.373 1.00 0.00 H new ATOM 1464 N HIS A 95 10.559 -7.462 -10.324 1.00 0.00 N ATOM 1465 CA HIS A 95 9.689 -7.960 -9.222 1.00 0.00 C ATOM 1466 C HIS A 95 9.752 -9.487 -9.150 1.00 0.00 C ATOM 1467 O HIS A 95 9.805 -10.167 -10.158 1.00 0.00 O ATOM 1468 CB HIS A 95 8.251 -7.517 -9.488 1.00 0.00 C ATOM 1469 CG HIS A 95 8.261 -6.100 -9.991 1.00 0.00 C ATOM 1470 ND1 HIS A 95 8.127 -5.577 -11.251 1.00 0.00 N flip ATOM 1471 CD2 HIS A 95 8.443 -5.014 -9.148 1.00 0.00 C flip ATOM 1472 CE1 HIS A 95 8.225 -4.190 -11.198 1.00 0.00 C flip ATOM 1473 NE2 HIS A 95 8.415 -3.903 -9.908 1.00 0.00 N flip ATOM 0 H HIS A 95 10.388 -7.882 -11.238 1.00 0.00 H new ATOM 0 HA HIS A 95 10.035 -7.551 -8.273 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.784 -8.174 -10.222 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.660 -7.588 -8.575 1.00 0.00 H new ATOM 0 HD2 HIS A 95 8.582 -5.052 -8.078 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.161 -3.495 -12.023 1.00 0.00 H new ATOM 0 HE2 HIS A 95 8.526 -2.957 -9.543 1.00 0.00 H new ATOM 1481 N ARG A 96 9.749 -10.031 -7.961 1.00 0.00 N ATOM 1482 CA ARG A 96 9.811 -11.512 -7.817 1.00 0.00 C ATOM 1483 C ARG A 96 8.398 -12.091 -7.816 1.00 0.00 C ATOM 1484 O ARG A 96 7.580 -11.763 -6.979 1.00 0.00 O ATOM 1485 CB ARG A 96 10.508 -11.869 -6.502 1.00 0.00 C ATOM 1486 CG ARG A 96 10.987 -13.322 -6.555 1.00 0.00 C ATOM 1487 CD ARG A 96 10.013 -14.209 -5.779 1.00 0.00 C ATOM 1488 NE ARG A 96 10.466 -14.326 -4.364 1.00 0.00 N ATOM 1489 CZ ARG A 96 11.370 -15.209 -4.039 1.00 0.00 C ATOM 1490 NH1 ARG A 96 11.326 -16.408 -4.552 1.00 0.00 N ATOM 1491 NH2 ARG A 96 12.318 -14.893 -3.199 1.00 0.00 N ATOM 0 H ARG A 96 9.706 -9.512 -7.084 1.00 0.00 H new ATOM 0 HA ARG A 96 10.371 -11.930 -8.653 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.354 -11.202 -6.334 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.822 -11.731 -5.666 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.054 -13.656 -7.590 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.987 -13.402 -6.129 1.00 0.00 H new ATOM 0 HD2 ARG A 96 9.010 -13.785 -5.817 1.00 0.00 H new ATOM 0 HD3 ARG A 96 9.959 -15.196 -6.238 1.00 0.00 H new ATOM 0 HE ARG A 96 10.069 -13.716 -3.649 1.00 0.00 H new ATOM 0 HH11 ARG A 96 10.585 -16.655 -5.207 1.00 0.00 H new ATOM 0 HH12 ARG A 96 12.033 -17.098 -4.298 1.00 0.00 H new ATOM 0 HH21 ARG A 96 12.352 -13.956 -2.797 1.00 0.00 H new ATOM 0 HH22 ARG A 96 13.025 -15.583 -2.945 1.00 0.00 H new ATOM 1505 N GLU A 97 8.101 -12.947 -8.754 1.00 0.00 N ATOM 1506 CA GLU A 97 6.752 -13.545 -8.821 1.00 0.00 C ATOM 1507 C GLU A 97 6.890 -15.079 -8.886 1.00 0.00 C ATOM 1508 O GLU A 97 7.926 -15.595 -9.256 1.00 0.00 O ATOM 1509 CB GLU A 97 6.060 -12.998 -10.061 1.00 0.00 C ATOM 1510 CG GLU A 97 6.047 -11.469 -10.020 1.00 0.00 C ATOM 1511 CD GLU A 97 4.844 -10.955 -10.813 1.00 0.00 C ATOM 1512 OE1 GLU A 97 4.147 -11.774 -11.390 1.00 0.00 O ATOM 1513 OE2 GLU A 97 4.639 -9.752 -10.829 1.00 0.00 O ATOM 0 H GLU A 97 8.746 -13.256 -9.481 1.00 0.00 H new ATOM 0 HA GLU A 97 6.158 -13.295 -7.942 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.576 -13.342 -10.957 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.040 -13.377 -10.116 1.00 0.00 H new ATOM 0 HG2 GLU A 97 5.993 -11.121 -8.988 1.00 0.00 H new ATOM 0 HG3 GLU A 97 6.971 -11.074 -10.442 1.00 0.00 H new ATOM 1520 N VAL A 98 5.871 -15.804 -8.490 1.00 0.00 N ATOM 1521 CA VAL A 98 5.937 -17.299 -8.478 1.00 0.00 C ATOM 1522 C VAL A 98 4.513 -17.857 -8.461 1.00 0.00 C ATOM 1523 O VAL A 98 3.550 -17.118 -8.447 1.00 0.00 O ATOM 1524 CB VAL A 98 6.650 -17.745 -7.198 1.00 0.00 C ATOM 1525 CG1 VAL A 98 7.135 -19.184 -7.346 1.00 0.00 C ATOM 1526 CG2 VAL A 98 7.849 -16.837 -6.915 1.00 0.00 C ATOM 0 H VAL A 98 4.983 -15.416 -8.170 1.00 0.00 H new ATOM 0 HA VAL A 98 6.471 -17.659 -9.357 1.00 0.00 H new ATOM 0 HB VAL A 98 5.945 -17.680 -6.369 