USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 877 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 Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.3!) USER MOD Single : A 11 CYS SG : rot -70:sc= -0.567 USER MOD Single : A 16 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.18) USER MOD Single : A 19 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0214) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 55:sc= 0.31 USER MOD Single : A 25 LYS NZ :NH3+ -165:sc= -0.167 (180deg=-0.571) USER MOD Single : A 30 LYS NZ :NH3+ -144:sc= -0.503 (180deg=-2.4!) USER MOD Single : A 33 ASN : amide:sc= -0.185 K(o=-0.19,f=1.2) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.593 USER MOD Single : A 35 LYS NZ :NH3+ 167:sc= -0.0504 (180deg=-0.236) USER MOD Single : A 40 LYS NZ :NH3+ -120:sc= -1.18 (180deg=-4.11!) USER MOD Single : A 43 LYS NZ :NH3+ 156:sc= -0.988 (180deg=-2.84!) USER MOD Single : A 45 ASN : amide:sc= 0.293 K(o=0.29,f=-3.7!) USER MOD Single : A 56 ASN : amide:sc= -1.6 K(o=-1.6,f=-2.3) USER MOD Single : A 58 CYS SG : rot 180:sc= -1.03 USER MOD Single : A 63 TYR OH : rot 117:sc= 0.489 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 68 LYS NZ :NH3+ 173:sc= -0.0269 (180deg=-0.0712) USER MOD Single : A 70 GLN : amide:sc=-0.00315 K(o=-0.0032,f=-2!) USER MOD Single : A 75 CYS SG : rot 180:sc= -0.0528 USER MOD Single : A 78 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.14) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -81:sc= -1.13! USER MOD Single : A 87 TYR OH : rot 153:sc= 0.0841 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 140:sc= -0.948 USER MOD Single : A 91 LYS NZ :NH3+ 159:sc= -1.12 (180deg=-1.92!) USER MOD Single : A 96 LYS NZ :NH3+ 154:sc= -1.31 (180deg=-2.59!) USER MOD Single : A 97 LYS NZ :NH3+ 163:sc= -0.0274 (180deg=-0.255) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.409 USER MOD Single : A 109 HIS : no HD1:sc= -0.888 X(o=-0.89,f=-1.1) USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 2.549 -1.396 -1.549 1.00 51.21 N ATOM 19 CA ALA A 2 3.498 -2.497 -1.443 1.00 1.34 C ATOM 20 C ALA A 2 3.429 -3.150 -0.067 1.00 34.44 C ATOM 21 O ALA A 2 3.553 -2.478 0.957 1.00 30.52 O ATOM 22 CB ALA A 2 4.910 -2.005 -1.725 1.00 22.31 C ATOM 0 HA ALA A 2 3.231 -3.248 -2.187 1.00 1.34 H new ATOM 0 HB1 ALA A 2 5.609 -2.838 -1.642 1.00 22.31 H new ATOM 0 HB2 ALA A 2 4.957 -1.591 -2.732 1.00 22.31 H new ATOM 0 HB3 ALA A 2 5.178 -1.234 -1.003 1.00 22.31 H new ATOM 28 N SER A 3 3.229 -4.464 -0.050 1.00 75.31 N ATOM 29 CA SER A 3 3.138 -5.208 1.201 1.00 71.12 C ATOM 30 C SER A 3 1.941 -4.742 2.024 1.00 32.42 C ATOM 31 O SER A 3 1.400 -3.661 1.797 1.00 10.03 O ATOM 32 CB SER A 3 4.425 -5.042 2.012 1.00 75.22 C ATOM 33 OG SER A 3 5.220 -6.213 1.951 1.00 63.12 O ATOM 0 H SER A 3 3.127 -5.035 -0.889 1.00 75.31 H new ATOM 0 HA SER A 3 3.002 -6.262 0.960 1.00 71.12 H new ATOM 0 HB2 SER A 3 4.992 -4.193 1.630 1.00 75.22 H new ATOM 0 HB3 SER A 3 4.178 -4.820 3.050 1.00 75.22 H new ATOM 0 HG SER A 3 6.037 -6.081 2.475 1.00 63.12 H new ATOM 39 N GLY A 4 1.532 -5.569 2.982 1.00 0.34 N ATOM 40 CA GLY A 4 0.402 -5.225 3.826 1.00 72.44 C ATOM 41 C GLY A 4 -0.794 -4.748 3.026 1.00 11.10 C ATOM 42 O GLY A 4 -1.425 -3.751 3.376 1.00 44.33 O ATOM 0 H GLY A 4 1.963 -6.470 3.188 1.00 0.34 H new ATOM 0 HA2 GLY A 4 0.116 -6.095 4.418 1.00 72.44 H new ATOM 0 HA3 GLY A 4 0.700 -4.446 4.528 1.00 72.44 H new ATOM 46 N MET A 5 -1.106 -5.461 1.948 1.00 12.55 N ATOM 47 CA MET A 5 -2.235 -5.103 1.097 1.00 44.12 C ATOM 48 C MET A 5 -3.496 -4.889 1.927 1.00 33.41 C ATOM 49 O MET A 5 -3.678 -5.516 2.970 1.00 3.33 O ATOM 50 CB MET A 5 -2.477 -6.192 0.051 1.00 61.55 C ATOM 51 CG MET A 5 -2.458 -7.600 0.624 1.00 71.24 C ATOM 52 SD MET A 5 -1.147 -8.619 -0.079 1.00 43.20 S ATOM 53 CE MET A 5 -0.411 -9.296 1.407 1.00 20.00 C ATOM 0 H MET A 5 -0.594 -6.289 1.644 1.00 12.55 H new ATOM 0 HA MET A 5 -1.994 -4.169 0.590 1.00 44.12 H new ATOM 0 HB2 MET A 5 -3.440 -6.017 -0.428 1.00 61.55 H new ATOM 0 HB3 MET A 5 -1.716 -6.114 -0.725 1.00 61.55 H new ATOM 0 HG2 MET A 5 -2.331 -7.546 1.705 1.00 71.24 H new ATOM 0 HG3 MET A 5 -3.421 -8.076 0.440 1.00 71.24 H new ATOM 0 HE1 MET A 5 0.418 -9.950 1.137 1.00 20.00 H new ATOM 0 HE2 MET A 5 -0.043 -8.483 2.033 1.00 20.00 H new ATOM 0 HE3 MET A 5 -1.160 -9.867 1.956 1.00 20.00 H new ATOM 63 N GLY A 6 -4.366 -4.000 1.457 1.00 61.33 N ATOM 64 CA GLY A 6 -5.599 -3.720 2.169 1.00 70.22 C ATOM 65 C GLY A 6 -6.830 -4.084 1.362 1.00 22.13 C ATOM 66 O GLY A 6 -7.338 -3.271 0.590 1.00 65.13 O ATOM 0 H GLY A 6 -4.239 -3.469 0.596 1.00 61.33 H new ATOM 0 HA2 GLY A 6 -5.607 -4.274 3.108 1.00 70.22 H new ATOM 0 HA3 GLY A 6 -5.635 -2.661 2.424 1.00 70.22 H new ATOM 70 N VAL A 7 -7.311 -5.311 1.540 1.00 3.50 N ATOM 71 CA VAL A 7 -8.489 -5.781 0.822 1.00 13.02 C ATOM 72 C VAL A 7 -9.758 -5.132 1.364 1.00 40.45 C ATOM 73 O VAL A 7 -10.168 -5.394 2.494 1.00 10.23 O ATOM 74 CB VAL A 7 -8.629 -7.312 0.916 1.00 74.03 C ATOM 75 CG1 VAL A 7 -7.529 -7.999 0.122 1.00 44.44 C ATOM 76 CG2 VAL A 7 -8.609 -7.761 2.369 1.00 1.31 C ATOM 0 H VAL A 7 -6.903 -5.997 2.175 1.00 3.50 H new ATOM 0 HA VAL A 7 -8.357 -5.498 -0.222 1.00 13.02 H new ATOM 0 HB VAL A 7 -9.588 -7.598 0.485 1.00 74.03 H new ATOM 0 HG11 VAL A 7 -7.645 -9.080 0.200 1.00 44.44 H new ATOM 0 HG12 VAL A 7 -7.596 -7.702 -0.925 1.00 44.44 H new ATOM 0 HG13 VAL A 7 -6.557 -7.708 0.520 1.00 44.44 H new ATOM 0 HG21 VAL A 7 -8.709 -8.845 2.416 1.00 1.31 H new ATOM 0 HG22 VAL A 7 -7.667 -7.463 2.829 1.00 1.31 H new ATOM 0 HG23 VAL A 7 -9.437 -7.297 2.905 1.00 1.31 H new ATOM 86 N ASP A 8 -10.376 -4.283 0.549 1.00 65.43 N ATOM 87 CA ASP A 8 -11.600 -3.597 0.945 1.00 44.32 C ATOM 88 C ASP A 8 -12.817 -4.226 0.274 1.00 2.31 C ATOM 89 O ASP A 8 -12.683 -5.016 -0.659 1.00 71.23 O ATOM 90 CB ASP A 8 -11.515 -2.112 0.587 1.00 12.04 C ATOM 91 CG ASP A 8 -12.269 -1.236 1.569 1.00 30.40 C ATOM 92 OD1 ASP A 8 -12.209 -1.519 2.784 1.00 4.12 O ATOM 93 OD2 ASP A 8 -12.919 -0.268 1.122 1.00 23.33 O ATOM 0 H ASP A 8 -10.049 -4.054 -0.390 1.00 65.43 H new ATOM 0 HA ASP A 8 -11.711 -3.697 2.025 1.00 44.32 H new ATOM 0 HB2 ASP A 8 -10.469 -1.807 0.561 1.00 12.04 H new ATOM 0 HB3 ASP A 8 -11.917 -1.959 -0.415 1.00 12.04 H new ATOM 98 N GLU A 9 -14.003 -3.869 0.758 1.00 62.52 N ATOM 99 CA GLU A 9 -15.243 -4.401 0.206 1.00 72.24 C ATOM 100 C GLU A 9 -15.441 -3.937 -1.235 1.00 2.14 C ATOM 101 O GLU A 9 -16.283 -4.466 -1.958 1.00 61.34 O ATOM 102 CB GLU A 9 -16.435 -3.967 1.061 1.00 75.50 C ATOM 103 CG GLU A 9 -16.357 -4.445 2.501 1.00 31.22 C ATOM 104 CD GLU A 9 -17.489 -5.386 2.866 1.00 1.02 C ATOM 105 OE1 GLU A 9 -17.732 -6.344 2.103 1.00 33.42 O ATOM 106 OE2 GLU A 9 -18.131 -5.164 3.914 1.00 72.22 O ATOM 0 H GLU A 9 -14.131 -3.215 1.530 1.00 62.52 H new ATOM 0 HA GLU A 9 -15.176 -5.489 0.213 1.00 72.24 H new ATOM 0 HB2 GLU A 9 -16.501 -2.879 1.051 1.00 75.50 H new ATOM 0 HB3 GLU A 9 -17.352 -4.346 0.610 1.00 75.50 H new ATOM 0 HG2 GLU A 9 -15.404 -4.950 2.661 1.00 31.22 H new ATOM 0 HG3 GLU A 9 -16.377 -3.583 3.168 1.00 31.22 H new ATOM 113 N ASN A 10 -14.658 -2.943 -1.642 1.00 61.34 N ATOM 114 CA ASN A 10 -14.747 -2.406 -2.995 1.00 61.13 C ATOM 115 C ASN A 10 -14.167 -3.387 -4.009 1.00 64.14 C ATOM 116 O ASN A 10 -14.767 -3.644 -5.054 1.00 1.22 O ATOM 117 CB ASN A 10 -14.011 -1.068 -3.084 1.00 44.15 C ATOM 118 CG ASN A 10 -14.817 0.076 -2.500 1.00 21.33 C ATOM 119 OD1 ASN A 10 -14.328 0.826 -1.655 1.00 12.02 O ATOM 120 ND2 ASN A 10 -16.059 0.213 -2.948 1.00 52.40 N ATOM 0 H ASN A 10 -13.955 -2.494 -1.055 1.00 61.34 H new ATOM 0 HA ASN A 10 -15.800 -2.250 -3.229 1.00 61.13 H new ATOM 0 HB2 ASN A 10 -13.060 -1.144 -2.558 1.00 44.15 H new ATOM 0 HB3 ASN A 10 -13.782 -0.852 -4.127 1.00 44.15 H new ATOM 0 HD21 ASN A 10 -16.650 0.964 -2.591 1.00 52.40 H new ATOM 0 HD22 ASN A 10 -16.422 -0.432 -3.649 1.00 52.40 H new ATOM 127 N CYS A 11 -12.997 -3.932 -3.694 1.00 70.33 N ATOM 128 CA CYS A 11 -12.335 -4.885 -4.578 1.00 22.42 C ATOM 129 C CYS A 11 -13.275 -6.027 -4.949 1.00 35.35 C ATOM 130 O CYS A 11 -13.156 -6.622 -6.020 1.00 4.40 O ATOM 131 CB CYS A 11 -11.076 -5.442 -3.911 1.00 11.44 C ATOM 132 SG CYS A 11 -11.395 -6.764 -2.719 1.00 41.13 S ATOM 0 H CYS A 11 -12.488 -3.730 -2.834 1.00 70.33 H new ATOM 0 HA CYS A 11 -12.053 -4.360 -5.490 1.00 22.42 H new ATOM 0 HB2 CYS A 11 -10.405 -5.818 -4.683 1.00 11.44 H new ATOM 0 HB3 CYS A 11 -10.556 -4.629 -3.405 1.00 11.44 H new ATOM 0 HG CYS A 11 -11.978 -6.269 -1.668 1.00 41.13 H new ATOM 138 N VAL A 12 -14.211 -6.330 -4.054 1.00 71.52 N ATOM 139 CA VAL A 12 -15.172 -7.402 -4.287 1.00 14.23 C ATOM 140 C VAL A 12 -16.392 -6.891 -5.045 1.00 12.31 C ATOM 141 O VAL A 12 -16.948 -7.590 -5.891 1.00 20.51 O ATOM 142 CB VAL A 12 -15.634 -8.038 -2.962 1.00 73.54 C ATOM 143 CG1 VAL A 12 -16.677 -9.115 -3.222 1.00 53.34 C ATOM 144 CG2 VAL A 12 -14.446 -8.609 -2.203 1.00 1.41 C ATOM 0 H VAL A 12 -14.324 -5.849 -3.162 1.00 71.52 H new ATOM 0 HA VAL A 12 -14.665 -8.157 -4.887 1.00 14.23 H new ATOM 0 HB VAL A 12 -16.091 -7.263 -2.347 1.00 73.54 H new ATOM 0 HG11 VAL A 12 -16.992 -9.553 -2.275 1.00 53.34 H new ATOM 0 HG12 VAL A 12 -17.539 -8.673 -3.722 1.00 53.34 H new ATOM 0 HG13 VAL A 12 -16.248 -9.891 -3.856 1.00 53.34 H new ATOM 0 HG21 VAL A 12 -14.790 -9.054 -1.270 1.00 1.41 H new ATOM 0 HG22 VAL A 12 -13.958 -9.371 -2.811 1.00 1.41 H new ATOM 0 HG23 VAL A 12 -13.736 -7.811 -1.984 1.00 1.41 H new ATOM 154 N ALA A 13 -16.803 -5.665 -4.736 1.00 34.21 N ATOM 155 CA ALA A 13 -17.956 -5.059 -5.390 1.00 13.31 C ATOM 156 C ALA A 13 -17.765 -5.006 -6.902 1.00 1.01 C ATOM 157 O ALA A 13 -18.727 -5.111 -7.663 1.00 21.32 O ATOM 158 CB ALA A 13 -18.202 -3.662 -4.838 1.00 60.30 C ATOM 0 H ALA A 13 -16.355 -5.073 -4.037 1.00 34.21 H new ATOM 0 HA ALA A 13 -18.828 -5.679 -5.182 1.00 13.31 H new ATOM 0 HB1 ALA A 13 -19.066 -3.221 -5.335 1.00 60.30 H new ATOM 0 HB2 ALA A 13 -18.392 -3.722 -3.766 1.00 60.30 H new ATOM 0 HB3 ALA A 13 -17.324 -3.041 -5.016 1.00 60.30 H new ATOM 164 N ARG A 14 -16.518 -4.842 -7.330 1.00 44.44 N ATOM 165 CA ARG A 14 -16.201 -4.773 -8.752 1.00 0.12 C ATOM 166 C ARG A 14 -15.983 -6.169 -9.328 1.00 42.33 C ATOM 167 O ARG A 14 -16.380 -6.454 -10.458 1.00 60.31 O ATOM 168 CB ARG A 14 -14.954 -3.916 -8.977 1.00 52.45 C ATOM 169 CG ARG A 14 -13.783 -4.297 -8.087 1.00 32.51 C ATOM 170 CD ARG A 14 -12.492 -4.409 -8.882 1.00 61.42 C ATOM 171 NE ARG A 14 -11.373 -4.846 -8.051 1.00 12.32 N ATOM 172 CZ ARG A 14 -11.069 -6.121 -7.839 1.00 24.21 C ATOM 173 NH1 ARG A 14 -11.795 -7.081 -8.395 1.00 11.21 N ATOM 174 NH2 ARG A 14 -10.035 -6.439 -7.070 1.00 10.21 N ATOM 0 H ARG A 14 -15.711 -4.754 -6.713 1.00 44.44 H new ATOM 0 HA ARG A 14 -17.046 -4.314 -9.266 1.00 0.12 H new ATOM 0 HB2 ARG A 14 -14.649 -4.001 -10.020 1.00 52.45 H new ATOM 0 HB3 ARG A 14 -15.206 -2.870 -8.803 1.00 52.45 H new ATOM 0 HG2 ARG A 14 -13.664 -3.551 -7.301 1.00 32.51 H new ATOM 0 HG3 ARG A 14 -13.992 -5.247 -7.595 1.00 32.51 H new ATOM 0 HD2 ARG A 14 -12.631 -5.114 -9.702 1.00 61.42 H new ATOM 0 HD3 ARG A 14 -12.256 -3.443 -9.328 1.00 61.42 H new ATOM 0 HE ARG A 14 -10.793 -4.132 -7.609 1.00 12.32 H new ATOM 0 HH11 ARG A 14 -12.590 -6.841 -8.988 1.00 11.21 H new ATOM 0 HH12 ARG A 14 -11.559 -8.059 -8.230 1.00 11.21 H new ATOM 0 HH21 ARG A 14 -9.473 -5.704 -6.641 1.00 10.21 H new ATOM 0 HH22 ARG A 14 -9.802 -7.419 -6.908 1.00 10.21 H new ATOM 188 N PHE A 15 -15.348 -7.034 -8.545 1.00 34.44 N ATOM 189 CA PHE A 15 -15.076 -8.400 -8.977 1.00 62.04 C ATOM 190 C PHE A 15 -16.367 -9.207 -9.078 1.00 11.23 C ATOM 191 O PHE A 15 -16.462 -10.152 -9.859 1.00 44.04 O ATOM 192 CB PHE A 15 -14.109 -9.082 -8.007 1.00 13.23 C ATOM 193 CG PHE A 15 -14.616 -10.393 -7.478 1.00 72.11 C ATOM 194 CD1 PHE A 15 -15.449 -10.434 -6.372 1.00 15.41 C ATOM 195 CD2 PHE A 15 -14.259 -11.585 -8.087 1.00 70.31 C ATOM 196 CE1 PHE A 15 -15.918 -11.639 -5.883 1.00 11.40 C ATOM 197 CE2 PHE A 15 -14.725 -12.793 -7.603 1.00 62.11 C ATOM 198 CZ PHE A 15 -15.554 -12.820 -6.499 1.00 13.00 C ATOM 0 H PHE A 15 -15.012 -6.813 -7.608 1.00 34.44 H new ATOM 0 HA PHE A 15 -14.618 -8.357 -9.965 1.00 62.04 H new ATOM 0 HB2 PHE A 15 -13.157 -9.247 -8.511 1.00 13.23 H new ATOM 0 HB3 PHE A 15 -13.914 -8.412 -7.169 1.00 13.23 H new ATOM 0 HD1 PHE A 15 -15.736 -9.513 -5.886 1.00 15.41 H new ATOM 0 HD2 PHE A 15 -13.609 -11.570 -8.950 1.00 70.31 H new ATOM 0 HE1 PHE A 15 -16.568 -11.657 -5.021 1.00 11.40 H new ATOM 0 HE2 PHE A 15 -14.441 -13.715 -8.088 1.00 62.11 H new ATOM 0 HZ PHE A 15 -15.917 -13.763 -6.118 1.00 13.00 H new ATOM 208 N ASN A 16 -17.359 -8.826 -8.280 1.00 12.05 N ATOM 209 CA ASN A 16 -18.645 -9.514 -8.277 1.00 31.11 C ATOM 210 C ASN A 16 -19.592 -8.901 -9.304 1.00 13.12 C ATOM 211 O ASN A 16 -20.618 -9.489 -9.645 1.00 1.01 O ATOM 212 CB ASN A 16 -19.276 -9.454 -6.884 1.00 53.05 C ATOM 213 CG ASN A 16 -20.687 -10.011 -6.865 1.00 1.44 C ATOM 214 OD1 ASN A 16 -20.916 -11.163 -7.231 1.00 75.22 O ATOM 215 ND2 ASN A 16 -21.640 -9.192 -6.435 1.00 41.53 N ATOM 0 H ASN A 16 -17.297 -8.045 -7.627 1.00 12.05 H new ATOM 0 HA ASN A 16 -18.472 -10.556 -8.545 1.00 31.11 H new ATOM 0 HB2 ASN A 16 -18.657 -10.015 -6.183 1.00 53.05 H new ATOM 0 HB3 ASN A 16 -19.292 -8.420 -6.539 1.00 53.05 H new ATOM 0 HD21 ASN A 16 -22.608 -9.511 -6.399 1.00 41.53 H new ATOM 0 HD22 ASN A 16 -21.404 -8.244 -6.141 1.00 41.53 H new ATOM 222 N GLU A 17 -19.240 -7.716 -9.792 1.00 41.15 N ATOM 223 CA GLU A 17 -20.059 -7.023 -10.780 1.00 71.42 C ATOM 224 C GLU A 17 -19.920 -7.673 -12.154 1.00 73.10 C ATOM 225 O GLU A 17 -20.894 -7.789 -12.900 1.00 22.22 O ATOM 226 CB GLU A 17 -19.663 -5.548 -10.860 1.00 12.44 C ATOM 227 CG GLU A 17 -20.467 -4.651 -9.933 1.00 23.14 C ATOM 228 CD GLU A 17 -21.857 -4.359 -10.464 1.00 4.12 C ATOM 229 OE1 GLU A 17 -22.544 -5.314 -10.881 1.00 75.31 O ATOM 230 OE2 GLU A 17 -22.256 -3.176 -10.463 1.00 34.05 O ATOM 0 H GLU A 17 -18.394 -7.216 -9.520 1.00 41.15 H new ATOM 0 HA GLU A 17 -21.100 -7.095 -10.466 1.00 71.42 H new ATOM 0 HB2 GLU A 17 -18.605 -5.451 -10.618 1.00 12.44 H new ATOM 0 HB3 GLU A 17 -19.789 -5.202 -11.886 1.00 12.44 H new ATOM 0 HG2 GLU A 17 -20.548 -5.125 -8.955 1.00 23.14 H new ATOM 0 HG3 GLU A 17 -19.933 -3.712 -9.789 1.00 23.14 H new ATOM 237 N LEU A 18 -18.704 -8.095 -12.482 1.00 51.32 N ATOM 238 CA LEU A 18 -18.436 -8.733 -13.766 1.00 50.45 C ATOM 239 C LEU A 18 -18.725 -10.229 -13.702 1.00 24.01 C ATOM 240 O LEU A 18 -19.098 -10.844 -14.701 1.00 31.21 O ATOM 241 CB LEU A 18 -16.982 -8.499 -14.180 1.00 70.45 C ATOM 242 CG LEU A 18 -15.917 -9.066 -13.241 1.00 34.24 C ATOM 243 CD1 LEU A 18 -15.306 -10.330 -13.826 1.00 53.43 C ATOM 244 CD2 LEU A 18 -14.839 -8.027 -12.967 1.00 75.35 C ATOM 0 H LEU A 18 -17.888 -8.007 -11.877 1.00 51.32 H new ATOM 0 HA LEU A 18 -19.095 -8.287 -14.510 1.00 50.45 H new ATOM 0 HB2 LEU A 18 -16.833 -8.932 -15.169 1.00 70.45 H new ATOM 0 HB3 LEU A 18 -16.820 -7.425 -14.274 1.00 70.45 H new ATOM 0 HG LEU A 18 -16.394 -9.323 -12.295 1.00 34.24 H new ATOM 0 HD11 LEU A 18 -14.550 -10.719 -13.143 1.00 53.43 H new ATOM 0 HD12 LEU A 18 -16.085 -11.079 -13.969 1.00 53.43 H new ATOM 0 HD13 LEU A 18 -14.844 -10.100 -14.786 1.00 53.43 H new ATOM 0 HD21 LEU A 18 -14.090 -8.448 -12.297 1.00 75.35 H new ATOM 0 HD22 LEU A 18 -14.365 -7.738 -13.905 1.00 75.35 H new ATOM 0 HD23 LEU A 18 -15.289 -7.150 -12.502 1.00 75.35 H new ATOM 256 N LYS A 19 -18.551 -10.809 -12.519 1.00 60.33 N ATOM 257 CA LYS A 19 -18.796 -12.233 -12.322 1.00 23.03 C ATOM 258 C LYS A 19 -20.291 -12.534 -12.326 1.00 51.20 C ATOM 259 O LYS A 19 -20.703 -13.677 -12.523 1.00 21.52 O ATOM 260 CB LYS A 19 -18.175 -12.700 -11.003 1.00 65.14 C ATOM 261 CG LYS A 19 -18.341 -14.188 -10.746 1.00 42.22 C ATOM 262 CD LYS A 19 -17.668 -14.608 -9.450 1.00 73.20 C ATOM 263 CE LYS A 19 -18.601 -15.439 -8.582 1.00 51.20 C ATOM 264 NZ LYS A 19 -19.704 -14.618 -8.010 1.00 71.00 N ATOM 0 H LYS A 19 -18.241 -10.315 -11.682 1.00 60.33 H new ATOM 0 HA LYS A 19 -18.332 -12.773 -13.147 1.00 23.03 H new ATOM 0 HB2 LYS A 19 -17.113 -12.456 -11.005 1.00 65.14 H new ATOM 0 HB3 LYS A 19 -18.628 -12.145 -10.181 1.00 65.14 H new ATOM 0 HG2 LYS A 19 -19.402 -14.435 -10.703 1.00 42.22 H new ATOM 0 HG3 LYS A 19 -17.916 -14.751 -11.577 1.00 42.22 H new ATOM 0 HD2 LYS A 19 -16.770 -15.183 -9.675 1.00 73.20 H new ATOM 0 HD3 LYS A 19 -17.350 -13.722 -8.900 1.00 73.20 H new ATOM 0 HE2 LYS A 19 -19.022 -16.251 -9.175 1.00 51.20 H new ATOM 0 HE3 LYS A 19 -18.032 -15.897 -7.773 1.00 51.20 H new ATOM 0 HZ1 LYS A 19 -20.216 -15.174 -7.296 1.00 71.00 H new ATOM 0 HZ2 LYS A 19 -19.308 -13.765 -7.566 1.00 71.00 H new ATOM 0 HZ3 LYS A 19 -20.360 -14.341 -8.768 1.00 71.00 H new ATOM 278 N ILE A 20 -21.098 -11.501 -12.109 1.00 53.14 N ATOM 279 CA ILE A 20 -22.548 -11.655 -12.091 1.00 64.32 C ATOM 280 C ILE A 20 -23.160 -11.255 -13.429 1.00 61.23 C ATOM 281 O ILE A 20 -24.202 -11.776 -13.827 1.00 70.11 O ATOM 282 CB ILE A 20 -23.190 -10.813 -10.973 1.00 45.33 C ATOM 283 CG1 ILE A 20 -24.660 -11.197 -10.795 1.00 24.51 C ATOM 284 CG2 ILE A 20 -23.059 -9.330 -11.286 1.00 42.43 C ATOM 285 CD1 ILE A 20 -25.121 -11.168 -9.355 1.00 35.12 C ATOM 0 H ILE A 20 -20.773 -10.549 -11.943 1.00 53.14 H new ATOM 0 HA ILE A 20 -22.751 -12.709 -11.902 1.00 64.32 H new ATOM 0 HB ILE A 20 -22.666 -11.016 -10.039 1.00 45.33 H new ATOM 0 HG12 ILE A 20 -25.278 -10.516 -11.380 1.00 24.51 H new ATOM 0 HG13 ILE A 20 -24.817 -12.197 -11.199 1.00 24.51 H new ATOM 0 HG21 ILE A 20 -23.517 -8.748 -10.487 1.00 42.43 H new ATOM 0 HG22 ILE A 20 -22.004 -9.067 -11.368 1.00 42.43 H new ATOM 0 HG23 ILE A 20 -23.561 -9.111 -12.228 1.00 42.43 H new ATOM 0 HD11 ILE A 20 -26.172 -11.451 -9.304 1.00 35.12 H new ATOM 0 HD12 ILE A 20 -24.528 -11.870 -8.769 1.00 35.12 H new ATOM 0 HD13 ILE A 20 -24.996 -10.163 -8.953 1.00 35.12 H new ATOM 297 N ARG A 21 -22.504 -10.328 -14.120 1.00 74.22 N ATOM 298 CA ARG A 21 -22.984 -9.859 -15.414 1.00 42.54 C ATOM 299 C ARG A 21 -22.446 -10.733 -16.543 1.00 51.04 C ATOM 300 O ARG A 21 -23.146 -11.007 -17.518 1.00 72.34 O ATOM 301 CB ARG A 21 -22.567 -8.404 -15.639 1.00 53.22 C ATOM 302 CG ARG A 21 -23.707 -7.411 -15.474 1.00 24.55 C ATOM 303 CD ARG A 21 -24.239 -7.407 -14.049 1.00 61.10 C ATOM 304 NE ARG A 21 -25.069 -6.236 -13.778 1.00 62.34 N ATOM 305 CZ ARG A 21 -26.284 -6.064 -14.286 1.00 51.31 C ATOM 306 NH1 ARG A 21 -26.808 -6.982 -15.086 1.00 54.33 N ATOM 307 NH2 ARG A 21 -26.978 -4.971 -13.993 1.00 61.21 N ATOM 0 H ARG A 21 -21.639 -9.887 -13.805 1.00 74.22 H new ATOM 0 HA ARG A 21 -24.072 -9.923 -15.415 1.00 42.54 H new ATOM 0 HB2 ARG A 21 -21.771 -8.150 -14.938 1.00 53.22 H new ATOM 0 HB3 ARG A 21 -22.152 -8.305 -16.642 1.00 53.22 H new ATOM 0 HG2 ARG A 21 -23.362 -6.411 -15.738 1.00 24.55 H new ATOM 0 HG3 ARG A 21 -24.513 -7.662 -16.164 1.00 24.55 H new ATOM 0 HD2 ARG A 21 -24.822 -8.312 -13.877 1.00 61.10 H new ATOM 0 HD3 ARG A 21 -23.403 -7.428 -13.350 1.00 61.10 H new ATOM 0 HE ARG A 21 -24.695 -5.511 -13.165 1.00 62.34 H new ATOM 0 HH11 ARG A 21 -26.278 -7.823 -15.313 1.00 54.33 H new ATOM 0 HH12 ARG A 21 -27.741 -6.847 -15.475 1.00 54.33 H new ATOM 0 HH21 ARG A 21 -26.578 -4.263 -13.377 1.00 61.21 H new ATOM 0 HH22 ARG A 21 -27.911 -4.839 -14.383 1.00 61.21 H new ATOM 321 N LYS A 22 -21.198 -11.168 -16.405 1.00 12.31 N ATOM 322 CA LYS A 22 -20.565 -12.012 -17.412 1.00 14.34 C ATOM 323 C LYS A 22 -20.493 -11.294 -18.756 1.00 34.32 C ATOM 324 O LYS A 22 -20.236 -11.913 -19.789 1.00 23.10 O ATOM 325 CB LYS A 22 -21.336 -13.325 -17.563 1.00 62.21 C ATOM 326 CG LYS A 22 -21.482 -14.098 -16.264 1.00 14.24 C ATOM 327 CD LYS A 22 -22.943 -14.326 -15.912 1.00 40.30 C ATOM 328 CE LYS A 22 -23.098 -14.864 -14.498 1.00 74.00 C ATOM 329 NZ LYS A 22 -24.516 -15.191 -14.182 1.00 14.12 N ATOM 0 H LYS A 22 -20.604 -10.950 -15.605 1.00 12.31 H new ATOM 0 HA LYS A 22 -19.549 -12.230 -17.082 1.00 14.34 H new ATOM 0 HB2 LYS A 22 -22.328 -13.110 -17.962 1.00 62.21 H new ATOM 0 HB3 LYS A 22 -20.827 -13.953 -18.294 1.00 62.21 H new ATOM 0 HG2 LYS A 22 -20.974 -15.058 -16.352 1.00 14.24 H new ATOM 0 HG3 LYS A 22 -20.993 -13.551 -15.457 1.00 14.24 H new ATOM 0 HD2 LYS A 22 -23.492 -13.389 -16.008 1.00 40.30 H new ATOM 0 HD3 LYS A 22 -23.384 -15.028 -16.620 1.00 40.30 H new ATOM 0 HE2 LYS A 22 -22.484 -15.757 -14.380 1.00 74.00 H new ATOM 0 HE3 LYS A 22 -22.728 -14.126 -13.786 1.00 74.00 H new ATOM 0 HZ1 LYS A 22 -24.580 -15.555 -13.210 1.00 14.12 H new ATOM 0 HZ2 LYS A 22 -25.098 -14.334 -14.270 1.00 14.12 H new ATOM 0 HZ3 LYS A 22 -24.862 -15.914 -14.845 1.00 14.12 H new ATOM 343 N THR A 23 -20.721 -9.985 -18.736 1.00 13.33 N ATOM 344 CA THR A 23 -20.682 -9.183 -19.952 1.00 61.33 C ATOM 345 C THR A 23 -19.681 -8.041 -19.826 1.00 1.52 C ATOM 346 O THR A 23 -19.758 -7.051 -20.554 1.00 11.22 O ATOM 347 CB THR A 23 -22.068 -8.602 -20.287 1.00 13.50 C ATOM 348 OG1 THR A 23 -23.090 -9.546 -19.950 1.00 73.45 O ATOM 349 CG2 THR A 23 -22.164 -8.247 -21.763 1.00 75.12 C ATOM 0 H THR A 23 -20.935 -9.457 -17.890 1.00 13.33 H new ATOM 0 HA THR A 23 -20.371 -9.847 -20.758 1.00 61.33 H new ATOM 0 HB