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.641 -19.493 -6.431 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.283 -19.838 -7.528 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.829 -19.250 -8.184 1.00 0.00 H new ATOM 0 HG21 VAL A 98 8.347 -17.165 -6.002 1.00 0.00 H new ATOM 0 HG22 VAL A 98 8.549 -16.888 -7.749 1.00 0.00 H new ATOM 0 HG23 VAL A 98 7.506 -15.810 -6.792 1.00 0.00 H new ATOM 1536 N GLN A 99 4.364 -19.157 -8.434 1.00 0.00 N ATOM 1537 CA GLN A 99 2.992 -19.741 -8.390 1.00 0.00 C ATOM 1538 C GLN A 99 2.405 -19.540 -6.994 1.00 0.00 C ATOM 1539 O GLN A 99 1.265 -19.868 -6.728 1.00 0.00 O ATOM 1540 CB GLN A 99 3.048 -21.234 -8.724 1.00 0.00 C ATOM 1541 CG GLN A 99 1.723 -21.898 -8.339 1.00 0.00 C ATOM 1542 CD GLN A 99 1.606 -23.252 -9.042 1.00 0.00 C ATOM 1543 OE1 GLN A 99 1.607 -23.322 -10.254 1.00 0.00 O ATOM 1544 NE2 GLN A 99 1.503 -24.338 -8.326 1.00 0.00 N ATOM 0 H GLN A 99 5.127 -19.834 -8.440 1.00 0.00 H new ATOM 0 HA GLN A 99 2.361 -19.242 -9.125 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.239 -21.372 -9.788 1.00 0.00 H new ATOM 0 HB3 GLN A 99 3.872 -21.706 -8.188 1.00 0.00 H new ATOM 0 HG2 GLN A 99 1.672 -22.032 -7.258 1.00 0.00 H new ATOM 0 HG3 GLN A 99 0.888 -21.257 -8.621 1.00 0.00 H new ATOM 0 HE21 GLN A 99 1.502 -24.279 -7.308 1.00 0.00 H new ATOM 0 HE22 GLN A 99 1.423 -25.246 -8.785 1.00 0.00 H new ATOM 1553 N GLY A 100 3.180 -18.989 -6.113 1.00 0.00 N ATOM 1554 CA GLY A 100 2.699 -18.734 -4.727 1.00 0.00 C ATOM 1555 C GLY A 100 3.151 -17.334 -4.296 1.00 0.00 C ATOM 1556 O GLY A 100 2.973 -16.934 -3.163 1.00 0.00 O ATOM 0 H GLY A 100 4.141 -18.699 -6.293 1.00 0.00 H new ATOM 0 HA2 GLY A 100 1.612 -18.809 -4.685 1.00 0.00 H new ATOM 0 HA3 GLY A 100 3.097 -19.486 -4.045 1.00 0.00 H new ATOM 1560 N HIS A 101 3.732 -16.587 -5.199 1.00 0.00 N ATOM 1561 CA HIS A 101 4.195 -15.214 -4.859 1.00 0.00 C ATOM 1562 C HIS A 101 3.293 -14.202 -5.565 1.00 0.00 C ATOM 1563 O HIS A 101 2.287 -13.774 -5.035 1.00 0.00 O ATOM 1564 CB HIS A 101 5.640 -15.035 -5.335 1.00 0.00 C ATOM 1565 CG HIS A 101 6.532 -15.979 -4.575 1.00 0.00 C ATOM 1566 ND1 HIS A 101 7.815 -15.627 -4.184 1.00 0.00 N ATOM 1567 CD2 HIS A 101 6.341 -17.261 -4.122 1.00 0.00 C ATOM 1568 CE1 HIS A 101 8.342 -16.677 -3.527 1.00 0.00 C ATOM 1569 NE2 HIS A 101 7.485 -17.699 -3.460 1.00 0.00 N ATOM 0 H HIS A 101 3.905 -16.874 -6.162 1.00 0.00 H new ATOM 0 HA HIS A 101 4.150 -15.059 -3.781 1.00 0.00 H new ATOM 0 HB2 HIS A 101 5.710 -15.232 -6.405 1.00 0.00 H new ATOM 0 HB3 HIS A 101 5.962 -14.006 -5.178 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.440 -17.841 -4.258 1.00 0.00 H new ATOM 0 HE1 HIS A 101 9.336 -16.691 -3.106 1.00 0.00 H new ATOM 0 HE2 HIS A 101 7.636 -18.606 -3.019 1.00 0.00 H new ATOM 1577 N GLU A 102 3.648 -13.819 -6.759 1.00 0.00 N ATOM 1578 CA GLU A 102 2.823 -12.844 -7.506 1.00 0.00 C ATOM 1579 C GLU A 102 1.675 -13.556 -8.214 1.00 0.00 C ATOM 1580 O GLU A 102 1.385 -13.281 -9.355 1.00 0.00 O ATOM 1581 CB GLU A 102 3.686 -12.110 -8.525 1.00 0.00 C ATOM 1582 CG GLU A 102 3.403 -10.609 -8.441 1.00 0.00 C ATOM 1583 CD GLU A 102 2.447 -10.207 -9.563 1.00 0.00 C ATOM 1584 OE1 GLU A 102 1.679 -11.053 -9.988 1.00 0.00 O ATOM 1585 OE2 GLU A 102 2.498 -9.060 -9.978 1.00 0.00 O ATOM 0 H GLU A 102 4.481 -14.145 -7.249 1.00 0.00 H new ATOM 0 HA GLU A 102 2.407 -12.123 -6.803 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.741 -12.304 -8.332 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.473 -12.476 -9.529 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.967 -10.364 -7.472 1.00 0.00 H new ATOM 0 HG3 GLU A 102 4.334 -10.048 -8.523 1.00 0.00 H new ATOM 1592 N SER A 103 1.009 -14.458 -7.544 1.00 0.00 N ATOM 1593 CA SER A 103 -0.132 -15.168 -8.188 1.00 0.00 C ATOM 1594 C SER A 103 -1.368 -14.267 -8.127 1.00 0.00 C ATOM 1595 O SER A 103 -1.904 -13.862 -9.141 1.00 0.00 O ATOM 1596 CB SER A 103 -0.407 -16.480 -7.447 1.00 0.00 C ATOM 1597 OG SER A 103 -1.508 -16.305 -6.566 1.00 0.00 O ATOM 0 H SER A 103 1.205 -14.733 -6.582 1.00 0.00 H new ATOM 0 HA SER A 103 0.109 -15.395 -9.227 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.622 -17.275 -8.161 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.476 -16.785 -6.886 1.00 0.00 H new ATOM 0 HG SER A 103 -1.685 -17.145 -6.093 1.00 0.00 H new ATOM 1603 N GLU A 104 -1.813 -13.931 -6.945 1.00 0.00 N ATOM 1604 CA GLU A 104 -2.997 -13.038 -6.827 1.00 0.00 C ATOM 1605 C GLU A 104 -2.632 -11.676 -7.412 1.00 0.00 C ATOM 1606 O GLU A 104 -3.356 -11.112 -8.207 1.00 0.00 O ATOM 1607 CB GLU A 104 -3.376 -12.881 -5.353 1.00 0.00 C ATOM 1608 CG GLU A 104 -4.385 -11.740 -5.204 1.00 0.00 C ATOM 1609 CD GLU A 104 -4.600 -11.441 -3.720 1.00 0.00 C ATOM 1610 OE1 GLU A 104 -3.617 -11.232 -3.028 1.00 0.00 O ATOM 1611 OE2 GLU A 104 -5.745 -11.428 -3.298 1.00 0.00 O ATOM 0 H GLU A 104 -1.408 -14.236 -6.060 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.844 -13.463 -7.366 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.803 -13.810 -4.975 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.487 -12.674 -4.758 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.021 -10.849 -5.717 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.331 -12.013 -5.672 1.00 0.00 H new ATOM 1618 N THR A 105 -1.495 -11.157 -7.036 1.00 0.00 N ATOM 1619 CA THR A 105 -1.055 -9.842 -7.579 1.00 0.00 C ATOM 1620 C THR A 105 -1.186 -9.873 -9.098 1.00 0.00 C ATOM 1621 O THR A 105 -1.703 -8.961 -9.717 1.00 0.00 O ATOM 1622 CB THR A 105 0.412 -9.621 -7.215 1.00 0.00 C ATOM 1623 OG1 THR A 105 0.577 -9.759 -5.810 1.00 0.00 O ATOM 1624 CG2 THR A 105 0.845 -8.219 -7.648 1.00 0.00 C ATOM 0 H THR A 105 -0.850 -11.589 -6.374 1.00 0.00 H new ATOM 0 HA THR A 105 -1.666 -9.041 -7.164 1.00 0.00 H new ATOM 0 HB THR A 105 1.027 -10.361 -7.727 1.00 0.00 H new ATOM 0 HG1 THR A 105 1.518 -9.619 -5.576 1.00 0.00 H new ATOM 0 HG21 THR A 105 1.892 -8.065 -7.387 1.00 0.00 H new ATOM 0 HG22 THR A 105 0.721 -8.117 -8.726 1.00 0.00 H new ATOM 0 HG23 THR A 105 0.231 -7.475 -7.140 1.00 0.00 H new ATOM 1632 N PHE A 106 -0.718 -10.928 -9.701 1.00 0.00 N ATOM 1633 CA PHE A 106 -0.807 -11.045 -11.175 1.00 0.00 C ATOM 1634 C PHE A 106 -2.249 -10.737 -11.569 1.00 0.00 C ATOM 1635 O PHE A 106 -2.530 -9.745 -12.213 1.00 0.00 O ATOM 1636 CB PHE A 106 -0.458 -12.479 -11.566 1.00 0.00 C ATOM 1637 CG PHE A 106 0.470 -12.492 -12.759 1.00 0.00 C ATOM 1638 CD1 PHE A 106 1.525 -11.571 -12.842 1.00 0.00 C ATOM 1639 CD2 PHE A 106 0.286 -13.436 -13.774 1.00 0.00 C ATOM 1640 CE1 PHE A 106 2.390 -11.597 -13.942 1.00 0.00 C ATOM 1641 CE2 PHE A 106 1.152 -13.461 -14.874 1.00 0.00 C ATOM 1642 CZ PHE A 106 2.203 -12.542 -14.958 1.00 0.00 C ATOM 0 H PHE A 106 -0.276 -11.717 -9.230 1.00 0.00 H new ATOM 0 HA PHE A 106 -0.124 -10.359 -11.676 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.014 -12.987 -10.725 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -1.369 -13.030 -11.800 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.670 -10.843 -12.058 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -0.525 -14.146 -13.709 1.00 0.00 H new ATOM 0 HE1 PHE A 106 3.202 -10.888 -14.007 1.00 0.00 H new ATOM 0 HE2 PHE A 106 1.008 -14.190 -15.658 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.870 -12.561 -15.807 1.00 0.00 H new ATOM 1652 N ARG A 107 -3.166 -11.574 -11.152 1.00 0.00 N ATOM 1653 CA ARG A 107 -4.604 -11.338 -11.469 1.00 0.00 C ATOM 1654 C ARG A 107 -4.915 -9.855 -11.277 1.00 0.00 C ATOM 1655 O ARG A 107 -5.702 -9.276 -11.999 1.00 0.00 O ATOM 1656 CB ARG A 107 -5.479 -12.168 -10.525 1.00 0.00 C ATOM 1657 CG ARG A 107 -6.876 -12.324 -11.129 1.00 0.00 C ATOM 1658 CD ARG A 107 -7.802 -11.246 -10.561 1.00 0.00 C ATOM 1659 NE ARG A 107 -7.652 -11.190 -9.080 1.00 0.00 N ATOM 1660 CZ ARG A 107 -7.522 -12.292 -8.394 1.00 0.00 