THR A 23 -22.207 -7.693 -19.702 1.00 13.50 H new ATOM 0 HG1 THR A 23 -22.996 -9.808 -19.010 1.00 73.45 H new ATOM 0 HG21 THR A 23 -23.152 -7.839 -21.975 1.00 75.12 H new ATOM 0 HG22 THR A 23 -21.404 -7.505 -22.009 1.00 75.12 H new ATOM 0 HG23 THR A 23 -22.005 -9.142 -22.364 1.00 75.12 H new ATOM 357 N VAL A 24 -18.741 -8.184 -18.897 1.00 44.42 N ATOM 358 CA VAL A 24 -17.722 -7.164 -18.677 1.00 15.44 C ATOM 359 C VAL A 24 -18.343 -5.870 -18.160 1.00 30.51 C ATOM 360 O VAL A 24 -18.726 -4.997 -18.939 1.00 64.31 O ATOM 361 CB VAL A 24 -16.939 -6.864 -19.968 1.00 52.25 C ATOM 362 CG1 VAL A 24 -16.114 -5.596 -19.811 1.00 12.42 C ATOM 363 CG2 VAL A 24 -16.053 -8.043 -20.340 1.00 32.33 C ATOM 0 H VAL A 24 -18.664 -8.996 -18.285 1.00 44.42 H new ATOM 0 HA VAL A 24 -17.035 -7.559 -17.929 1.00 15.44 H new ATOM 0 HB VAL A 24 -17.653 -6.706 -20.776 1.00 52.25 H new ATOM 0 HG11 VAL A 24 -15.568 -5.401 -20.734 1.00 12.42 H new ATOM 0 HG12 VAL A 24 -16.775 -4.756 -19.596 1.00 12.42 H new ATOM 0 HG13 VAL A 24 -15.407 -5.721 -18.991 1.00 12.42 H new ATOM 0 HG21 VAL A 24 -15.507 -7.813 -21.255 1.00 32.33 H new ATOM 0 HG22 VAL A 24 -15.345 -8.235 -19.534 1.00 32.33 H new ATOM 0 HG23 VAL A 24 -16.671 -8.927 -20.498 1.00 32.33 H new ATOM 373 N LYS A 25 -18.440 -5.753 -16.840 1.00 22.41 N ATOM 374 CA LYS A 25 -19.012 -4.566 -16.216 1.00 72.15 C ATOM 375 C LYS A 25 -18.018 -3.409 -16.234 1.00 71.41 C ATOM 376 O LYS A 25 -18.327 -2.307 -15.782 1.00 41.44 O ATOM 377 CB LYS A 25 -19.430 -4.872 -14.776 1.00 65.02 C ATOM 378 CG LYS A 25 -20.026 -3.679 -14.049 1.00 73.25 C ATOM 379 CD LYS A 25 -21.397 -4.003 -13.479 1.00 2.44 C ATOM 380 CE LYS A 25 -22.476 -3.933 -14.548 1.00 15.33 C ATOM 381 NZ LYS A 25 -22.631 -2.555 -15.091 1.00 2.20 N ATOM 0 H LYS A 25 -18.129 -6.467 -16.181 1.00 22.41 H new ATOM 0 HA LYS A 25 -19.892 -4.274 -16.788 1.00 72.15 H new ATOM 0 HB2 LYS A 25 -20.158 -5.683 -14.782 1.00 65.02 H new ATOM 0 HB3 LYS A 25 -18.561 -5.227 -14.222 1.00 65.02 H new ATOM 0 HG2 LYS A 25 -19.359 -3.372 -13.243 1.00 73.25 H new ATOM 0 HG3 LYS A 25 -20.106 -2.836 -14.735 1.00 73.25 H new ATOM 0 HD2 LYS A 25 -21.383 -5.000 -13.040 1.00 2.44 H new ATOM 0 HD3 LYS A 25 -21.633 -3.304 -12.676 1.00 2.44 H new ATOM 0 HE2 LYS A 25 -22.228 -4.617 -15.359 1.00 15.33 H new ATOM 0 HE3 LYS A 25 -23.425 -4.267 -14.128 1.00 15.33 H new ATOM 0 HZ1 LYS A 25 -23.525 -2.488 -15.618 1.00 2.20 H new ATOM 0 HZ2 LYS A 25 -22.639 -1.872 -14.307 1.00 2.20 H new ATOM 0 HZ3 LYS A 25 -21.837 -2.341 -15.728 1.00 2.20 H new ATOM 395 N TRP A 26 -16.826 -3.668 -16.759 1.00 70.10 N ATOM 396 CA TRP A 26 -15.787 -2.647 -16.837 1.00 33.15 C ATOM 397 C TRP A 26 -15.650 -1.908 -15.510 1.00 34.00 C ATOM 398 O TRP A 26 -16.347 -0.923 -15.263 1.00 71.13 O ATOM 399 CB TRP A 26 -16.101 -1.655 -17.957 1.00 54.23 C ATOM 400 CG TRP A 26 -15.752 -0.239 -17.612 1.00 43.23 C ATOM 401 CD1 TRP A 26 -16.618 0.758 -17.267 1.00 14.54 C ATOM 402 CD2 TRP A 26 -14.441 0.337 -17.582 1.00 13.22 C ATOM 403 NE1 TRP A 26 -15.926 1.920 -17.023 1.00 64.11 N ATOM 404 CE2 TRP A 26 -14.588 1.688 -17.209 1.00 35.43 C ATOM 405 CE3 TRP A 26 -13.158 -0.157 -17.831 1.00 51.51 C ATOM 406 CZ2 TRP A 26 -13.501 2.547 -17.081 1.00 45.01 C ATOM 407 CZ3 TRP A 26 -12.079 0.698 -17.704 1.00 74.24 C ATOM 408 CH2 TRP A 26 -12.256 2.037 -17.331 1.00 64.05 C ATOM 0 H TRP A 26 -16.555 -4.576 -17.137 1.00 70.10 H new ATOM 0 HA TRP A 26 -14.841 -3.142 -17.055 1.00 33.15 H new ATOM 0 HB2 TRP A 26 -15.556 -1.947 -18.855 1.00 54.23 H new ATOM 0 HB3 TRP A 26 -17.163 -1.712 -18.196 1.00 54.23 H new ATOM 0 HD1 TRP A 26 -17.690 0.650 -17.196 1.00 14.54 H new ATOM 0 HE1 TRP A 26 -16.341 2.810 -16.748 1.00 64.11 H new ATOM 0 HE3 TRP A 26 -13.012 -1.188 -18.117 1.00 51.51 H new ATOM 0 HZ2 TRP A 26 -13.635 3.580 -16.795 1.00 45.01 H new ATOM 0 HZ3 TRP A 26 -11.083 0.328 -17.896 1.00 74.24 H new ATOM 0 HH2 TRP A 26 -11.393 2.679 -17.239 1.00 64.05 H new ATOM 419 N ILE A 27 -14.749 -2.389 -14.660 1.00 14.20 N ATOM 420 CA ILE A 27 -14.521 -1.772 -13.359 1.00 55.33 C ATOM 421 C ILE A 27 -13.036 -1.525 -13.121 1.00 23.14 C ATOM 422 O ILE A 27 -12.220 -2.442 -13.214 1.00 31.51 O ATOM 423 CB ILE A 27 -15.075 -2.644 -12.217 1.00 74.24 C ATOM 424 CG1 ILE A 27 -16.152 -3.593 -12.748 1.00 20.43 C ATOM 425 CG2 ILE A 27 -15.634 -1.769 -11.105 1.00 72.14 C ATOM 426 CD1 ILE A 27 -15.610 -4.935 -13.190 1.00 53.53 C ATOM 0 H ILE A 27 -14.165 -3.204 -14.849 1.00 14.20 H new ATOM 0 HA ILE A 27 -15.049 -0.818 -13.365 1.00 55.33 H new ATOM 0 HB ILE A 27 -14.260 -3.241 -11.807 1.00 74.24 H new ATOM 0 HG12 ILE A 27 -16.901 -3.750 -11.972 1.00 20.43 H new ATOM 0 HG13 ILE A 27 -16.659 -3.120 -13.589 1.00 20.43 H new ATOM 0 HG21 ILE A 27 -16.022 -2.400 -10.305 1.00 72.14 H new ATOM 0 HG22 ILE A 27 -14.843 -1.130 -10.712 1.00 72.14 H new ATOM 0 HG23 ILE A 27 -16.439 -1.149 -11.500 1.00 72.14 H new ATOM 0 HD11 ILE A 27 -16.428 -5.556 -13.554 1.00 53.53 H new ATOM 0 HD12 ILE A 27 -14.882 -4.789 -13.988 1.00 53.53 H new ATOM 0 HD13 ILE A 27 -15.128 -5.429 -12.346 1.00 53.53 H new ATOM 438 N VAL A 28 -12.691 -0.279 -12.810 1.00 65.42 N ATOM 439 CA VAL A 28 -11.303 0.088 -12.555 1.00 0.33 C ATOM 440 C VAL A 28 -11.066 0.340 -11.070 1.00 3.40 C ATOM 441 O VAL A 28 -11.521 1.343 -10.519 1.00 61.00 O ATOM 442 CB VAL A 28 -10.900 1.345 -13.348 1.00 52.25 C ATOM 443 CG1 VAL A 28 -9.613 1.937 -12.794 1.00 54.41 C ATOM 444 CG2 VAL A 28 -10.752 1.017 -14.826 1.00 73.24 C ATOM 0 H VAL A 28 -13.353 0.492 -12.729 1.00 65.42 H new ATOM 0 HA VAL A 28 -10.688 -0.751 -12.882 1.00 0.33 H new ATOM 0 HB VAL A 28 -11.689 2.089 -13.241 1.00 52.25 H new ATOM 0 HG11 VAL A 28 -9.344 2.824 -13.367 1.00 54.41 H new ATOM 0 HG12 VAL A 28 -9.759 2.210 -11.749 1.00 54.41 H new ATOM 0 HG13 VAL A 28 -8.812 1.201 -12.868 1.00 54.41 H new ATOM 0 HG21 VAL A 28 -10.467 1.917 -15.372 1.00 73.24 H new ATOM 0 HG22 VAL A 28 -9.983 0.256 -14.954 1.00 73.24 H new ATOM 0 HG23 VAL A 28 -11.700 0.643 -15.213 1.00 73.24 H new ATOM 454 N PHE A 29 -10.350 -0.576 -10.427 1.00 4.21 N ATOM 455 CA PHE A 29 -10.052 -0.453 -9.005 1.00 25.53 C ATOM 456 C PHE A 29 -8.692 0.205 -8.789 1.00 31.14 C ATOM 457 O PHE A 29 -7.696 -0.185 -9.399 1.00 13.41 O ATOM 458 CB PHE A 29 -10.076 -1.830 -8.337 1.00 13.35 C ATOM 459 CG PHE A 29 -9.167 -2.830 -8.991 1.00 24.15 C ATOM 460 CD1 PHE A 29 -9.594 -3.561 -10.087 1.00 64.51 C ATOM 461 CD2 PHE A 29 -7.885 -3.039 -8.508 1.00 65.34 C ATOM 462 CE1 PHE A 29 -8.759 -4.483 -10.692 1.00 2.44 C ATOM 463 CE2 PHE A 29 -7.045 -3.959 -9.109 1.00 13.41 C ATOM 464 CZ PHE A 29 -7.483 -4.682 -10.201 1.00 73.00 C ATOM 0 H PHE A 29 -9.965 -1.412 -10.868 1.00 4.21 H new ATOM 0 HA PHE A 29 -10.817 0.177 -8.552 1.00 25.53 H new ATOM 0 HB2 PHE A 29 -9.791 -1.722 -7.290 1.00 13.35 H new ATOM 0 HB3 PHE A 29 -11.096 -2.214 -8.352 1.00 13.35 H new ATOM 0 HD1 PHE A 29 -10.591 -3.409 -10.474 1.00 64.51 H new ATOM 0 HD2 PHE A 29 -7.538 -2.478 -7.653 1.00 65.34 H new ATOM 0 HE1 PHE A 29 -9.104 -5.046 -11.547 1.00 2.44 H new ATOM 0 HE2 PHE A 29 -6.047 -4.112 -8.725 1.00 13.41 H new ATOM 0 HZ PHE A 29 -6.829 -5.402 -10.671 1.00 73.00 H new ATOM 474 N LYS A 30 -8.658 1.206 -7.916 1.00 15.13 N ATOM 475 CA LYS A 30 -7.423 1.920 -7.617 1.00 23.03 C ATOM 476 C LYS A 30 -6.958 1.631 -6.193 1.00 30.50 C ATOM 477 O LYS A 30 -7.684 1.881 -5.230 1.00 42.33 O ATOM 478 CB LYS A 30 -7.622 3.426 -7.803 1.00 65.13 C ATOM 479 CG LYS A 30 -6.741 4.272 -6.900 1.00 52.21 C ATOM 480 CD LYS A 30 -7.506 4.773 -5.686 1.00 61.41 C ATOM 481 CE LYS A 30 -6.602 4.895 -4.469 1.00 64.22 C ATOM 482 NZ LYS A 30 -5.738 6.106 -4.539 1.00 52.11 N ATOM 0 H LYS A 30 -9.473 1.541 -7.403 1.00 15.13 H new ATOM 0 HA LYS A 30 -6.656 1.572 -8.309 1.00 23.03 H new ATOM 0 HB2 LYS A 30 -7.418 3.685 -8.842 1.00 65.13 H new ATOM 0 HB3 LYS A 30 -8.666 3.672 -7.612 1.00 65.13 H new ATOM 0 HG2 LYS A 30 -5.883 3.685 -6.574 1.00 52.21 H new ATOM 0 HG3 LYS A 30 -6.351 5.121 -7.462 1.00 52.21 H new ATOM 0 HD2 LYS A 30 -7.950 5.743 -5.909 1.00 61.41 H new ATOM 0 HD3 LYS A 30 -8.326 4.090 -5.464 1.00 61.41 H new ATOM 0 HE2 LYS A 30 -7.212 4.936 -3.566 1.00 64.22 H new ATOM 0 HE3 LYS A 30 -5.976 4.006 -4.391 1.00 64.22 H new ATOM 0 HZ1 LYS A 30 -4.807 5.892 -4.128 1.00 52.11 H new ATOM 0 HZ2 LYS A 30 -5.621 6.392 -5.532 1.00 52.11 H new ATOM 0 HZ3 LYS A 30 -6.182 6.881 -4.006 1.00 52.11 H new ATOM 496 N ILE A 31 -5.745 1.103 -6.067 1.00 41.21 N ATOM 497 CA ILE A 31 -5.184 0.783 -4.761 1.00 24.23 C ATOM 498 C ILE A 31 -4.551 2.012 -4.118 1.00 11.35 C ATOM 499 O ILE A 31 -3.666 2.641 -4.696 1.00 63.13 O ATOM 500 CB ILE A 31 -4.126 -0.332 -4.861 1.00 4.04 C ATOM 501 CG1 ILE A 31 -3.012 0.077 -5.828 1.00 34.44 C ATOM 502 CG2 ILE A 31 -4.770 -1.636 -5.307 1.00 54.41 C ATOM 503 CD1 ILE A 31 -2.000 -1.018 -6.081 1.00 20.42 C ATOM 0 H ILE A 31 -5.132 0.888 -6.854 1.00 41.21 H new ATOM 0 HA ILE A 31 -6.009 0.435 -4.140 1.00 24.23 H new ATOM 0 HB ILE A 31 -3.687 -0.485 -3.875 1.00 4.04 H new ATOM 0 HG12 ILE A 31 -3.457 0.376 -6.777 1.00 34.44 H new ATOM 0 HG13 ILE A 31 -2.498 0.951 -5.428 1.00 34.44 H new ATOM 0 HG21 ILE A 31 -4.009 -2.414 -5.373 1.00 54.41 H new ATOM 0 HG22 ILE A 31 -5.530 -1.932 -4.584 1.00 54.41 H new ATOM 0 HG23 ILE A 31 -5.233 -1.498 -6.284 1.00 54.41 H new ATOM 0 HD11 ILE A 31 -1.240 -0.658 -6.775 1.00 20.42 H new ATOM 0 HD12 ILE A 31 -1.527 -1.301 -5.140 1.00 20.42 H new ATOM 0 HD13 ILE A 31 -2.502 -1.885 -6.510 1.00 20.42 H new ATOM 515 N GLU A 32 -5.011 2.348 -2.916 1.00 71.23 N ATOM 516 CA GLU A 32 -4.489 3.502 -2.194 1.00 61.01 C ATOM 517 C GLU A 32 -3.375 3.087 -1.238 1.00 22.24 C ATOM 518 O GLU A 32 -2.863 1.971 -1.312 1.00 23.32 O ATOM 519 CB GLU A 32 -5.610 4.196 -1.418 1.00 32.11 C ATOM 520 CG GLU A 32 -5.546 5.713 -1.481 1.00 25.35 C ATOM 521 CD GLU A 32 -5.555 6.354 -0.107 1.00 4.24 C ATOM 522 OE1 GLU A 32 -6.465 6.040 0.688 1.00 31.53 O ATOM 523 OE2 GLU A 32 -4.652 7.171 0.174 1.00 74.44 O ATOM 0 H GLU A 32 -5.743 1.837 -2.423 1.00 71.23 H new ATOM 0 HA GLU A 32 -4.077 4.199 -2.924 1.00 61.01 H new ATOM 0 HB2 GLU A 32 -6.571 3.865 -1.811 1.00 32.11 H new ATOM 0 HB3 GLU A 32 -5.567 3.882 -0.375 1.00 32.11 H new ATOM 0 HG2 GLU A 32 -4.643 6.013 -2.012 1.00 25.35 H new ATOM 0 HG3 GLU A 32 -6.393 6.085 -2.057 1.00 25.35 H new ATOM 530 N ASN A 33 -3.005 3.994 -0.340 1.00 44.51 N ATOM 531 CA ASN A 33 -1.950 3.724 0.631 1.00 74.23 C ATOM 532 C ASN A 33 -2.368 2.615 1.592 1.00 1.22 C ATOM 533 O ASN A 33 -2.936 2.878 2.653 1.00 43.42 O ATOM 534 CB ASN A 33 -1.612 4.993 1.415 1.00 51.54 C ATOM 535 CG ASN