C ATOM 1661 NH1 ARG A 107 -8.400 -13.249 -8.526 1.00 0.00 N ATOM 1662 NH2 ARG A 107 -6.517 -12.437 -7.576 1.00 0.00 N ATOM 0 H ARG A 107 -2.978 -12.413 -10.604 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.808 -11.630 -12.499 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.030 -13.148 -10.363 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.544 -11.682 -9.551 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.826 -12.240 -12.215 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -7.272 -13.314 -10.904 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.560 -10.277 -10.998 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -8.837 -11.465 -10.824 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.651 -10.289 -8.602 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.187 -13.135 -9.165 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.299 -14.111 -7.990 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -5.832 -11.689 -7.472 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -6.416 -13.299 -7.040 1.00 0.00 H new ATOM 1676 N ALA A 108 -4.294 -9.234 -10.312 1.00 0.00 N ATOM 1677 CA ALA A 108 -4.544 -7.785 -10.083 1.00 0.00 C ATOM 1678 C ALA A 108 -4.346 -7.047 -11.404 1.00 0.00 C ATOM 1679 O ALA A 108 -5.233 -6.374 -11.891 1.00 0.00 O ATOM 1680 CB ALA A 108 -3.558 -7.250 -9.041 1.00 0.00 C ATOM 0 H ALA A 108 -3.626 -9.667 -9.674 1.00 0.00 H new ATOM 0 HA ALA A 108 -5.560 -7.633 -9.717 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -3.744 -6.189 -8.876 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -3.689 -7.792 -8.104 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -2.538 -7.388 -9.400 1.00 0.00 H new ATOM 1686 N TYR A 109 -3.192 -7.182 -12.001 1.00 0.00 N ATOM 1687 CA TYR A 109 -2.953 -6.499 -13.303 1.00 0.00 C ATOM 1688 C TYR A 109 -4.033 -6.942 -14.291 1.00 0.00 C ATOM 1689 O TYR A 109 -4.402 -6.216 -15.193 1.00 0.00 O ATOM 1690 CB TYR A 109 -1.573 -6.883 -13.845 1.00 0.00 C ATOM 1691 CG TYR A 109 -0.499 -6.330 -12.939 1.00 0.00 C ATOM 1692 CD1 TYR A 109 -0.020 -5.029 -13.134 1.00 0.00 C ATOM 1693 CD2 TYR A 109 0.020 -7.118 -11.905 1.00 0.00 C ATOM 1694 CE1 TYR A 109 0.978 -4.517 -12.297 1.00 0.00 C ATOM 1695 CE2 TYR A 109 1.019 -6.607 -11.067 1.00 0.00 C ATOM 1696 CZ TYR A 109 1.497 -5.305 -11.263 1.00 0.00 C ATOM 1697 OH TYR A 109 2.481 -4.801 -10.437 1.00 0.00 O ATOM 0 H TYR A 109 -2.410 -7.732 -11.646 1.00 0.00 H new ATOM 0 HA TYR A 109 -2.990 -5.418 -13.167 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -1.486 -7.968 -13.909 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -1.447 -6.493 -14.855 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -0.421 -4.420 -13.931 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -0.350 -8.121 -11.753 1.00 0.00 H new ATOM 0 HE1 TYR A 109 1.348 -3.514 -12.449 1.00 0.00 H new ATOM 0 HE2 TYR A 109 1.420 -7.216 -10.271 1.00 0.00 H new ATOM 0 HH TYR A 109 2.728 -5.477 -9.772 1.00 0.00 H new ATOM 1707 N PHE A 110 -4.550 -8.129 -14.116 1.00 0.00 N ATOM 1708 CA PHE A 110 -5.617 -8.628 -15.029 1.00 0.00 C ATOM 1709 C PHE A 110 -6.976 -8.184 -14.490 1.00 0.00 C ATOM 1710 O PHE A 110 -7.598 -8.867 -13.701 1.00 0.00 O ATOM 1711 CB PHE A 110 -5.576 -10.155 -15.090 1.00 0.00 C ATOM 1712 CG PHE A 110 -4.214 -10.612 -15.547 1.00 0.00 C ATOM 1713 CD1 PHE A 110 -3.913 -10.685 -16.912 1.00 0.00 C ATOM 1714 CD2 PHE A 110 -3.253 -10.969 -14.601 1.00 0.00 C ATOM 1715 CE1 PHE A 110 -2.646 -11.116 -17.325 1.00 0.00 C ATOM 1716 CE2 PHE A 110 -1.988 -11.399 -15.011 1.00 0.00 C ATOM 1717 CZ PHE A 110 -1.684 -11.473 -16.372 1.00 0.00 C ATOM 0 H PHE A 110 -4.277 -8.776 -13.377 1.00 0.00 H new ATOM 0 HA PHE A 110 -5.459 -8.224 -16.029 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.800 -10.573 -14.109 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -6.341 -10.521 -15.774 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -4.656 -10.409 -17.645 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -3.487 -10.913 -13.548 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -2.411 -11.173 -18.378 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.246 -11.674 -14.276 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.707 -11.806 -16.690 1.00 0.00 H new ATOM 1727 N LYS A 111 -7.434 -7.040 -14.905 1.00 0.00 N ATOM 1728 CA LYS A 111 -8.748 -6.536 -14.415 1.00 0.00 C ATOM 1729 C LYS A 111 -9.887 -7.321 -15.074 1.00 0.00 C ATOM 1730 O LYS A 111 -11.048 -7.076 -14.817 1.00 0.00 O ATOM 1731 CB LYS A 111 -8.884 -5.053 -14.765 1.00 0.00 C ATOM 1732 CG LYS A 111 -7.650 -4.296 -14.270 1.00 0.00 C ATOM 1733 CD LYS A 111 -7.658 -4.250 -12.740 1.00 0.00 C ATOM 1734 CE LYS A 111 -9.012 -3.734 -12.251 1.00 0.00 C ATOM 1735 NZ LYS A 111 -9.399 -2.531 -13.040 1.00 0.00 N ATOM 0 H LYS A 111 -6.955 -6.428 -15.565 1.00 0.00 H new ATOM 0 HA LYS A 111 -8.802 -6.666 -13.334 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -8.990 -4.931 -15.843 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -9.784 -4.642 -14.308 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.743 -4.786 -14.625 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.645 -3.284 -14.675 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -7.468 -5.244 -12.335 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -6.859 -3.601 -12.381 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -9.769 -4.511 -12.357 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -8.957 -3.485 -11.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -10.009 -1.918 -12.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -8.544 -2.007 -13.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -9.914 -2.827 -13.894 1.00 0.00 H new ATOM 1749 N GLN A 112 -9.568 -8.260 -15.921 1.00 0.00 N ATOM 1750 CA GLN A 112 -10.639 -9.052 -16.590 1.00 0.00 C ATOM 1751 C GLN A 112 -10.852 -10.367 -15.836 1.00 0.00 C ATOM 1752 O GLN A 112 -11.712 -10.474 -14.984 1.00 0.00 O ATOM 1753 CB GLN A 112 -10.224 -9.350 -18.033 1.00 0.00 C ATOM 1754 CG GLN A 112 -11.259 -10.269 -18.686 1.00 0.00 C ATOM 1755 CD GLN A 112 -10.604 -11.039 -19.835 1.00 0.00 C ATOM 1756 OE1 GLN A 112 -10.204 -10.455 -20.822 1.00 0.00 O ATOM 1757 NE2 GLN A 112 -10.477 -12.334 -19.746 1.00 0.00 N ATOM 0 H GLN A 112 -8.614 -8.513 -16.179 1.00 0.00 H new ATOM 0 HA GLN A 112 -11.568 -8.481 -16.589 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -10.140 -8.421 -18.597 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -9.242 -9.822 -18.049 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -11.659 -10.965 -17.949 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -12.098 -9.682 -19.059 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -10.813 -12.824 -18.917 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -10.041 -12.857 -20.506 1.00 0.00 H new ATOM 1766 N GLY A 113 -10.077 -11.370 -16.146 1.00 0.00 N ATOM 1767 CA GLY A 113 -10.232 -12.679 -15.452 1.00 0.00 C ATOM 1768 C GLY A 113 -8.988 -13.531 -15.703 1.00 0.00 C ATOM 1769 O GLY A 113 -8.621 -13.789 -16.832 1.00 0.00 O ATOM 0 H GLY A 113 -9.341 -11.339 -16.852 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -10.371 -12.523 -14.382 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -11.120 -13.195 -15.817 1.00 0.00 H new ATOM 1773 N LEU A 114 -8.330 -13.961 -14.664 1.00 0.00 N ATOM 1774 CA LEU A 114 -7.102 -14.784 -14.854 1.00 0.00 C ATOM 1775 C LEU A 114 -7.462 -16.272 -14.856 1.00 0.00 C ATOM 1776 O LEU A 114 -8.340 -16.715 -14.141 1.00 0.00 O ATOM 1777 CB LEU A 114 -6.118 -14.523 -13.705 1.00 0.00 C ATOM 1778 CG LEU A 114 -5.046 -13.500 -14.107 1.00 0.00 C ATOM 1779 CD1 LEU A 114 -3.852 -13.637 -13.164 1.00 0.00 C ATOM 1780 CD2 LEU A 114 -4.570 -13.753 -15.539 1.00 0.00 C ATOM 0 H LEU A 114 -8.587 -13.780 -13.694 1.00 0.00 H new ATOM 0 HA LEU A 114 -6.647 -14.512 -15.806 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -6.662 -14.159 -12.834 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -5.640 -15.458 -13.414 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.474 -12.500 -14.045 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -3.085 -12.914 -13.441 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.174 -13.449 -12.140 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.444 -14.645 -13.237 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -3.811 -13.018 -15.805 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.146 -14.755 -15.610 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.414 -13.667 -16.223 1.00 0.00 H new ATOM 1792 N ILE A 115 -6.767 -17.044 -15.642 1.00 0.00 N ATOM 1793 CA ILE A 115 -7.026 -18.510 -15.690 1.00 0.00 C ATOM 1794 C ILE A 115 -5.677 -19.222 -15.790 1.00 0.00 C ATOM 1795 O ILE A 115 -4.655 -18.603 -16.012 1.00 0.00 O ATOM 1796 CB ILE A 115 -7.920 -18.844 -16.907 1.00 0.00 C ATOM 1797 CG1 ILE A 115 -9.330 -19.190 -16.403 1.00 0.00 C ATOM 1798 CG2 ILE A 115 -7.347 -20.034 -17.703 1.00 0.00 C ATOM 1799 CD1 ILE A 115 -10.047 -20.099 -17.409 1.00 0.00 C ATOM 0 H ILE A 115 -6.023 -16.719 -16.260 1.00 0.00 H new ATOM 0 HA ILE A 115 -7.549 -18.841 -14.793 1.00 0.00 H new ATOM 0 HB ILE A 115 -7.956 -17.979 -17.570 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -9.266 -19.687 -15.435 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -9.905 -18.276 -16.254 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -7.994 -20.248 -18.553 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -6.348 -19.785 -18.061 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -7.293 -20.911 -17.058 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -11.044 -20.336 -17.039 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -10.128 -19.588 -18.368 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -9.479 -21.021 -17.536 1.00 0.00 H new ATOM 1811 N TYR A 116 -5.657 -20.515 -15.641 1.00 0.00 N ATOM 1812 CA TYR A 116 -4.364 -21.235 -15.745 1.00 0.00 C ATOM 1813 C TYR A 116 -4.583 -22.626 -16.334 1.00 0.00 C ATOM 1814 O TYR A 116 -5.535 -23.310 -16.013 1.00 0.00 O ATOM 1815 CB TYR A 116 -3.723 -21.354 -14.363 1.00 0.00 C ATOM 1816 CG TYR A 116 -4.059 -20.136 -13.537 1.00 0.00 C ATOM 1817 CD1 TYR A 116 -5.230 -20.110 -12.770 1.00 0.00 C ATOM 1818 CD2 TYR A 116 -3.197 -19.034 -13.536 1.00 0.00 C ATOM 1819 CE1 TYR A 116 -5.538 -18.980 -12.003 1.00 0.00 C ATOM 1820 CE2 TYR A 116 -3.504 -17.903 -12.769 1.00 0.00 C ATOM 1821 CZ TYR A 116 -4.675 -17.877 -12.002 1.00 0.00 C ATOM 1822 OH TYR A 116 -4.979 -16.764 -11.246 1.00 0.00 O ATOM 0 H TYR A 116 -6.472 -21.098 -15.454 1.00 0.00 H new ATOM 0 HA TYR A 116 -3.700 -20.673 -16.402 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -4.080 -22.254 -13.863 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -2.642 -21.452 -14.461 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -5.895 -20.961 -12.770 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -2.294 -19.055 -14.127 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -6.442 -18.959 -11.412 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -2.839 -17.052 -12.769 1.00 0.00 H new ATOM 0 HH TYR A 116 -4.276 -16.091 -11.358 1.00 0.00 H new ATOM 1832 N LYS A 117 -3.703 -23.046 -17.200 1.00 0.00 N ATOM 1833 CA LYS A 117 -3.844 -24.390 -17.823 1.00 0.00 C ATOM 1834 C LYS A 117 -2.675 -25.280 -17.376 1.00 0.00 C ATOM 1835 O LYS A 117 -1.943 -24.942 -16.467 1.00 0.00 O ATOM 1836 CB LYS A 117 -3.833 -24.238 -19.345 1.00 0.00 C ATOM 1837 CG LYS A 117 -5.264 -24.296 -19.882 1.00 0.00 C ATOM 1838 CD LYS A 117 -6.174 -23.412 -19.026 1.00 0.00 C ATOM 1839 CE LYS A 117 -7.526 -23.244 -19.723 1.00 0.00 C ATOM 1840 NZ LYS A 117 -8.017 -24.574 -20.180 1.00 0.00 N ATOM 0 H LYS A 117 -2.888 -22.513 -17.504 1.00 0.00 H new ATOM 0 HA LYS