A 33 -1.186 6.135 0.511 1.00 34.40 C ATOM 536 OD1 ASN A 33 -1.998 6.981 0.137 1.00 14.24 O ATOM 537 ND2 ASN A 33 0.093 6.162 0.155 1.00 33.22 N ATOM 0 H ASN A 33 -3.420 4.923 -0.264 1.00 44.51 H new ATOM 0 HA ASN A 33 -1.065 3.395 0.087 1.00 74.23 H new ATOM 0 HB2 ASN A 33 -2.481 5.299 1.998 1.00 51.54 H new ATOM 0 HB3 ASN A 33 -0.813 4.777 2.124 1.00 51.54 H new ATOM 0 HD21 ASN A 33 0.438 6.905 -0.453 1.00 33.22 H new ATOM 0 HD22 ASN A 33 0.731 5.439 0.489 1.00 33.22 H new ATOM 544 N THR A 34 -2.082 1.373 1.214 1.00 32.14 N ATOM 545 CA THR A 34 -2.428 0.224 2.042 1.00 61.03 C ATOM 546 C THR A 34 -3.937 0.012 2.085 1.00 22.22 C ATOM 547 O THR A 34 -4.521 -0.147 3.157 1.00 75.10 O ATOM 548 CB THR A 34 -1.902 0.389 3.480 1.00 15.02 C ATOM 549 OG1 THR A 34 -0.833 1.341 3.505 1.00 63.41 O ATOM 550 CG2 THR A 34 -1.417 -0.942 4.035 1.00 11.31 C ATOM 0 H THR A 34 -1.612 1.137 0.340 1.00 32.14 H new ATOM 0 HA THR A 34 -1.955 -0.647 1.588 1.00 61.03 H new ATOM 0 HB THR A 34 -2.721 0.748 4.104 1.00 15.02 H new ATOM 0 HG1 THR A 34 -0.506 1.441 4.423 1.00 63.41 H new ATOM 0 HG21 THR A 34 -1.050 -0.800 5.052 1.00 11.31 H new ATOM 0 HG22 THR A 34 -2.241 -1.655 4.043 1.00 11.31 H new ATOM 0 HG23 THR A 34 -0.611 -1.325 3.409 1.00 11.31 H new ATOM 558 N LYS A 35 -4.563 0.010 0.913 1.00 33.44 N ATOM 559 CA LYS A 35 -6.005 -0.185 0.816 1.00 30.24 C ATOM 560 C LYS A 35 -6.442 -0.299 -0.641 1.00 21.24 C ATOM 561 O LYS A 35 -5.718 0.110 -1.549 1.00 13.41 O ATOM 562 CB LYS A 35 -6.743 0.973 1.492 1.00 34.52 C ATOM 563 CG LYS A 35 -8.236 0.737 1.641 1.00 15.14 C ATOM 564 CD LYS A 35 -8.525 -0.549 2.397 1.00 35.02 C ATOM 565 CE LYS A 35 -7.885 -0.541 3.777 1.00 43.14 C ATOM 566 NZ LYS A 35 -8.287 0.654 4.568 1.00 14.33 N ATOM 0 H LYS A 35 -4.094 0.141 0.017 1.00 33.44 H new ATOM 0 HA LYS A 35 -6.256 -1.115 1.326 1.00 30.24 H new ATOM 0 HB2 LYS A 35 -6.310 1.143 2.478 1.00 34.52 H new ATOM 0 HB3 LYS A 35 -6.583 1.882 0.913 1.00 34.52 H new ATOM 0 HG2 LYS A 35 -8.687 1.578 2.167 1.00 15.14 H new ATOM 0 HG3 LYS A 35 -8.698 0.692 0.655 1.00 15.14 H new ATOM 0 HD2 LYS A 35 -9.603 -0.680 2.495 1.00 35.02 H new ATOM 0 HD3 LYS A 35 -8.151 -1.399 1.827 1.00 35.02 H new ATOM 0 HE2 LYS A 35 -8.170 -1.445 4.315 1.00 43.14 H new ATOM 0 HE3 LYS A 35 -6.800 -0.560 3.674 1.00 43.14 H new ATOM 0 HZ1 LYS A 35 -8.016 0.519 5.563 1.00 14.33 H new ATOM 0 HZ2 LYS A 35 -7.809 1.497 4.191 1.00 14.33 H new ATOM 0 HZ3 LYS A 35 -9.317 0.782 4.504 1.00 14.33 H new ATOM 580 N ILE A 36 -7.629 -0.856 -0.856 1.00 22.43 N ATOM 581 CA ILE A 36 -8.162 -1.021 -2.202 1.00 61.13 C ATOM 582 C ILE A 36 -9.538 -0.377 -2.331 1.00 41.44 C ATOM 583 O ILE A 36 -10.333 -0.392 -1.392 1.00 33.01 O ATOM 584 CB ILE A 36 -8.266 -2.508 -2.589 1.00 22.44 C ATOM 585 CG1 ILE A 36 -6.872 -3.135 -2.672 1.00 53.41 C ATOM 586 CG2 ILE A 36 -9.002 -2.662 -3.911 1.00 44.13 C ATOM 587 CD1 ILE A 36 -6.846 -4.602 -2.304 1.00 0.52 C ATOM 0 H ILE A 36 -8.240 -1.201 -0.115 1.00 22.43 H new ATOM 0 HA ILE A 36 -7.466 -0.526 -2.879 1.00 61.13 H new ATOM 0 HB ILE A 36 -8.833 -3.030 -1.818 1.00 22.44 H new ATOM 0 HG12 ILE A 36 -6.489 -3.016 -3.686 1.00 53.41 H new ATOM 0 HG13 ILE A 36 -6.198 -2.591 -2.011 1.00 53.41 H new ATOM 0 HG21 ILE A 36 -9.067 -3.719 -4.170 1.00 44.13 H new ATOM 0 HG22 ILE A 36 -10.006 -2.249 -3.819 1.00 44.13 H new ATOM 0 HG23 ILE A 36 -8.461 -2.129 -4.693 1.00 44.13 H new ATOM 0 HD11 ILE A 36 -5.827 -4.979 -2.385 1.00 0.52 H new ATOM 0 HD12 ILE A 36 -7.199 -4.727 -1.280 1.00 0.52 H new ATOM 0 HD13 ILE A 36 -7.494 -5.159 -2.981 1.00 0.52 H new ATOM 599 N VAL A 37 -9.813 0.188 -3.503 1.00 11.53 N ATOM 600 CA VAL A 37 -11.094 0.836 -3.757 1.00 15.12 C ATOM 601 C VAL A 37 -11.427 0.832 -5.245 1.00 3.33 C ATOM 602 O VAL A 37 -10.584 0.503 -6.079 1.00 63.22 O ATOM 603 CB VAL A 37 -11.101 2.289 -3.244 1.00 64.43 C ATOM 604 CG1 VAL A 37 -11.243 2.320 -1.730 1.00 43.22 C ATOM 605 CG2 VAL A 37 -9.838 3.014 -3.685 1.00 30.22 C ATOM 0 H VAL A 37 -9.166 0.210 -4.291 1.00 11.53 H new ATOM 0 HA VAL A 37 -11.849 0.265 -3.217 1.00 15.12 H new ATOM 0 HB VAL A 37 -11.959 2.805 -3.675 1.00 64.43 H new ATOM 0 HG11 VAL A 37 -11.246 3.354 -1.386 1.00 43.22 H new ATOM 0 HG12 VAL A 37 -12.178 1.839 -1.442 1.00 43.22 H new ATOM 0 HG13 VAL A 37 -10.407 1.789 -1.275 1.00 43.22 H new ATOM 0 HG21 VAL A 37 -9.859 4.039 -3.315 1.00 30.22 H new ATOM 0 HG22 VAL A 37 -8.965 2.500 -3.283 1.00 30.22 H new ATOM 0 HG23 VAL A 37 -9.785 3.023 -4.774 1.00 30.22 H new ATOM 615 N VAL A 38 -12.661 1.202 -5.571 1.00 33.53 N ATOM 616 CA VAL A 38 -13.106 1.243 -6.959 1.00 24.52 C ATOM 617 C VAL A 38 -13.175 2.677 -7.472 1.00 24.44 C ATOM 618 O VAL A 38 -13.534 3.593 -6.733 1.00 44.02 O ATOM 619 CB VAL A 38 -14.487 0.582 -7.126 1.00 11.23 C ATOM 620 CG1 VAL A 38 -15.474 1.144 -6.113 1.00 45.35 C ATOM 621 CG2 VAL A 38 -15.000 0.773 -8.545 1.00 72.20 C ATOM 0 H VAL A 38 -13.371 1.478 -4.892 1.00 33.53 H new ATOM 0 HA VAL A 38 -12.373 0.686 -7.543 1.00 24.52 H new ATOM 0 HB VAL A 38 -14.384 -0.487 -6.942 1.00 11.23 H new ATOM 0 HG11 VAL A 38 -16.444 0.665 -6.246 1.00 45.35 H new ATOM 0 HG12 VAL A 38 -15.109 0.951 -5.104 1.00 45.35 H new ATOM 0 HG13 VAL A 38 -15.576 2.219 -6.262 1.00 45.35 H new ATOM 0 HG21 VAL A 38 -15.977 0.300 -8.646 1.00 72.20 H new ATOM 0 HG22 VAL A 38 -15.089 1.838 -8.759 1.00 72.20 H new ATOM 0 HG23 VAL A 38 -14.302 0.318 -9.248 1.00 72.20 H new ATOM 631 N GLU A 39 -12.828 2.863 -8.742 1.00 35.54 N ATOM 632 CA GLU A 39 -12.851 4.186 -9.353 1.00 12.21 C ATOM 633 C GLU A 39 -13.965 4.287 -10.391 1.00 15.35 C ATOM 634 O GLU A 39 -14.832 5.158 -10.305 1.00 71.33 O ATOM 635 CB GLU A 39 -11.502 4.494 -10.006 1.00 20.03 C ATOM 636 CG GLU A 39 -10.430 4.920 -9.016 1.00 72.15 C ATOM 637 CD GLU A 39 -10.329 6.427 -8.879 1.00 22.40 C ATOM 638 OE1 GLU A 39 -10.247 7.114 -9.918 1.00 72.33 O ATOM 639 OE2 GLU A 39 -10.331 6.918 -7.731 1.00 14.41 O ATOM 0 H GLU A 39 -12.528 2.115 -9.367 1.00 35.54 H new ATOM 0 HA GLU A 39 -13.042 4.917 -8.568 1.00 12.21 H new ATOM 0 HB2 GLU A 39 -11.158 3.610 -10.544 1.00 20.03 H new ATOM 0 HB3 GLU A 39 -11.637 5.284 -10.745 1.00 20.03 H new ATOM 0 HG2 GLU A 39 -10.647 4.484 -8.041 1.00 72.15 H new ATOM 0 HG3 GLU A 39 -9.467 4.522 -9.336 1.00 72.15 H new ATOM 646 N LYS A 40 -13.936 3.391 -11.371 1.00 21.01 N ATOM 647 CA LYS A 40 -14.942 3.377 -12.426 1.00 33.21 C ATOM 648 C LYS A 40 -15.788 2.109 -12.354 1.00 41.31 C ATOM 649 O LYS A 40 -15.350 1.089 -11.822 1.00 12.12 O ATOM 650 CB LYS A 40 -14.274 3.479 -13.799 1.00 5.35 C ATOM 651 CG LYS A 40 -13.986 4.907 -14.230 1.00 54.01 C ATOM 652 CD LYS A 40 -12.970 5.572 -13.317 1.00 32.13 C ATOM 653 CE LYS A 40 -11.666 4.791 -13.272 1.00 62.11 C ATOM 654 NZ LYS A 40 -10.510 5.661 -12.918 1.00 72.21 N ATOM 0 H LYS A 40 -13.226 2.664 -11.457 1.00 21.01 H new ATOM 0 HA LYS A 40 -15.595 4.238 -12.282 1.00 33.21 H new ATOM 0 HB2 LYS A 40 -13.340 2.918 -13.782 1.00 5.35 H new ATOM 0 HB3 LYS A 40 -14.916 3.006 -14.542 1.00 5.35 H new ATOM 0 HG2 LYS A 40 -13.613 4.910 -15.254 1.00 54.01 H new ATOM 0 HG3 LYS A 40 -14.912 5.483 -14.226 1.00 54.01 H new ATOM 0 HD2 LYS A 40 -12.776 6.587 -13.665 1.00 32.13 H new ATOM 0 HD3 LYS A 40 -13.382 5.653 -12.311 1.00 32.13 H new ATOM 0 HE2 LYS A 40 -11.750 3.985 -12.543 1.00 62.11 H new ATOM 0 HE3 LYS A 40 -11.487 4.326 -14.242 1.00 62.11 H new ATOM 0 HZ1 LYS A 40 -9.813 5.643 -13.690 1.00 72.21 H new ATOM 0 HZ2 LYS A 40 -10.841 6.636 -12.773 1.00 72.21 H new ATOM 0 HZ3 LYS A 40 -10.068 5.312 -12.044 1.00 72.21 H new ATOM 668 N ASP A 41 -17.000 2.181 -12.894 1.00 25.30 N ATOM 669 CA ASP A 41 -17.905 1.038 -12.893 1.00 74.24 C ATOM 670 C ASP A 41 -19.210 1.378 -13.606 1.00 54.43 C ATOM 671 O ASP A 41 -19.731 2.485 -13.474 1.00 35.12 O ATOM 672 CB ASP A 41 -18.195 0.590 -11.460 1.00 2.12 C ATOM 673 CG ASP A 41 -19.415 1.274 -10.875 1.00 2.02 C ATOM 674 OD1 ASP A 41 -19.292 2.439 -10.441 1.00 63.03 O ATOM 675 OD2 ASP A 41 -20.493 0.645 -10.851 1.00 60.32 O ATOM 0 H ASP A 41 -17.378 3.018 -13.338 1.00 25.30 H new ATOM 0 HA ASP A 41 -17.420 0.222 -13.429 1.00 74.24 H new ATOM 0 HB2 ASP A 41 -18.344 -0.490 -11.443 1.00 2.12 H new ATOM 0 HB3 ASP A 41 -17.328 0.802 -10.834 1.00 2.12 H new ATOM 680 N GLY A 42 -19.733 0.419 -14.364 1.00 61.02 N ATOM 681 CA GLY A 42 -20.972 0.637 -15.088 1.00 3.20 C ATOM 682 C GLY A 42 -20.853 0.290 -16.559 1.00 2.03 C ATOM 683 O GLY A 42 -21.493 0.914 -17.406 1.00 24.14 O ATOM 0 H GLY A 42 -19.321 -0.505 -14.490 1.00 61.02 H new ATOM 0 HA2 GLY A 42 -21.762 0.036 -14.639 1.00 3.20 H new ATOM 0 HA3 GLY A 42 -21.269 1.681 -14.987 1.00 3.20 H new ATOM 687 N LYS A 43 -20.030 -0.708 -16.865 1.00 14.42 N ATOM 688 CA LYS A 43 -19.828 -1.138 -18.243 1.00 53.43 C ATOM 689 C LYS A 43 -19.176 -0.033 -19.068 1.00 3.42 C ATOM 690 O LYS A 43 -19.454 1.149 -18.870 1.00 52.34 O ATOM 691 CB LYS A 43 -21.163 -1.539 -18.875 1.00 31.21 C ATOM 692 CG LYS A 43 -21.100 -2.841 -19.655 1.00 44.33 C ATOM 693 CD LYS A 43 -22.282 -3.740 -19.337 1.00 55.14 C ATOM 694 CE LYS A 43 -21.917 -4.798 -18.307 1.00 54.24 C ATOM 695 NZ LYS A 43 -22.962 -5.854 -18.202 1.00 53.34 N ATOM 0 H LYS A 43 -19.492 -1.234 -16.176 1.00 14.42 H new ATOM 0 HA LYS A 43 -19.163 -2.001 -18.233 1.00 53.43 H new ATOM 0 HB2 LYS A 43 -21.914 -1.631 -18.090 1.00 31.21 H new ATOM 0 HB3 LYS A 43 -21.494 -0.742 -19.541 1.00 31.21 H new ATOM 0 HG2 LYS A 43 -21.083 -2.625 -20.723 1.00 44.33 H new ATOM 0 HG3 LYS A 43 -20.172 -3.362 -19.420 1.00 44.33 H new ATOM 0 HD2 LYS A 43 -23.109 -3.137 -18.963 1.00 55.14 H new ATOM 0 HD3 LYS A 43 -22.628 -4.224 -20.250 1.00 55.14 H new ATOM 0 HE2 LYS A 43 -20.965 -5.255 -18.577 1.00 54.24 H new ATOM 0 HE3 LYS A 43 -21.779 -4.326 -17.334 1.00 54.24 H new ATOM 0 HZ1 LYS A 43 -22.536 -6.728 -17.832 1.00 53.34 H new ATOM 0 HZ2 LYS A 43 -23.714 -5.536 -17.558 1.00 53.34 H new ATOM 0 HZ3 LYS A 43 -23.366 -6.037 -19.143 1.00 53.34 H new ATOM 709 N GLY A 44 -18.307 -0.426 -19.994 1.00 44.01 N ATOM 710 CA GLY A 44 -17.630 0.543 -20.835 1.00 45.54 C ATOM 711 C GLY A 44 -16.710 -0.110 -21.848 1.00 40.31 C ATOM 712 O GLY A 44 -16.539 0.395 -22.957 1.00 72.30 O ATOM 0 H GLY A 44 -18.060 -1.399 -20.177 1.00 44.01 H new ATOM 0 HA2 GLY A 44 -18.372 1.146 -21.358 1.00 45.54 H new ATOM 0 HA3 GLY A 44 -17.052 1.222 -20.208 1.00 45.54 H new ATOM 716 N ASN A 45 -16.115 -1.235 -21.465 1.00 42.34 N ATOM 717 CA ASN A 45 -15.205 -1.957 -22.348 1.00 14.31 C ATOM 718 C ASN A 45 -13.947 -1.138 -22.621 1.00 14.25 C ATOM 719 O ASN A 45 -13.705 -0.120 -21.973 1.00 25.12 O ATOM 720 CB ASN A 45 -15.903 -2.295 -23.667 1.00 30.00 C ATOM 721 CG ASN A 45 -15.602 -3.706 -24.135 1.00 41.30 C ATOM 722 OD1 ASN A 45 -14.464 -4.169 -24.053 1.00 34.40 O ATOM 723 ND2 ASN A 45 -16.623 -4.395 -24.630 1.00 32.54 N ATOM 0 H ASN A 45 -16.246 -1.666 -20.550 1.00 42.34 H new ATOM 0 HA ASN A 45 -14.914 -2.882 -21.851 1.00 14.31 H new ATOM 0 HB2 ASN A 45 -16.980 -2.177 -23.546 1.00 30.00 H new ATOM 0 HB3 ASN A 45 -15.589 -1.586 -24.433 1.00 30.00 H new ATOM 0 HD21 ASN A 45 -16.481 -5.349 -24.962 1.00 32.54 H new ATOM 0 HD22 ASN A 45 -17.549 -3.970 -24.678 1.00 32.54 H new ATOM 730 N ALA A 46 -13.151 -1.589 -23.584 1.00 72.41 N ATOM 731 CA ALA A 46 -11.920 -0.898 -23.944 1.00 42.35 C ATOM 732 C ALA A 46 -12.179 0.582 -24.209 1.00 65.43 C ATOM 733 O ALA A 46 -11.352 1.434 -23.884 1.00 61.00 O ATOM 734 CB ALA A 46 -11.285 -1.551 -25.163 1.00 41.12 C ATOM 0 H ALA A 46 -13.337 -2.431 -24.129 1.00 72.41 H new ATOM 0 HA ALA A 46 -11.230 -0.975 -23.104 1.00 42.35 H new ATOM 0 HB1 ALA A 46 -10.366 -1.024 -25.421 1.00 41.12 H new ATOM 0 HB2 ALA A 46 -11.056 -2.593 -24.940 1.00 41.12 H new ATOM 0 HB3 ALA A 46 -11.978 -1.504 -26.003 1.00 41.12 H new ATOM 740 N ASP A 47 -13.330 0.879 -24.802 1.00 3.24 N ATOM 741 CA ASP A 47 -13.697 2.256 -25.110 1.00 13.42 C ATOM 742 C ASP A 47 -13.536 3.149 -23.883 1.00 54.35 C ATOM 743 O ASP A 47 -13.107 4.297 -23.993 1.00 15.45 O ATOM 744 CB ASP A 47 -15.139 2.321 -25.617 1.00 62.42 C ATOM 745 CG ASP A 47 -15.224 2.246 -27.129 1.00 52.31 C ATOM 746 OD1 ASP A 47 -14.249 1.783 -27.757 1.00 3.12 O ATOM 747 OD2 ASP A 47 -16.267 2.650 -27.684 1.00 42.55 O ATOM 0 H ASP A 47 -14.024 0.185 -25.079 1.00 3.24 H new ATOM 0 HA ASP A 47 -13.028 2.618 -25.891 1.00 13.42 H new ATOM 0 HB2 ASP A 47 -15.711 1.501 -25.183 1.00 62.42 H new ATOM 0 HB3 ASP A 47 -15.600 3.248 -25.275 1.00 62.42 H new ATOM 752 N GLU A 48 -13.885 2.613 -22.718 1.00 4.53 N ATOM 753 CA GLU A 48 -13.780 3.363 -21.472 1.00 12.45 C ATOM 754 C GLU A 48 -12.379 3.242 -20.880 1.00 1.55 C ATOM 755 O GLU A 48 -11.774 4.237 -20.479 1.00 12.24 O ATOM 756 CB GLU A 48 -14.817 2.865 -20.462 1.00 41.43 C ATOM 757 CG GLU A 48 -16.150 3.588 -20.553 1.00 35.11 C ATOM 758 CD GLU A 48 -16.799 3.787 -19.197 1.00 34.01 C ATOM 759 OE1 GLU A 48 -16.167 4.415 -18.322 1.00 52.25 O ATOM 760 OE2 GLU A 48 -17.940 3.314 -19.011 1.00 13.22 O ATOM 0 H GLU A 48 -14.242 1.664 -22.611 1.00 4.53 H new ATOM 0 HA GLU A 48 -13.973 4.413 -21.693 1.00 12.45 H new ATOM 0 HB2 GLU A 48 -14.980 1.799 -20.617 1.00 41.43 H new ATOM 0 HB3 GLU A 48 -14.417 2.983 -19.455 1.00 41.43 H new ATOM 0 HG2 GLU A 48 -16.001 4.558 -21.026 1.00 35.11 H new ATOM 0 HG3 GLU A 48 -16.824 3.020 -21.195 1.00 35.11 H new ATOM 767 N PHE A 49 -11.869 2.016 -20.828 1.00 2.55 N ATOM 768 CA PHE A 49 -10.540 1.764 -20.283 1.00 63.13 C ATOM 769 C PHE A 49 -9.487 2.592 -21.013 1.00 44.51 C ATOM 770 O PHE A 49 -8.427 2.892 -20.463 1.00 42.53 O ATOM 771 CB PHE A 49 -10.197 0.276 -20.388 1.00 1.33 C ATOM 772 CG PHE A 49 -8.793 -0.046 -19.964 1.00 24.41 C ATOM 773 CD1 PHE A 49 -7.743 0.054 -20.863 1.00 72.43 C ATOM 774 CD2 PHE A 49 -8.522 -0.449 -18.666 1.00 64.12 C ATOM 775 CE1 PHE A 49 -6.450 -0.244 -20.476 1.00 13.40 C ATOM 776 CE2 PHE A 49 -7.230 -0.747 -18.273 1.00 35.20 C ATOM 777 CZ PHE A 49 -6.193 -0.643 -19.179 1.00 73.20 C ATOM 0 H PHE A 49 -12.356 1.182 -21.156 1.00 2.55 H new ATOM 0 HA PHE A 49 -10.543 2.057 -19.233 1.00 63.13 H new ATOM 0 HB2 PHE A 49 -10.894 -0.294 -19.773 1.00 1.33 H new ATOM 0 HB3 PHE A 49 -10.341 -0.050 -21.418 1.00 1.33 H new ATOM 0 HD1 PHE A 49 -7.937 0.368 -21.878 1.00 72.43 H new ATOM 0 HD2 PHE A 49 -9.329 -0.531 -17.953 1.00 64.12 H new ATOM 0 HE1 PHE A 49 -5.641 -0.165 -21.187 1.00 13.40 H new ATOM 0 HE2 PHE A 49 -7.032 -1.061 -17.259 1.00 35.20 H new ATOM 0 HZ PHE A 49 -5.183 -0.873 -18.874 1.00 73.20 H new ATOM 787 N ARG A 50 -9.787 2.958 -22.255 1.00 44.41 N ATOM 788 CA ARG A 50 -8.866 3.750 -23.062 1.00 10.54 C ATOM 789 C ARG A 50 -9.087 5.243 -22.831 1.00 70.42 C ATOM 790 O ARG A 50 -8.211 6.060 -23.109 1.00 1.43 O ATOM 791 CB ARG A 50 -9.041 3.421 -24.545 1.00 53.23 C ATOM 792 CG ARG A 50 -10.307 4.004 -25.153 1.00 44.22 C ATOM 793 CD ARG A 50 -9.986 5.035 -26.224 1.00 72.24 C ATOM 794 NE ARG A 50 -11.145 5.331 -27.063 1.00 23.01 N ATOM 795 CZ ARG A 50 -11.252 6.426 -27.808 1.00 31.51 C ATOM 796 NH1 ARG A 50 -10.276 7.323 -27.819 1.00 21.43 N ATOM 797 NH2 ARG A 50 -12.338 6.624 -28.545 1.00 2.25 N ATOM 0 H ARG A 50 -10.660 2.719 -22.724 1.00 44.41 H new ATOM 0 HA ARG A 50 -7.849 3.499 -22.759 1.00 10.54 H new ATOM 0 HB2 ARG A 50 -8.178 3.795 -25.096 1.00 53.23 H new ATOM 0 HB3 ARG A 50 -9.054 2.338 -24.669 1.00 53.23 H new ATOM 0 HG2 ARG A 50 -10.907 3.203 -25.585 1.00 44.22 H new ATOM 0 HG3 ARG A 50 -10.909 4.466 -24.370 1.00 44.22 H new ATOM 0 HD2 ARG A 50 -9.637 5.953 -25.751 1.00 72.24 H new ATOM 0 HD3 ARG A 50 -9.171 4.668 -26.848 1.00 72.24 H new ATOM 0 HE ARG A 50 -11.914 4.661 -27.078 1.00 23.01 H new ATOM 0 HH11 ARG A 50 -9.440 7.174 -27.254 1.00 21.43 H new ATOM 0 HH12 ARG A 50 -10.361 8.162 -28.392 1.00 21.43 H new ATOM 0 HH21 ARG A 50 -13.091 5.936 -28.539 1.00 2.25 H new ATOM 0 HH22 ARG A 50 -12.420 7.465 -29.117 1.00 2.25 H new ATOM 811 N GLY A 51 -10.265 5.590 -22.322 1.00 33.40 N ATOM 812 CA GLY A 51 -10.581 6.982 -22.064 1.00 4.44 C ATOM 813 C GLY A 51 -10.920 7.240 -20.609 1.00 32.21 C ATOM 814 O GLY A 51 -11.556 8.241 -20.281 1.00 34.21 O ATOM 0 H GLY A 51 -11.006 4.931 -22.084 1.00 33.40 H new ATOM 0 HA2 GLY A 51 -9.733 7.603 -22.352 1.00 4.44 H new ATOM 0 HA3 GLY A 51 -11.422 7.282 -22.689 1.00 4.44 H new ATOM 818 N ALA A 52 -10.496 6.333 -19.735 1.00 13.14 N ATOM 819 CA ALA A 52 -10.759 6.467 -18.307 1.00 40.11 C ATOM 820 C ALA A 52 -9.459 6.531 -17.513 1.00 44.03 C ATOM 821 O ALA A 52 -9.349 7.278 -16.540 1.00 52.53 O ATOM 822 CB ALA A 52 -11.622 5.313 -17.819 1.00 24.14 C ATOM 0 H ALA A 52 -9.969 5.498 -19.990 1.00 13.14 H new ATOM 0 HA ALA A 52 -11.297 7.401 -18.148 1.00 40.11 H new ATOM 0 HB1 ALA A 52 -11.810 5.426 -16.751 1.00 24.14 H new ATOM 0 HB2 ALA A 52 -12.570 5.315 -18.357 1.00 24.14 H new ATOM 0 HB3 ALA A 52 -11.105 4.371 -17.999 1.00 24.14 H new ATOM 828 N LEU A 53 -8.475 5.743 -17.933 1.00 72.23 N ATOM 829 CA LEU A 53 -7.181 5.709 -17.261 1.00 12.43 C ATOM 830 C LEU A 53 -6.643 7.120 -17.045 1.00 43.24 C ATOM 831 O LEU A 53 -6.884 8.031 -17.838 1.00 33.11 O ATOM 832 CB LEU A 53 -6.181 4.888 -18.077 1.00 11.52 C ATOM 833 CG LEU A 53 -5.794 3.529 -17.493 1.00 52.03 C ATOM 834 CD1 LEU A 53 -7.018 2.634 -17.368 1.00 45.21 C ATOM 835 CD2 LEU A 53 -4.730 2.863 -18.353 1.00 42.11 C ATOM 0 H LEU A 53 -8.549 5.119 -18.736 1.00 72.23 H new ATOM 0 HA LEU A 53 -7.317 5.239 -16.287 1.00 12.43 H new ATOM 0 HB2 LEU A 53 -6.598 4.728 -19.071 1.00 11.52 H new ATOM 0 HB3 LEU A 53 -5.274 5.479 -18.203 1.00 11.52 H new ATOM 0 HG LEU A 53 -5.381 3.687 -16.497 1.00 52.03 H new ATOM 0 HD11 LEU A 53 -6.724 1.671 -16.951 1.00 45.21 H new ATOM 0 HD12 LEU A 53 -7.748 3.106 -16.711 1.00 45.21 H new ATOM 0 HD13 LEU A 53 -7.460 2.483 -18.353 1.00 45.21 H new ATOM 0 HD21 LEU A 53 -4.466 1.897 -17.923 1.00 42.11 H new ATOM 0 HD22 LEU A 53 -5.116 2.718 -19.362 1.00 42.11 H new ATOM 0 HD23 LEU A 53 -3.844 3.497 -18.391 1.00 42.11 H new ATOM 847 N PRO A 54 -5.893 7.307 -15.949 1.00 31.21 N ATOM 848 CA PRO A 54 -5.302 8.604 -15.605 1.00 71.44 C ATOM 849 C PRO A 54 -4.180 9.000 -16.559 1.00 54.41 C ATOM 850 O PRO A 54 -3.527 8.144 -17.154 1.00 42.10 O ATOM 851 CB PRO A 54 -4.751 8.380 -14.195 1.00 63.31 C ATOM 852 CG PRO A 54 -4.503 6.913 -14.114 1.00 30.13 C ATOM 853 CD PRO A 54 -5.564 6.266 -14.960 1.00 52.24 C ATOM 0 HA PRO A 54 -6.029 9.414 -15.669 1.00 71.44 H new ATOM 0 HB2 PRO A 54 -3.834 8.946 -14.034 1.00 63.31 H new ATOM 0 HB3 PRO A 54 -5.463 8.704 -13.436 1.00 63.31 H new ATOM 0 HG2 PRO A 54 -3.507 6.665 -14.480 1.00 30.13 H new ATOM 0 HG3 PRO A 54 -4.560 6.564 -13.083 1.00 30.13 H new ATOM 0 HD2 PRO A 54 -5.198 5.358 -15.439 1.00 52.24 H new ATOM 0 HD3 PRO A 54 -6.435 5.985 -14.367 1.00 52.24 H new ATOM 861 N ALA A 55 -3.963 10.304 -16.700 1.00 22.05 N ATOM 862 CA ALA A 55 -2.918 10.814 -17.579 1.00 73.42 C ATOM 863 C ALA A 55 -1.560 10.798 -16.885 1.00 54.44 C ATOM 864 O ALA A 55 -0.528 10.607 -17.526 1.00 22.41 O ATOM 865 CB ALA A 55 -3.260 12.222 -18.044 1.00 20.43 C ATOM 0 H ALA A 55 -4.497 11.026 -16.217 1.00 22.05 H new ATOM 0 HA ALA A 55 -2.859 10.161 -18.449 1.00 73.42 H new ATOM 0 HB1 ALA A 55 -2.471 12.590 -18.700 1.00 20.43 H new ATOM 0 HB2 ALA A 55 -4.205 12.206 -18.587 1.00 20.43 H new ATOM 0 HB3 ALA A 55 -3.349 12.879 -17.179 1.00 20.43 H new ATOM 871 N ASN A 56 -1.570 11.003 -15.572 1.00 62.51 N ATOM 872 CA ASN A 56 -0.338 11.013 -14.791 1.00 41.55 C ATOM 873 C ASN A 56 -0.467 10.124 -13.558 1.00 54.34 C ATOM 874 O ASN A 56 0.034 10.458 -12.484 1.00 55.05 O ATOM 875 CB ASN A 56 0.010 12.442 -14.369 1.00 43.34 C ATOM 876 CG ASN A 56 0.730 13.209 -15.462 1.00 61.22 C ATOM 877 OD1 ASN A 56 0.892 12.716 -16.579 1.00 34.55 O ATOM 878 ND2 ASN A 56 1.167 14.422 -15.144 1.00 72.14 N ATOM 0 H ASN A 56 -2.417 11.164 -15.027 1.00 62.51 H new ATOM 0 HA ASN A 56 0.463 10.620 -15.417 1.00 41.55 H new ATOM 0 HB2 ASN A 56 -0.904 12.971 -14.099 1.00 43.34 H new ATOM 0 HB3 ASN A 56 0.636 12.412 -13.477 1.00 43.34 H new ATOM 0 HD21 ASN A 56 1.659 14.985 -15.838 1.00 72.14 H new ATOM 0 HD22 ASN A 56 1.011 14.791 -14.206 1.00 72.14 H new ATOM 885 N ASP A 57 -1.142 8.991 -13.721 1.00 41.51 N ATOM 886 CA ASP A 57 -1.336 8.053 -12.622 1.00 71.31 C ATOM 887 C ASP A 57 -1.439 6.622 -13.141 1.00 53.14 C ATOM 888 O ASP A 57 -1.284 6.373 -14.337 1.00 62.44 O ATOM 889 CB ASP A 57 -2.595 8.414 -11.831 1.00 65.53 C ATOM 890 CG ASP A 57 -2.303 8.674 -10.367 1.00 10.34 C ATOM 891 OD1 ASP A 57 -1.843 7.740 -9.678 1.00 74.41 O ATOM 892 OD2 ASP A 57 -2.535 9.813 -9.909 1.00 33.14 O ATOM 0 H ASP A 57 -1.564 8.700 -14.603 1.00 41.51 H new ATOM 0 HA ASP A 57 -0.471 8.120 -11.963 1.00 71.31 H new ATOM 0 HB2 ASP A 57 -3.055 9.299 -12.270 1.00 65.53 H new ATOM 0 HB3 ASP A 57 -3.319 7.604 -11.916 1.00 65.53 H new ATOM 897 N CYS A 58 -1.701 5.687 -12.235 1.00 71.22 N ATOM 898 CA CYS A 58 -1.823 4.280 -12.601 1.00 52.24 C ATOM 899 C CYS A 58 -3.116 3.686 -12.053 1.00 73.20 C ATOM 900 O CYS A 58 -3.591 4.083 -10.989 1.00 32.22 O ATOM 901 CB CYS A 58 -0.623 3.490 -12.079 1.00 64.21 C ATOM 902 SG CYS A 58 -0.128 2.111 -13.140 1.00 14.42 S ATOM 0 H CYS A 58 -1.833 5.877 -11.242 1.00 71.22 H new ATOM 0 HA CYS A 58 -1.847 4.214 -13.689 1.00 52.24 H new ATOM 0 