A 117 -4.782 -24.850 -17.513 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -3.369 -23.291 -19.622 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -3.234 -25.030 -19.794 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -5.287 -23.961 -20.919 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -5.625 -25.324 -19.871 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -6.313 -23.860 -18.042 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -5.710 -22.438 -18.870 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -8.246 -22.794 -19.040 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -7.428 -22.569 -20.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -9.046 -24.534 -20.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -7.553 -24.826 -21.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -7.794 -25.292 -19.461 1.00 0.00 H new ATOM 1854 N GLN A 118 -2.496 -26.415 -17.998 1.00 0.00 N ATOM 1855 CA GLN A 118 -1.377 -27.321 -17.592 1.00 0.00 C ATOM 1856 C GLN A 118 -0.114 -27.011 -18.400 1.00 0.00 C ATOM 1857 O GLN A 118 -0.163 -26.363 -19.426 1.00 0.00 O ATOM 1858 CB GLN A 118 -1.791 -28.775 -17.830 1.00 0.00 C ATOM 1859 CG GLN A 118 -2.327 -28.926 -19.255 1.00 0.00 C ATOM 1860 CD GLN A 118 -3.854 -28.854 -19.236 1.00 0.00 C ATOM 1861 OE1 GLN A 118 -4.504 -29.636 -18.571 1.00 0.00 O ATOM 1862 NE2 GLN A 118 -4.461 -27.941 -19.945 1.00 0.00 N ATOM 0 H GLN A 118 -3.073 -26.755 -18.767 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.163 -27.164 -16.535 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -0.938 -29.437 -17.679 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -2.554 -29.070 -17.110 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -1.923 -28.139 -19.892 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -2.002 -29.877 -19.678 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -3.917 -27.284 -20.504 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -5.479 -27.885 -19.940 1.00 0.00 H new ATOM 1871 N GLY A 119 1.020 -27.477 -17.940 1.00 0.00 N ATOM 1872 CA GLY A 119 2.298 -27.218 -18.670 1.00 0.00 C ATOM 1873 C GLY A 119 2.596 -28.377 -19.625 1.00 0.00 C ATOM 1874 O GLY A 119 1.859 -29.341 -19.693 1.00 0.00 O ATOM 0 H GLY A 119 1.116 -28.028 -17.087 1.00 0.00 H new ATOM 0 HA2 GLY A 119 2.225 -26.285 -19.228 1.00 0.00 H new ATOM 0 HA3 GLY A 119 3.116 -27.101 -17.959 1.00 0.00 H new ATOM 1878 N GLY A 120 3.673 -28.295 -20.365 1.00 0.00 N ATOM 1879 CA GLY A 120 4.011 -29.396 -21.310 1.00 0.00 C ATOM 1880 C GLY A 120 3.501 -29.052 -22.711 1.00 0.00 C ATOM 1881 O GLY A 120 2.798 -29.825 -23.332 1.00 0.00 O ATOM 0 H GLY A 120 4.330 -27.514 -20.354 1.00 0.00 H new ATOM 0 HA2 GLY A 120 5.090 -29.549 -21.333 1.00 0.00 H new ATOM 0 HA3 GLY A 120 3.564 -30.330 -20.969 1.00 0.00 H new ATOM 1885 N VAL A 121 3.848 -27.900 -23.217 1.00 0.00 N ATOM 1886 CA VAL A 121 3.384 -27.514 -24.579 1.00 0.00 C ATOM 1887 C VAL A 121 4.411 -27.993 -25.614 1.00 0.00 C ATOM 1888 O VAL A 121 4.348 -27.659 -26.780 1.00 0.00 O ATOM 1889 CB VAL A 121 3.188 -25.980 -24.623 1.00 0.00 C ATOM 1890 CG1 VAL A 121 3.830 -25.360 -25.872 1.00 0.00 C ATOM 1891 CG2 VAL A 121 1.691 -25.668 -24.629 1.00 0.00 C ATOM 0 H VAL A 121 4.433 -27.210 -22.746 1.00 0.00 H new ATOM 0 HA VAL A 121 2.429 -27.984 -24.815 1.00 0.00 H new ATOM 0 HB VAL A 121 3.671 -25.553 -23.744 1.00 0.00 H new ATOM 0 HG11 VAL A 121 3.671 -24.282 -25.866 1.00 0.00 H new ATOM 0 HG12 VAL A 121 4.900 -25.569 -25.873 1.00 0.00 H new ATOM 0 HG13 VAL A 121 3.376 -25.789 -26.765 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.544 -24.588 -24.660 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.228 -26.122 -25.505 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.232 -26.071 -23.726 1.00 0.00 H new ATOM 1901 N ALA A 122 5.347 -28.789 -25.192 1.00 0.00 N ATOM 1902 CA ALA A 122 6.375 -29.303 -26.138 1.00 0.00 C ATOM 1903 