HB2 CYS A 58 0.223 4.168 -11.965 1.00 64.21 H new ATOM 0 HB3 CYS A 58 -0.859 3.105 -11.087 1.00 64.21 H new ATOM 0 HG CYS A 58 0.896 1.506 -12.616 1.00 14.42 H new ATOM 908 N ARG A 59 -3.682 2.734 -12.788 1.00 21.55 N ATOM 909 CA ARG A 59 -4.922 2.086 -12.376 1.00 41.52 C ATOM 910 C ARG A 59 -5.052 0.706 -13.012 1.00 65.53 C ATOM 911 O ARG A 59 -4.274 0.341 -13.894 1.00 42.45 O ATOM 912 CB ARG A 59 -6.125 2.951 -12.759 1.00 25.00 C ATOM 913 CG ARG A 59 -6.809 3.604 -11.569 1.00 45.11 C ATOM 914 CD ARG A 59 -7.274 5.014 -11.899 1.00 24.14 C ATOM 915 NE ARG A 59 -7.587 5.782 -10.697 1.00 35.34 N ATOM 916 CZ ARG A 59 -6.670 6.385 -9.949 1.00 62.14 C ATOM 917 NH1 ARG A 59 -5.388 6.310 -10.279 1.00 42.22 N ATOM 918 NH2 ARG A 59 -7.034 7.065 -8.870 1.00 2.31 N ATOM 0 H ARG A 59 -3.302 2.394 -13.671 1.00 21.55 H new ATOM 0 HA ARG A 59 -4.898 1.967 -11.293 1.00 41.52 H new ATOM 0 HB2 ARG A 59 -5.798 3.728 -13.450 1.00 25.00 H new ATOM 0 HB3 ARG A 59 -6.850 2.335 -13.291 1.00 25.00 H new ATOM 0 HG2 ARG A 59 -7.663 3.000 -11.262 1.00 45.11 H new ATOM 0 HG3 ARG A 59 -6.121 3.635 -10.724 1.00 45.11 H new ATOM 0 HD2 ARG A 59 -6.498 5.528 -12.466 1.00 24.14 H new ATOM 0 HD3 ARG A 59 -8.156 4.965 -12.538 1.00 24.14 H new ATOM 0 HE ARG A 59 -8.565 5.860 -10.416 1.00 35.34 H new ATOM 0 HH11 ARG A 59 -5.105 5.789 -11.109 1.00 42.22 H new ATOM 0 HH12 ARG A 59 -4.685 6.774 -9.703 1.00 42.22 H new ATOM 0 HH21 ARG A 59 -8.019 7.125 -8.614 1.00 2.31 H new ATOM 0 HH22 ARG A 59 -6.329 7.528 -8.297 1.00 2.31 H new ATOM 932 N PHE A 60 -6.039 -0.059 -12.558 1.00 21.10 N ATOM 933 CA PHE A 60 -6.270 -1.401 -13.081 1.00 43.42 C ATOM 934 C PHE A 60 -7.698 -1.544 -13.598 1.00 71.42 C ATOM 935 O PHE A 60 -8.516 -0.636 -13.456 1.00 20.54 O ATOM 936 CB PHE A 60 -6.000 -2.447 -11.998 1.00 44.11 C ATOM 937 CG PHE A 60 -4.807 -2.129 -11.142 1.00 32.32 C ATOM 938 CD1 PHE A 60 -3.522 -2.266 -11.642 1.00 33.32 C ATOM 939 CD2 PHE A 60 -4.971 -1.694 -9.837 1.00 33.15 C ATOM 940 CE1 PHE A 60 -2.423 -1.974 -10.857 1.00 21.44 C ATOM 941 CE2 PHE A 60 -3.876 -1.400 -9.047 1.00 22.42 C ATOM 942 CZ PHE A 60 -2.600 -1.542 -9.557 1.00 0.10 C ATOM 0 H PHE A 60 -6.692 0.227 -11.829 1.00 21.10 H new ATOM 0 HA PHE A 60 -5.583 -1.564 -13.912 1.00 43.42 H new ATOM 0 HB2 PHE A 60 -6.881 -2.535 -11.362 1.00 44.11 H new ATOM 0 HB3 PHE A 60 -5.850 -3.418 -12.471 1.00 44.11 H new ATOM 0 HD1 PHE A 60 -3.378 -2.605 -12.657 1.00 33.32 H new ATOM 0 HD2 PHE A 60 -5.966 -1.583 -9.432 1.00 33.15 H new ATOM 0 HE1 PHE A 60 -1.427 -2.083 -11.259 1.00 21.44 H new ATOM 0 HE2 PHE A 60 -4.018 -1.060 -8.032 1.00 22.42 H new ATOM 0 HZ PHE A 60 -1.743 -1.316 -8.941 1.00 0.10 H new ATOM 952 N GLY A 61 -7.990 -2.693 -14.201 1.00 35.24 N ATOM 953 CA GLY A 61 -9.320 -2.936 -14.731 1.00 5.44 C ATOM 954 C GLY A 61 -9.631 -4.413 -14.861 1.00 61.44 C ATOM 955 O GLY A 61 -8.832 -5.178 -15.401 1.00 64.34 O ATOM 0 H GLY A 61 -7.330 -3.459 -14.332 1.00 35.24 H new ATOM 0 HA2 GLY A 61 -10.058 -2.468 -14.080 1.00 5.44 H new ATOM 0 HA3 GLY A 61 -9.411 -2.461 -15.708 1.00 5.44 H new ATOM 959 N VAL A 62 -10.796 -4.817 -14.364 1.00 64.43 N ATOM 960 CA VAL A 62 -11.211 -6.214 -14.427 1.00 43.35 C ATOM 961 C VAL A 62 -12.487 -6.371 -15.247 1.00 23.12 C ATOM 962 O VAL A 62 -13.484 -5.692 -14.999 1.00 23.40 O ATOM 963 CB VAL A 62 -11.442 -6.795 -13.020 1.00 15.41 C ATOM 964 CG1 VAL A 62 -10.126 -7.244 -12.404 1.00 72.33 C ATOM 965 CG2 VAL A 62 -12.135 -5.774 -12.130 1.00 54.32 C ATOM 0 H VAL A 62 -11.469 -4.197 -13.913 1.00 64.43 H new ATOM 0 HA VAL A 62 -10.403 -6.763 -14.910 1.00 43.35 H new ATOM 0 HB VAL A 62 -12.090 -7.667 -13.108 1.00 15.41 H new ATOM 0 HG11 VAL A 62 -10.310 -7.652 -11.410 1.00 72.33 H new ATOM 0 HG12 VAL A 62 -9.673 -8.011 -13.032 1.00 72.33 H new ATOM 0 HG13 VAL A 62 -9.451 -6.392 -12.327 1.00 72.33 H new ATOM 0 HG21 VAL A 62 -12.291 -6.201 -11.139 1.00 54.32 H new ATOM 0 HG22 VAL A 62 -11.514 -4.882 -12.047 1.00 54.32 H new ATOM 0 HG23 VAL A 62 -13.098 -5.506 -12.565 1.00 54.32 H new ATOM 975 N TYR A 63 -12.449 -7.271 -16.223 1.00 42.22 N ATOM 976 CA TYR A 63 -13.602 -7.517 -17.081 1.00 42.32 C ATOM 977 C TYR A 63 -13.706 -8.995 -17.443 1.00 34.12 C ATOM 978 O TYR A 63 -12.826 -9.548 -18.103 1.00 34.13 O ATOM 979 CB TYR A 63 -13.505 -6.674 -18.354 1.00 74.43 C ATOM 980 CG TYR A 63 -12.092 -6.272 -18.709 1.00 4.15 C ATOM 981 CD1 TYR A 63 -11.520 -5.124 -18.173 1.00 60.51 C ATOM 982 CD2 TYR A 63 -11.327 -7.040 -19.578 1.00 71.12 C ATOM 983 CE1 TYR A 63 -10.229 -4.753 -18.495 1.00 0.33 C ATOM 984 CE2 TYR A 63 -10.035 -6.677 -19.904 1.00 43.12 C ATOM 985 CZ TYR A 63 -9.490 -5.532 -19.360 1.00 74.24 C ATOM 986 OH TYR A 63 -8.203 -5.166 -19.682 1.00 75.11 O ATOM 0 H TYR A 63 -11.632 -7.842 -16.440 1.00 42.22 H new ATOM 0 HA TYR A 63 -14.499 -7.232 -16.532 1.00 42.32 H new ATOM 0 HB2 TYR A 63 -13.933 -7.235 -19.184 1.00 74.43 H new ATOM 0 HB3 TYR A 63 -14.109 -5.775 -18.231 1.00 74.43 H new ATOM 0 HD1 TYR A 63 -12.095 -4.512 -17.493 1.00 60.51 H new ATOM 0 HD2 TYR A 63 -11.750 -7.937 -20.006 1.00 71.12 H new ATOM 0 HE1 TYR A 63 -9.800 -3.857 -18.071 1.00 0.33 H new ATOM 0 HE2 TYR A 63 -9.454 -7.286 -20.581 1.00 43.12 H new ATOM 0 HH TYR A 63 -7.579 -5.855 -19.371 1.00 75.11 H new ATOM 996 N ASP A 64 -14.789 -9.629 -17.006 1.00 51.10 N ATOM 997 CA ASP A 64 -15.012 -11.043 -17.284 1.00 43.02 C ATOM 998 C ASP A 64 -14.910 -11.325 -18.780 1.00 23.21 C ATOM 999 O ASP A 64 -15.838 -11.046 -19.539 1.00 54.21 O ATOM 1000 CB ASP A 64 -16.382 -11.478 -16.763 1.00 14.41 C ATOM 1001 CG ASP A 64 -16.320 -12.775 -15.981 1.00 63.12 C ATOM 1002 OD1 ASP A 64 -15.355 -13.542 -16.182 1.00 31.11 O ATOM 1003 OD2 ASP A 64 -17.236 -13.024 -15.169 1.00 43.03 O ATOM 0 H ASP A 64 -15.526 -9.186 -16.458 1.00 51.10 H new ATOM 0 HA ASP A 64 -14.239 -11.615 -16.771 1.00 43.02 H new ATOM 0 HB2 ASP A 64 -16.791 -10.693 -16.127 1.00 14.41 H new ATOM 0 HB3 ASP A 64 -17.066 -11.596 -17.603 1.00 14.41 H new ATOM 1008 N CYS A 65 -13.776 -11.879 -19.196 1.00 53.01 N ATOM 1009 CA CYS A 65 -13.552 -12.197 -20.602 1.00 20.42 C ATOM 1010 C CYS A 65 -14.202 -13.527 -20.968 1.00 73.45 C ATOM 1011 O CYS A 65 -14.303 -13.878 -22.143 1.00 45.04 O ATOM 1012 CB CYS A 65 -12.053 -12.249 -20.902 1.00 12.24 C ATOM 1013 SG CYS A 65 -11.644 -12.066 -22.653 1.00 71.43 S ATOM 0 H CYS A 65 -12.998 -12.117 -18.580 1.00 53.01 H new ATOM 0 HA CYS A 65 -14.009 -11.412 -21.204 1.00 20.42 H new ATOM 0 HB2 CYS A 65 -11.553 -11.461 -20.339 1.00 12.24 H new ATOM 0 HB3 CYS A 65 -11.654 -13.198 -20.544 1.00 12.24 H new ATOM 0 HG CYS A 65 -10.354 -12.121 -22.805 1.00 71.43 H new ATOM 1019 N GLY A 66 -14.642 -14.265 -19.953 1.00 63.34 N ATOM 1020 CA GLY A 66 -15.275 -15.550 -20.190 1.00 11.55 C ATOM 1021 C GLY A 66 -14.357 -16.715 -19.879 1.00 43.20 C ATOM 1022 O GLY A 66 -14.812 -17.776 -19.455 1.00 63.22 O ATOM 0 H GLY A 66 -14.572 -13.996 -18.972 1.00 63.34 H new ATOM 0 HA2 GLY A 66 -16.174 -15.627 -19.579 1.00 11.55 H new ATOM 0 HA3 GLY A 66 -15.592 -15.609 -21.231 1.00 11.55 H new ATOM 1026 N ASN A 67 -13.060 -16.517 -20.092 1.00 62.10 N ATOM 1027 CA ASN A 67 -12.075 -17.561 -19.834 1.00 70.51 C ATOM 1028 C ASN A 67 -11.109 -17.138 -18.731 1.00 73.15 C ATOM 1029 O ASN A 67 -10.482 -17.977 -18.084 1.00 13.21 O ATOM 1030 CB ASN A 67 -11.298 -17.885 -21.112 1.00 22.34 C ATOM 1031 CG ASN A 67 -12.011 -18.903 -21.980 1.00 75.12 C ATOM 1032 OD1 ASN A 67 -13.154 -18.695 -22.389 1.00 0.23 O ATOM 1033 ND2 ASN A 67 -11.339 -20.012 -22.266 1.00 41.12 N ATOM 0 H ASN A 67 -12.667 -15.643 -20.442 1.00 62.10 H new ATOM 0 HA ASN A 67 -12.606 -18.453 -19.504 1.00 70.51 H new ATOM 0 HB2 ASN A 67 -11.145 -16.969 -21.683 1.00 22.34 H new ATOM 0 HB3 ASN A 67 -10.311 -18.265 -20.847 1.00 22.34 H new ATOM 0 HD21 ASN A 67 -11.768 -20.733 -22.846 1.00 41.12 H new ATOM 0 HD22 ASN A 67 -10.394 -20.143 -21.906 1.00 41.12 H new ATOM 1040 N LYS A 68 -10.995 -15.831 -18.523 1.00 2.13 N ATOM 1041 CA LYS A 68 -10.108 -15.294 -17.498 1.00 24.24 C ATOM 1042 C LYS A 68 -10.288 -13.786 -17.357 1.00 63.04 C ATOM 1043 O LYS A 68 -11.065 -13.174 -18.090 1.00 53.13 O ATOM 1044 CB LYS A 68 -8.650 -15.615 -17.836 1.00 71.14 C ATOM 1045 CG LYS A 68 -8.161 -14.949 -19.111 1.00 1.35 C ATOM 1046 CD LYS A 68 -8.511 -15.771 -20.340 1.00 1.34 C ATOM 1047 CE LYS A 68 -9.417 -14.999 -21.287 1.00 20.03 C ATOM 1048 NZ LYS A 68 -9.230 -15.423 -22.702 1.00 33.51 N ATOM 0 H LYS A 68 -11.506 -15.124 -19.051 1.00 2.13 H new ATOM 0 HA LYS A 68 -10.366 -15.763 -16.549 1.00 24.24 H new ATOM 0 HB2 LYS A 68 -8.016 -15.302 -17.006 1.00 71.14 H new ATOM 0 HB3 LYS A 68 -8.538 -16.695 -17.934 1.00 71.14 H new ATOM 0 HG2 LYS A 68 -8.605 -13.957 -19.197 1.00 1.35 H new ATOM 0 HG3 LYS A 68 -7.081 -14.812 -19.060 1.00 1.35 H new ATOM 0 HD2 LYS A 68 -7.597 -16.056 -20.861 1.00 1.34 H new ATOM 0 HD3 LYS A 68 -9.004 -16.693 -20.034 1.00 1.34 H new ATOM 0 HE2 LYS A 68 -10.457 -15.149 -20.997 1.00 20.03 H new ATOM 0 HE3 LYS A 68 -9.212 -13.932 -21.197 1.00 20.03 H new ATOM 0 HZ1 LYS A 68 -9.945 -14.962 -23.300 1.00 33.51 H new ATOM 0 HZ2 LYS A 68 -8.280 -15.149 -23.024 1.00 33.51 H new ATOM 0 HZ3 LYS A 68 -9.335 -16.455 -22.772 1.00 33.51 H new ATOM 1062 N ILE A 69 -9.564 -13.193 -16.414 1.00 20.52 N ATOM 1063 CA ILE A 69 -9.643 -11.757 -16.181 1.00 2.24 C ATOM 1064 C ILE A 69 -8.335 -11.067 -16.553 1.00 3.05 C ATOM 1065 O ILE A 69 -7.422 -10.965 -15.734 1.00 5.10 O ATOM 1066 CB ILE A 69 -9.976 -11.443 -14.710 1.00 43.40 C ATOM 1067 CG1 ILE A 69 -11.130 -12.323 -14.226 1.00 62.03 C ATOM 1068 CG2 ILE A 69 -10.322 -9.970 -14.548 1.00 62.04 C ATOM 1069 CD1 ILE A 69 -12.334 -12.298 -15.142 1.00 3.12 C ATOM 0 H ILE A 69 -8.916 -13.685 -15.799 1.00 20.52 H new ATOM 0 HA ILE A 69 -10.444 -11.378 -16.815 1.00 2.24 H new ATOM 0 HB ILE A 69 -9.099 -11.659 -14.100 1.00 43.40 H new ATOM 0 HG12 ILE A 69 -10.778 -13.350 -14.130 1.00 62.03 H new ATOM 0 HG13 ILE A 69 -11.433 -11.996 -13.231 1.00 62.03 H new ATOM 0 HG21 ILE A 69 -10.555 -9.764 -13.503 1.00 62.04 H new ATOM 0 HG22 ILE A 69 -9.473 -9.361 -14.858 1.00 62.04 H new ATOM 0 HG23 ILE A 69 -11.186 -9.729 -15.167 1.00 62.04 H new ATOM 0 HD11 ILE A 69 -13.113 -12.944 -14.737 1.00 3.12 H new ATOM 0 HD12 ILE A 69 -12.712 -11.278 -15.219 1.00 3.12 H new ATOM 0 HD13 ILE A 69 -12.046 -12.654 -16.131 1.00 3.12 H new ATOM 1081 N GLN A 70 -8.253 -10.594 -17.792 1.00 12.11 N ATOM 1082 CA GLN A 70 -7.057 -9.912 -18.272 1.00 22.23 C ATOM 1083 C GLN A 70 -7.050 -8.451 -17.834 1.00 32.31 C ATOM 1084 O GLN A 70 -7.747 -7.616 -18.411 1.00 63.34 O ATOM 1085 CB GLN A 70 -6.971 -10.000 -19.796 1.00 62.44 C ATOM 1086 CG GLN A 70 -5.620 -9.583 -20.355 1.00 21.13 C ATOM 1087 CD GLN A 70 -5.736 -8.520 -21.430 1.00 22.43 C ATOM 1088 OE1 GLN A 70 -5.579 -7.329 -21.161 1.00 25.14 O ATOM 1089 NE2 GLN A 70 -6.012 -8.947 -22.657 1.00 10.44 N ATOM 0 H GLN A 70 -9.000 -10.670 -18.482 1.00 12.11 H new ATOM 0 HA GLN A 70 -6.189 -10.407 -17.837 1.00 22.23 H new ATOM 0 HB2 GLN A 70 -7.182 -11.024 -20.105 1.00 62.44 H new ATOM 0 HB3 GLN A 70 -7.746 -9.369 -20.232 1.00 62.44 H new ATOM 0 HG2 GLN A 70 -4.996 -9.208 -19.544 1.00 21.13 H new ATOM 0 HG3 GLN A 70 -5.116 -10.457 -20.767 1.00 21.13 H new ATOM 0 HE21 GLN A 70 -6.134 -9.944 -22.835 1.00 10.44 H new ATOM 0 HE22 GLN A 70 -6.102 -8.278 -23.422 1.00 10.44 H new ATOM 1098 N PHE A 71 -6.259 -8.149 -16.810 1.00 33.44 N ATOM 1099 CA PHE A 71 -6.163 -6.789 -16.293 1.00 60.01 C ATOM 1100 C PHE A 71 -4.772 -6.211 -16.538 1.00 70.51 C ATOM 1101 O PHE A 71 -3.762 -6.854 -16.252 1.00 5.21 O ATOM 1102 CB PHE A 71 -6.481 -6.765 -14.797 1.00 32.23 C ATOM 1103 CG PHE A 71 -5.307 -7.115 -13.928 1.00 64.25 C ATOM 1104 CD1 PHE A 71 -4.784 -8.399 -13.931 1.00 51.45 C ATOM 1105 CD2 PHE A 71 -4.725 -6.161 -13.110 1.00 4.12 C ATOM 1106 CE1 PHE A 71 -3.704 -8.723 -13.133 1.00 21.31 C ATOM 1107 CE2 PHE A 71 -3.644 -6.480 -12.309 1.00 42.33 C ATOM 1108 CZ PHE A 71 -3.132 -7.762 -12.322 1.00 32.52 C ATOM 0 H PHE A 71 -5.675 -8.828 -16.322 1.00 33.44 H new ATOM 0 HA PHE A 71 -6.891 -6.174 -16.822 1.00 60.01 H new ATOM 0 HB2 PHE A 71 -6.840 -5.772 -14.526 1.00 32.23 H new ATOM 0 HB3 PHE A 71 -7.293 -7.464 -14.595 1.00 32.23 H new ATOM 0 HD1 PHE A 71 -5.226 -9.154 -14.564 1.00 51.45 H new ATOM 0 HD2 PHE A 71 -5.120 -5.156 -13.098 1.00 4.12 H new ATOM 0 HE1 PHE A 71 -3.307 -9.727 -13.143 1.00 21.31 H new ATOM 0 HE2 PHE A 71 -3.201 -5.727 -11.674 1.00 42.33 H new ATOM 0 HZ PHE A 71 -2.286 -8.013 -11.699 1.00 32.52 H new ATOM 1118 N VAL A 72 -4.729 -4.994 -17.070 1.00 65.24 N ATOM 1119 CA VAL A 72 -3.463 -4.329 -17.354 1.00 43.40 C ATOM 1120 C VAL A 72 -3.455 -2.906 -16.806 1.00 21.00 C ATOM 1121 O VAL A 72 -4.501 -2.264 -16.699 1.00 61.31 O ATOM 1122 CB VAL A 72 -3.178 -4.286 -18.867 1.00 43.31 C ATOM 1123 CG1 VAL A 72 -3.535 -5.614 -19.516 1.00 24.53 C ATOM 1124 CG2 VAL A 72 -3.940 -3.143 -19.520 1.00 41.51 C ATOM 0 H VAL A 72 -5.556 -4.449 -17.313 1.00 65.24 H new ATOM 0 HA VAL A 72 -2.683 -4.910 -16.862 1.00 43.40 H new ATOM 0 HB VAL A 72 -2.112 -4.113 -19.013 1.00 43.31 H new ATOM 0 HG11 VAL A 72 -3.327 -5.564 -20.585 1.00 24.53 H new ATOM 0 HG12 VAL A 72 -2.941 -6.410 -19.067 1.00 24.53 H new ATOM 0 HG13 VAL A 72 -4.594 -5.821 -19.362 1.00 24.53 H new ATOM 0 HG21 VAL A 72 -3.727 -3.127 -20.589 1.00 41.51 H new ATOM 0 HG22 VAL A 72 -5.010 -3.284 -19.365 1.00 41.51 H new ATOM 0 HG23 VAL A 72 -3.630 -2.198 -19.075 1.00 41.51 H new ATOM 1134 N LEU A 73 -2.269 -2.418 -16.460 1.00 41.22 N ATOM 1135 CA LEU A 73 -2.124 -1.069 -15.923 1.00 23.20 C ATOM 1136 C LEU A 73 -1.095 -0.273 -16.720 1.00 75.33 C ATOM 1137 O LEU A 73 -0.145 -0.837 -17.263 1.00 0.31 O ATOM 1138 CB LEU A 73 -1.711 -1.127 -14.451 1.00 71.01 C ATOM 1139 CG LEU A 73 -0.751 -2.253 -14.067 1.00 21.30 C ATOM 1140 CD1 LEU A 73 -1.457 -3.599 -14.123 1.00 30.04 C ATOM 1141 CD2 LEU A 73 0.467 -2.250 -14.979 1.00 42.01 C ATOM 0 H LEU A 73 -1.394 -2.936 -16.542 1.00 41.22 H new ATOM 0 HA LEU A 73 -3.088 -0.566 -16.005 1.00 23.20 H new ATOM 0 HB2 LEU A 73 -1.248 -0.176 -14.187 1.00 71.01 H new ATOM 0 HB3 LEU A 73 -2.612 -1.222 -13.845 1.00 71.01 H new ATOM 0 HG LEU A 73 -0.415 -2.084 -13.044 1.00 21.30 H new ATOM 0 HD11 LEU A 73 -0.758 -4.388 -13.847 1.00 30.04 H new ATOM 0 HD12 LEU A 73 -2.297 -3.598 -13.428 1.00 30.04 H new ATOM 0 HD13 LEU A 73 -1.823 -3.776 -15.134 1.00 30.04 H new ATOM 0 HD21 LEU A 73 1.139 -3.058 -14.691 1.00 42.01 H new ATOM 0 HD22 LEU A 73 0.149 -2.393 -16.012 1.00 42.01 H new ATOM 0 HD23 LEU A 73 0.987 -1.296 -14.889 1.00 42.01 H new ATOM 1153 N TRP A 74 -1.292 1.039 -16.785 1.00 25.42 N ATOM 1154 CA TRP A 74 -0.380 1.913 -17.514 1.00 65.41 C ATOM 1155 C TRP A 74 0.507 2.697 -16.554 1.00 2.24 C ATOM 1156 O TRP A 74 0.035 3.586 -15.844 1.00 13.02 O ATOM 1157 CB TRP A 74 -1.166 2.876 -18.404 1.00 52.11 C ATOM 1158 CG TRP A 74 -0.310 3.925 -19.046 1.00 43.04 C ATOM 1159 CD1 TRP A 74 0.457 3.783 -20.168 1.00 1.44 C ATOM 1160 CD2 TRP A 74 -0.132 5.275 -18.604 1.00 41.12 C ATOM 1161 NE1 TRP A 74 1.101 4.964 -20.449 1.00 1.10 N ATOM 1162 CE2 TRP A 74 0.756 5.895 -19.505 1.00 53.14 C ATOM 1163 CE3 TRP A 74 -0.637 6.021 -17.536 1.00 55.13 C ATOM 1164 CZ2 TRP A 74 1.147 7.224 -19.368 1.00 45.12 C ATOM 1165 CZ3 TRP A 74 -0.247 7.340 -17.401 1.00 75.14 C ATOM 1166 CH2 TRP A 74 0.637 7.931 -18.313 1.00 61.24 C ATOM 0 H TRP A 74 -2.074 1.521 -16.342 1.00 25.42 H new ATOM 0 HA TRP A 74 0.258 1.289 -18.140 1.00 65.41 H new ATOM 0 HB2 TRP A 74 -1.675 2.307 -19.182 1.00 52.11 H new ATOM 0 HB3 TRP A 74 -1.938 3.362 -17.808 1.00 52.11 H new ATOM 0 HD1 TRP A 74 0.544 2.876 -20.748 1.00 1.44 H new ATOM 0 HE1 TRP A 74 1.734 5.122 -21.233 1.00 1.10 H new ATOM 0 HE3 TRP A 74 -1.320 5.575 -16.828 1.00 55.13 H new ATOM 0 HZ2 TRP A 74 1.829 7.681 -20.070 1.00 45.12 H new ATOM 0 HZ3 TRP A 74 -0.630 7.925 -16.578 1.00 75.14 H new ATOM 0 HH2 TRP A 74 0.922 8.964 -18.181 1.00 61.24 H new ATOM 1177 N CYS A 75 1.793 2.364 -16.536 1.00 51.02 N ATOM 1178 CA CYS A 75 2.746 3.038 -15.661 1.00 52.13 C ATOM 1179 C CYS A 75 2.848 4.520 -16.008 1.00 32.11 C ATOM 1180 O CYS A 75 3.257 4.899 -17.105 1.00 43.33 O ATOM 1181 CB CYS A 75 4.122 2.381 -15.769 1.00 64.32 C ATOM 1182 SG CYS A 75 4.752 1.725 -14.206 1.00 73.12 S ATOM 0 H CYS A 75 2.200 1.631 -17.117 1.00 51.02 H new ATOM 0 HA CYS A 75 2.388 2.947 -14.636 1.00 52.13 H new ATOM 0 HB2 CYS A 75 4.070 1.571 -16.496 1.00 64.32 H new ATOM 0 HB3 CYS A 75 4.832 3.112 -16.157 1.00 64.32 H new ATOM 0 HG CYS A 75 5.920 1.187 -14.400 1.00 73.12 H new ATOM 1188 N PRO A 76 2.465 5.379 -15.052 1.00 5.24 N ATOM 1189 CA PRO A 76 2.504 6.833 -15.233 1.00 13.44 C ATOM 1190 C PRO A 76 3.929 7.374 -15.285 1.00 74.32 C ATOM 1191 O PRO A 76 4.788 6.961 -14.506 1.00 42.33 O ATOM 1192 CB PRO A 76 1.776 7.364 -13.995 1.00 11.20 C ATOM 1193 CG PRO A 76 1.950 6.299 -12.968 1.00 14.43 C ATOM 1194 CD PRO A 76 1.967 4.997 -13.720 1.00 11.33 C ATOM 0 HA PRO A 76 2.050 7.138 -16.176 1.00 13.44 H new ATOM 0 HB2 PRO A 76 2.202 8.310 -13.661 1.00 11.20 H new ATOM 0 HB3 PRO A 76 0.721 7.545 -14.203 1.00 11.20 H new ATOM 0 HG2 PRO A 76 2.877 6.441 -12.412 1.00 14.43 H new ATOM 0 HG3 PRO A 76 1.137 6.320 -12.242 1.00 14.43 H new ATOM 0 HD2 PRO A 76 2.618 4.265 -13.242 1.00 11.33 H new ATOM 0 HD3 PRO A 76 0.974 4.552 -13.775 1.00 11.33 H new ATOM 1202 N ASP A 77 4.172 8.298 -16.207 1.00 50.44 N ATOM 1203 CA ASP A 77 5.493 8.897 -16.360 1.00 61.44 C ATOM 1204 C ASP A 77 5.646 10.114 -15.455 1.00 4.54 C ATOM 1205 O ASP A 77 6.683 10.777 -15.459 1.00 71.02 O ATOM 1206 CB ASP A 77 5.730 9.296 -17.818 1.00 12.44 C ATOM 1207 CG ASP A 77 7.186 9.174 -18.222 1.00 54.04 C ATOM 1208 OD1 ASP A 77 8.051 9.691 -17.486 1.00 22.23 O ATOM 1209 OD2 ASP A 77 7.459 8.562 -19.276 1.00 44.34 O ATOM 0 H ASP A 77 3.472 8.649 -16.860 1.00 50.44 H new ATOM 0 HA ASP A 77 6.237 8.155 -16.069 1.00 61.44 H new ATOM 0 HB2 ASP A 77 5.122 8.666 -18.467 1.00 12.44 H new ATOM 0 HB3 ASP A 77 5.399 10.323 -17.969 1.00 12.44 H new ATOM 1214 N ASN A 78 4.606 10.404 -14.679 1.00 63.43 N ATOM 1215 CA ASN A 78 4.625 11.543 -13.769 1.00 52.01 C ATOM 1216 C ASN A 78 5.194 11.145 -12.411 1.00 35.14 C ATOM 1217 O ASN A 78 5.794 11.963 -11.714 1.00 35.43 O ATOM 1218 CB ASN A 78 3.213 12.109 -13.598 1.00 25.51 C ATOM 1219 CG ASN A 78 3.087 12.984 -12.366 1.00 40.23 C ATOM 1220 OD1 ASN A 78 3.528 14.134 -12.360 1.00 71.34 O ATOM 1221 ND2 ASN A 78 2.483 12.443 -11.315 1.00 74.21 N ATOM 0 H ASN A 78 3.740 9.866 -14.663 1.00 63.43 H new ATOM 0 HA ASN A 78 5.267 12.311 -14.201 1.00 52.01 H new ATOM 0 HB2 ASN A 78 2.948 12.690 -14.482 1.00 25.51 H new ATOM 0 HB3 ASN A 78 2.500 11.287 -13.531 1.00 25.51 H new ATOM 0 HD21 ASN A 78 2.369 12.984 -10.458 1.00 74.21 H new ATOM 0 HD22 ASN A 78 2.133 11.486 -11.365 1.00 74.21 H new ATOM 1228 N ALA A 79 5.001 9.883 -12.041 1.00 73.23 N ATOM 1229 CA ALA A 79 5.496 9.375 -10.768 1.00 43.21 C ATOM 1230 C ALA A 79 5.146 7.902 -10.591 1.00 23.41 C ATOM 1231 O ALA A 79 4.299 7.533 -9.777 1.00 4.43 O ATOM 1232 CB ALA A 79 4.933 10.196 -9.617 1.00 74.43 C ATOM 0 H ALA A 79 4.505 9.193 -12.606 1.00 73.23 H new ATOM 0 HA ALA A 79 6.582 9.465 -10.767 1.00 43.21 H new ATOM 0 HB1 ALA A 79 5.311 9.805 -8.672 1.00 74.43 H new ATOM 0 HB2 ALA A 79 5.239 11.236 -9.728 1.00 74.43 H new ATOM 0 HB3 ALA A 79 3.845 10.135 -9.625 1.00 74.43 H new ATOM 1238 N PRO A 80 5.812 7.037 -11.371 1.00 34.42 N ATOM 1239 CA PRO A 80 5.587 5.589 -11.318 1.00 61.12 C ATOM 1240 C PRO A 80 6.102 4.969 -10.024 1.00 1.13 C ATOM 1241 O PRO A 80 5.631 3.914 -9.598 1.00 43.14 O ATOM 1242 CB PRO A 80 6.382 5.063 -12.516 1.00 71.00 C ATOM 1243 CG PRO A 80 7.443 6.084 -12.744 1.00 72.44 C ATOM 1244 CD PRO A 80 6.835 7.405 -12.364 1.00 12.23 C ATOM 0 HA PRO A 80 4.526 5.340 -11.350 1.00 61.12 H new ATOM 0 HB2 PRO A 80 6.813 4.084 -12.306 1.00 71.00 H new ATOM 0 HB3 PRO A 80 5.746 4.950 -13.394 1.00 71.00 H new ATOM 0 HG2 PRO A 80 8.325 5.872 -12.139 1.00 72.44 H new ATOM 0 HG3 PRO A 80 7.764 6.087 -13.786 1.00 72.44 H new ATOM 0 HD2 PRO A 80 7.578 8.083 -11.943 1.00 12.23 H new ATOM 0 HD3 PRO A 80 6.396 7.908 -13.226 1.00 12.23 H new ATOM 1252 N VAL A 81 7.071 5.632 -9.400 1.00 65.54 N ATOM 1253 CA VAL A 81 7.649 5.146 -8.153 1.00 4.21 C ATOM 1254 C VAL A 81 6.562 4.799 -7.142 1.00 2.51 C ATOM 1255 O VAL A 81 6.767 3.974 -6.252 1.00 32.04 O ATOM 1256 CB VAL A 81 8.599 6.187 -7.532 1.00 4.42 C ATOM 1257 CG1 VAL A 81 7.878 7.510 -7.320 1.00 73.40 C ATOM 1258 CG2 VAL A 81 9.175 5.669 -6.223 1.00 31.04 C ATOM 0 H VAL A 81 7.472 6.507 -9.738 1.00 65.54 H new ATOM 0 HA VAL A 81 8.216 4.247 -8.396 1.00 4.21 H new ATOM 0 HB VAL A 81 9.424 6.357 -8.224 1.00 4.42 H new ATOM 0 HG11 VAL A 81 8.565 8.233 -6.880 1.00 73.40 H new ATOM 0 HG12 VAL A 81 7.519 7.886 -8.278 1.00 73.40 H new ATOM 0 HG13 VAL A 81 7.032 7.360 -6.649 1.00 73.40 H new ATOM 0 HG21 VAL A 81 9.844 6.418 -5.798 1.00 31.04 H new ATOM 0 HG22 VAL A 81 8.364 5.468 -5.523 1.00 31.04 H new ATOM 0 HG23 VAL A 81 9.730 4.750 -6.408 1.00 31.04 H new ATOM 1268 N LYS A 82 5.404 5.435 -7.285 1.00 43.32 N ATOM 1269 CA LYS A 82 4.282 5.194 -6.386 1.00 60.12 C ATOM 1270 C LYS A 