C ALA A 122 5.893 -30.621 -26.749 1.00 0.00 C ATOM 1904 O ALA A 122 6.319 -31.014 -27.816 1.00 0.00 O ATOM 1905 CB ALA A 122 7.687 -29.536 -25.388 1.00 0.00 C ATOM 0 H ALA A 122 5.447 -29.109 -24.229 1.00 0.00 H new ATOM 0 HA ALA A 122 6.536 -28.573 -26.932 1.00 0.00 H new ATOM 0 HB1 ALA A 122 8.440 -29.912 -26.080 1.00 0.00 H new ATOM 0 HB2 ALA A 122 8.030 -28.597 -24.954 1.00 0.00 H new ATOM 0 HB3 ALA A 122 7.528 -30.265 -24.594 1.00 0.00 H new ATOM 1911 N SER A 123 5.007 -31.305 -26.079 1.00 0.00 N ATOM 1912 CA SER A 123 4.498 -32.596 -26.620 1.00 0.00 C ATOM 1913 C SER A 123 2.983 -32.505 -26.819 1.00 0.00 C ATOM 1914 O SER A 123 2.271 -33.480 -26.688 1.00 0.00 O ATOM 1915 CB SER A 123 4.815 -33.722 -25.635 1.00 0.00 C ATOM 1916 OG SER A 123 4.046 -33.542 -24.454 1.00 0.00 O ATOM 0 H SER A 123 4.614 -31.026 -25.180 1.00 0.00 H new ATOM 0 HA SER A 123 4.978 -32.803 -27.576 1.00 0.00 H new ATOM 0 HB2 SER A 123 4.590 -34.689 -26.085 1.00 0.00 H new ATOM 0 HB3 SER A 123 5.878 -33.722 -25.394 1.00 0.00 H new ATOM 0 HG SER A 123 4.245 -34.263 -23.821 1.00 0.00 H new ATOM 1922 N GLY A 124 2.488 -31.340 -27.136 1.00 0.00 N ATOM 1923 CA GLY A 124 1.020 -31.187 -27.344 1.00 0.00 C ATOM 1924 C GLY A 124 0.691 -31.365 -28.827 1.00 0.00 C ATOM 1925 O GLY A 124 0.262 -32.418 -29.255 1.00 0.00 O ATOM 0 H GLY A 124 3.036 -30.488 -27.260 1.00 0.00 H new ATOM 0 HA2 GLY A 124 0.480 -31.924 -26.750 1.00 0.00 H new ATOM 0 HA3 GLY A 124 0.695 -30.204 -27.004 1.00 0.00 H new ATOM 1929 N MET A 125 0.889 -30.344 -29.615 1.00 0.00 N ATOM 1930 CA MET A 125 0.587 -30.456 -31.069 1.00 0.00 C ATOM 1931 C MET A 125 1.784 -31.074 -31.792 1.00 0.00 C ATOM 1932 O MET A 125 2.924 -30.831 -31.447 1.00 0.00 O ATOM 1933 CB MET A 125 0.308 -29.064 -31.641 1.00 0.00 C ATOM 1934 CG MET A 125 -0.778 -28.379 -30.811 1.00 0.00 C ATOM 1935 SD MET A 125 -1.778 -27.318 -31.883 1.00 0.00 S ATOM 1936 CE MET A 125 -3.365 -27.594 -31.059 1.00 0.00 C ATOM 0 H MET A 125 1.247 -29.437 -29.314 1.00 0.00 H new ATOM 0 HA MET A 125 -0.289 -31.089 -31.210 1.00 0.00 H new ATOM 0 HB2 MET A 125 1.219 -28.466 -31.631 1.00 0.00 H new ATOM 0 HB3 MET A 125 -0.010 -29.144 -32.681 1.00 0.00 H new ATOM 0 HG2 MET A 125 -1.409 -29.127 -30.330 1.00 0.00 H new ATOM 0 HG3 MET A 125 -0.324 -27.787 -30.016 1.00 0.00 H new ATOM 0 HE1 MET A 125 -4.142 -27.022 -31.566 1.00 0.00 H new ATOM 0 HE2 MET A 125 -3.613 -28.655 -31.094 1.00 0.00 H new ATOM 0 HE3 MET A 125 -3.297 -27.271 -30.020 1.00 0.00 H new ATOM 1946 N LYS A 126 1.537 -31.872 -32.796 1.00 0.00 N ATOM 1947 CA LYS A 126 2.662 -32.505 -33.539 1.00 0.00 C ATOM 1948 C LYS A 126 3.613 -33.181 -32.548 1.00 0.00 C ATOM 1949 O LYS A 126 4.757 -32.762 -32.475 1.00 0.00 O ATOM 1950 CB LYS A 126 3.422 -31.432 -34.324 1.00 0.00 C ATOM 1951 CG LYS A 126 2.431 -30.407 -34.878 1.00 0.00 C ATOM 1952 CD LYS A 126 1.332 -31.131 -35.660 1.00 0.00 C ATOM 1953 CE LYS A 126 1.177 -30.485 -37.039 1.00 0.00 C ATOM 1954 NZ LYS A 126 -0.166 -30.816 -37.594 1.00 0.00 N ATOM 1955 OXT LYS A 126 3.180 -34.105 -31.880 1.00 0.00 O ATOM 0 H LYS A 126 0.605 -32.112 -33.133 1.00 0.00 H new ATOM 0 HA LYS A 126 2.267 -33.250 -34.229 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.148 -30.939 -33.677 1.00 0.00 H new ATOM 0 HB3 LYS A 126 3.981 -31.891 -35.140 1.00 0.00 H new ATOM 0 HG2 LYS A 126 1.993 -29.831 -34.063 1.00 0.00 H new ATOM 0 HG3 LYS A 126 2.948 -29.699 -35.526 1.00 0.00 H new ATOM 0 HD2 LYS A 126 1.582 -32.186 -35.767 1.00 0.00 H new ATOM 0 HD3 LYS A 126 0.389 -31.081 -35.115 1.00 0.00 H new ATOM 0 HE2 LYS A 126 1.294 -29.404 -36.961 1.00 0.00 H new ATOM 0 HE3 LYS A 126 1.958 -30.843 -37.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -0.272 -30.377 -38.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -0.261 -31.848 -37.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -0.904 -30.454 -36.957 1.00 0.00 H new TER 1969 LYS A 126