82 3.541 3.917 -6.771 1.00 42.32 C ATOM 1271 O LYS A 82 3.511 2.939 -6.024 1.00 45.13 O ATOM 1272 CB LYS A 82 3.318 6.382 -6.410 1.00 2.40 C ATOM 1273 CG LYS A 82 3.383 7.243 -5.160 1.00 35.21 C ATOM 1274 CD LYS A 82 2.533 8.495 -5.300 1.00 70.24 C ATOM 1275 CE LYS A 82 2.320 9.178 -3.958 1.00 23.50 C ATOM 1276 NZ LYS A 82 1.927 10.605 -4.118 1.00 23.02 N ATOM 0 H LYS A 82 5.218 6.122 -8.016 1.00 43.32 H new ATOM 0 HA LYS A 82 4.677 5.074 -5.377 1.00 60.12 H new ATOM 0 HB2 LYS A 82 3.539 7.001 -7.279 1.00 2.40 H new ATOM 0 HB3 LYS A 82 2.300 6.011 -6.533 1.00 2.40 H new ATOM 0 HG2 LYS A 82 3.042 6.665 -4.301 1.00 35.21 H new ATOM 0 HG3 LYS A 82 4.418 7.525 -4.965 1.00 35.21 H new ATOM 0 HD2 LYS A 82 3.015 9.188 -5.989 1.00 70.24 H new ATOM 0 HD3 LYS A 82 1.568 8.234 -5.734 1.00 70.24 H new ATOM 0 HE2 LYS A 82 1.547 8.649 -3.400 1.00 23.50 H new ATOM 0 HE3 LYS A 82 3.236 9.117 -3.370 1.00 23.50 H new ATOM 0 HZ1 LYS A 82 1.791 11.035 -3.181 1.00 23.02 H new ATOM 0 HZ2 LYS A 82 2.675 11.116 -4.628 1.00 23.02 H new ATOM 0 HZ3 LYS A 82 1.039 10.662 -4.657 1.00 23.02 H new ATOM 1290 N PRO A 83 2.930 3.924 -7.965 1.00 14.11 N ATOM 1291 CA PRO A 83 2.180 2.773 -8.477 1.00 14.34 C ATOM 1292 C PRO A 83 3.088 1.604 -8.839 1.00 64.22 C ATOM 1293 O PRO A 83 2.886 0.481 -8.376 1.00 52.22 O ATOM 1294 CB PRO A 83 1.493 3.325 -9.728 1.00 43.45 C ATOM 1295 CG PRO A 83 2.356 4.458 -10.165 1.00 45.32 C ATOM 1296 CD PRO A 83 2.924 5.056 -8.907 1.00 73.32 C ATOM 0 HA PRO A 83 1.488 2.375 -7.735 1.00 14.34 H new ATOM 0 HB2 PRO A 83 1.415 2.564 -10.505 1.00 43.45 H new ATOM 0 HB3 PRO A 83 0.480 3.661 -9.508 1.00 43.45 H new ATOM 0 HG2 PRO A 83 3.151 4.111 -10.825 1.00 45.32 H new ATOM 0 HG3 PRO A 83 1.779 5.196 -10.722 1.00 45.32 H new ATOM 0 HD2 PRO A 83 3.927 5.451 -9.067 1.00 73.32 H new ATOM 0 HD3 PRO A 83 2.311 5.880 -8.541 1.00 73.32 H new ATOM 1304 N ARG A 84 4.090 1.874 -9.669 1.00 43.34 N ATOM 1305 CA ARG A 84 5.030 0.844 -10.094 1.00 72.35 C ATOM 1306 C ARG A 84 5.526 0.034 -8.900 1.00 35.10 C ATOM 1307 O ARG A 84 5.832 -1.151 -9.025 1.00 72.44 O ATOM 1308 CB ARG A 84 6.217 1.475 -10.824 1.00 51.20 C ATOM 1309 CG ARG A 84 7.109 0.464 -11.526 1.00 35.12 C ATOM 1310 CD ARG A 84 8.580 0.810 -11.362 1.00 1.15 C ATOM 1311 NE ARG A 84 9.022 1.800 -12.340 1.00 1.20 N ATOM 1312 CZ ARG A 84 10.188 2.432 -12.271 1.00 4.02 C ATOM 1313 NH1 ARG A 84 11.026 2.178 -11.275 1.00 33.14 N ATOM 1314 NH2 ARG A 84 10.520 3.320 -13.200 1.00 35.14 N ATOM 0 H ARG A 84 4.272 2.798 -10.061 1.00 43.34 H new ATOM 0 HA ARG A 84 4.509 0.172 -10.776 1.00 72.35 H new ATOM 0 HB2 ARG A 84 5.843 2.188 -11.558 1.00 51.20 H new ATOM 0 HB3 ARG A 84 6.815 2.039 -10.108 1.00 51.20 H new ATOM 0 HG2 ARG A 84 6.921 -0.531 -11.122 1.00 35.12 H new ATOM 0 HG3 ARG A 84 6.858 0.430 -12.586 1.00 35.12 H new ATOM 0 HD2 ARG A 84 8.752 1.192 -10.356 1.00 1.15 H new ATOM 0 HD3 ARG A 84 9.179 -0.095 -11.466 1.00 1.15 H new ATOM 0 HE ARG A 84 8.401 2.018 -13.119 1.00 1.20 H new ATOM 0 HH11 ARG A 84 10.776 1.496 -10.559 1.00 33.14 H new ATOM 0 HH12 ARG A 84 11.921 2.665 -11.225 1.00 33.14 H new ATOM 0 HH21 ARG A 84 9.879 3.518 -13.968 1.00 35.14 H new ATOM 0 HH22 ARG A 84 11.416 3.804 -13.145 1.00 35.14 H new ATOM 1328 N MET A 85 5.602 0.683 -7.743 1.00 21.34 N ATOM 1329 CA MET A 85 6.060 0.022 -6.526 1.00 1.43 C ATOM 1330 C MET A 85 4.912 -0.711 -5.840 1.00 14.42 C ATOM 1331 O MET A 85 5.005 -1.905 -5.555 1.00 23.04 O ATOM 1332 CB MET A 85 6.674 1.043 -5.566 1.00 43.41 C ATOM 1333 CG MET A 85 8.091 1.450 -5.937 1.00 2.10 C ATOM 1334 SD MET A 85 9.291 0.138 -5.637 1.00 4.40 S ATOM 1335 CE MET A 85 10.673 1.083 -4.999 1.00 41.23 C ATOM 0 H MET A 85 5.353 1.665 -7.622 1.00 21.34 H new ATOM 0 HA MET A 85 6.820 -0.709 -6.803 1.00 1.43 H new ATOM 0 HB2 MET A 85 6.044 1.932 -5.542 1.00 43.41 H new ATOM 0 HB3 MET A 85 6.676 0.627 -4.559 1.00 43.41 H new ATOM 0 HG2 MET A 85 8.121 1.730 -6.990 1.00 2.10 H new ATOM 0 HG3 MET A 85 8.373 2.333 -5.364 1.00 2.10 H new ATOM 0 HE1 MET A 85 11.498 0.409 -4.766 1.00 41.23 H new ATOM 0 HE2 MET A 85 10.996 1.806 -5.748 1.00 41.23 H new ATOM 0 HE3 MET A 85 10.367 1.609 -4.095 1.00 41.23 H new ATOM 1345 N THR A 86 3.827 0.012 -5.577 1.00 1.14 N ATOM 1346 CA THR A 86 2.661 -0.569 -4.923 1.00 24.11 C ATOM 1347 C THR A 86 2.104 -1.737 -5.729 1.00 4.01 C ATOM 1348 O THR A 86 2.052 -2.868 -5.246 1.00 31.33 O ATOM 1349 CB THR A 86 1.550 0.478 -4.722 1.00 74.12 C ATOM 1350 OG1 THR A 86 1.284 1.153 -5.957 1.00 34.13 O ATOM 1351 CG2 THR A 86 1.946 1.492 -3.659 1.00 63.54 C ATOM 0 H THR A 86 3.732 1.001 -5.807 1.00 1.14 H new ATOM 0 HA THR A 86 2.991 -0.929 -3.948 1.00 24.11 H new ATOM 0 HB THR A 86 0.650 -0.039 -4.390 1.00 74.12 H new ATOM 0 HG1 THR A 86 1.956 1.852 -6.099 1.00 34.13 H new ATOM 0 HG21 THR A 86 1.145 2.221 -3.535 1.00 63.54 H new ATOM 0 HG22 THR A 86 2.119 0.979 -2.713 1.00 63.54 H new ATOM 0 HG23 THR A 86 2.858 2.004 -3.966 1.00 63.54 H new ATOM 1359 N TYR A 87 1.690 -1.456 -6.959 1.00 61.23 N ATOM 1360 CA TYR A 87 1.135 -2.484 -7.832 1.00 0.00 C ATOM 1361 C TYR A 87 2.076 -3.681 -7.931 1.00 41.45 C ATOM 1362 O TYR A 87 1.656 -4.789 -8.263 1.00 2.20 O ATOM 1363 CB TYR A 87 0.871 -1.911 -9.226 1.00 22.34 C ATOM 1364 CG TYR A 87 1.855 -2.385 -10.271 1.00 63.02 C ATOM 1365 CD1 TYR A 87 3.191 -2.008 -10.218 1.00 24.23 C ATOM 1366 CD2 TYR A 87 1.449 -3.211 -11.312 1.00 53.44 C ATOM 1367 CE1 TYR A 87 4.094 -2.438 -11.171 1.00 74.13 C ATOM 1368 CE2 TYR A 87 2.344 -3.647 -12.270 1.00 3.43 C ATOM 1369 CZ TYR A 87 3.665 -3.257 -12.195 1.00 64.31 C ATOM 1370 OH TYR A 87 4.561 -3.689 -13.146 1.00 43.13 O ATOM 0 H TYR A 87 1.728 -0.525 -7.374 1.00 61.23 H new ATOM 0 HA TYR A 87 0.192 -2.821 -7.401 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.137 -2.185 -9.537 1.00 22.34 H new ATOM 0 HB3 TYR A 87 0.904 -0.823 -9.175 1.00 22.34 H new ATOM 0 HD1 TYR A 87 3.530 -1.367 -9.417 1.00 24.23 H new ATOM 0 HD2 TYR A 87 0.415 -3.518 -11.373 1.00 53.44 H new ATOM 0 HE1 TYR A 87 5.129 -2.135 -11.115 1.00 74.13 H new ATOM 0 HE2 TYR A 87 2.012 -4.289 -13.072 1.00 3.43 H new ATOM 0 HH TYR A 87 4.257 -4.543 -13.518 1.00 43.13 H new ATOM 1380 N ALA A 88 3.352 -3.447 -7.641 1.00 31.50 N ATOM 1381 CA ALA A 88 4.353 -4.505 -7.695 1.00 22.35 C ATOM 1382 C ALA A 88 4.042 -5.607 -6.688 1.00 32.53 C ATOM 1383 O ALA A 88 3.829 -6.761 -7.062 1.00 1.24 O ATOM 1384 CB ALA A 88 5.740 -3.933 -7.441 1.00 51.31 C ATOM 0 H ALA A 88 3.716 -2.535 -7.366 1.00 31.50 H new ATOM 0 HA ALA A 88 4.329 -4.943 -8.693 1.00 22.35 H new ATOM 0 HB1 ALA A 88 6.478 -4.734 -7.484 1.00 51.31 H new ATOM 0 HB2 ALA A 88 5.970 -3.186 -8.201 1.00 51.31 H new ATOM 0 HB3 ALA A 88 5.767 -3.468 -6.456 1.00 51.31 H new ATOM 1390 N SER A 89 4.017 -5.245 -5.409 1.00 64.11 N ATOM 1391 CA SER A 89 3.736 -6.205 -4.348 1.00 4.22 C ATOM 1392 C SER A 89 2.233 -6.357 -4.137 1.00 61.45 C ATOM 1393 O SER A 89 1.740 -7.455 -3.879 1.00 34.12 O ATOM 1394 CB SER A 89 4.403 -5.764 -3.043 1.00 63.33 C ATOM 1395 OG SER A 89 5.753 -6.191 -2.991 1.00 65.22 O ATOM 0 H SER A 89 4.188 -4.294 -5.083 1.00 64.11 H new ATOM 0 HA SER A 89 4.143 -7.171 -4.648 1.00 4.22 H new ATOM 0 HB2 SER A 89 4.358 -4.678 -2.957 1.00 63.33 H new ATOM 0 HB3 SER A 89 3.856 -6.174 -2.194 1.00 63.33 H new ATOM 0 HG SER A 89 6.157 -5.895 -2.149 1.00 65.22 H new ATOM 1401 N SER A 90 1.510 -5.248 -4.250 1.00 44.44 N ATOM 1402 CA SER A 90 0.064 -5.256 -4.069 1.00 55.31 C ATOM 1403 C SER A 90 -0.585 -6.339 -4.925 1.00 72.31 C ATOM 1404 O SER A 90 -1.684 -6.808 -4.627 1.00 51.23 O ATOM 1405 CB SER A 90 -0.524 -3.889 -4.425 1.00 50.20 C ATOM 1406 OG SER A 90 -1.771 -3.686 -3.782 1.00 64.42 O ATOM 0 H SER A 90 1.903 -4.332 -4.466 1.00 44.44 H new ATOM 0 HA SER A 90 -0.144 -5.472 -3.021 1.00 55.31 H new ATOM 0 HB2 SER A 90 0.172 -3.103 -4.132 1.00 50.20 H new ATOM 0 HB3 SER A 90 -0.652 -3.815 -5.505 1.00 50.20 H new ATOM 0 HG SER A 90 -1.830 -2.760 -3.468 1.00 64.42 H new ATOM 1412 N LYS A 91 0.103 -6.733 -5.991 1.00 63.40 N ATOM 1413 CA LYS A 91 -0.403 -7.762 -6.892 1.00 24.44 C ATOM 1414 C LYS A 91 -0.856 -8.993 -6.112 1.00 41.32 C ATOM 1415 O LYS A 91 -1.916 -9.556 -6.384 1.00 53.25 O ATOM 1416 CB LYS A 91 0.674 -8.156 -7.906 1.00 20.15 C ATOM 1417 CG LYS A 91 0.183 -8.163 -9.343 1.00 13.23 C ATOM 1418 CD LYS A 91 0.169 -6.763 -9.934 1.00 64.21 C ATOM 1419 CE LYS A 91 -0.894 -5.893 -9.282 1.00 41.31 C ATOM 1420 NZ LYS A 91 -1.315 -4.773 -10.169 1.00 62.23 N ATOM 0 H LYS A 91 1.014 -6.355 -6.252 1.00 63.40 H new ATOM 0 HA LYS A 91 -1.262 -7.353 -7.424 1.00 24.44 H new ATOM 0 HB2 LYS A 91 1.512 -7.464 -7.821 1.00 20.15 H new ATOM 0 HB3 LYS A 91 1.052 -9.147 -7.655 1.00 20.15 H new ATOM 0 HG2 LYS A 91 0.825 -8.807 -9.945 1.00 13.23 H new ATOM 0 HG3 LYS A 91 -0.821 -8.586 -9.384 1.00 13.23 H new ATOM 0 HD2 LYS A 91 1.148 -6.302 -9.803 1.00 64.21 H new ATOM 0 HD3 LYS A 91 -0.015 -6.822 -11.007 1.00 64.21 H new ATOM 0 HE2 LYS A 91 -1.761 -6.505 -9.033 1.00 41.31 H new ATOM 0 HE3 LYS A 91 -0.509 -5.490 -8.346 1.00 41.31 H new ATOM 0 HZ1 LYS A 91 -2.250 -4.427 -9.872 1.00 62.23 H new ATOM 0 HZ2 LYS A 91 -0.623 -3.999 -10.104 1.00 62.23 H new ATOM 0 HZ3 LYS A 91 -1.367 -5.109 -11.152 1.00 62.23 H new ATOM 1434 N ASP A 92 -0.047 -9.404 -5.142 1.00 12.53 N ATOM 1435 CA ASP A 92 -0.367 -10.566 -4.321 1.00 3.22 C ATOM 1436 C ASP A 92 -1.800 -10.489 -3.805 1.00 75.55 C ATOM 1437 O ASP A 92 -2.414 -11.510 -3.495 1.00 20.00 O ATOM 1438 CB ASP A 92 0.606 -10.669 -3.145 1.00 61.52 C ATOM 1439 CG ASP A 92 1.910 -11.341 -3.530 1.00 50.51 C ATOM 1440 OD1 ASP A 92 2.710 -10.710 -4.252 1.00 25.40 O ATOM 1441 OD2 ASP A 92 2.130 -12.496 -3.110 1.00 75.21 O ATOM 0 H ASP A 92 0.835 -8.950 -4.905 1.00 12.53 H new ATOM 0 HA ASP A 92 -0.271 -11.456 -4.942 1.00 3.22 H new ATOM 0 HB2 ASP A 92 0.815 -9.670 -2.761 1.00 61.52 H new ATOM 0 HB3 ASP A 92 0.136 -11.230 -2.337 1.00 61.52 H new ATOM 1446 N ALA A 93 -2.328 -9.273 -3.716 1.00 41.13 N ATOM 1447 CA ALA A 93 -3.689 -9.063 -3.240 1.00 33.55 C ATOM 1448 C ALA A 93 -4.654 -8.867 -4.404 1.00 14.54 C ATOM 1449 O ALA A 93 -5.621 -9.615 -4.556 1.00 0.24 O ATOM 1450 CB ALA A 93 -3.741 -7.868 -2.300 1.00 55.20 C ATOM 0 H ALA A 93 -1.833 -8.417 -3.968 1.00 41.13 H new ATOM 0 HA ALA A 93 -3.998 -9.954 -2.693 1.00 33.55 H new ATOM 0 HB1 ALA A 93 -4.764 -7.723 -1.952 1.00 55.20 H new ATOM 0 HB2 ALA A 93 -3.089 -8.049 -1.445 1.00 55.20 H new ATOM 0 HB3 ALA A 93 -3.407 -6.975 -2.828 1.00 55.20 H new ATOM 1456 N LEU A 94 -4.387 -7.855 -5.223 1.00 33.43 N ATOM 1457 CA LEU A 94 -5.233 -7.559 -6.374 1.00 31.31 C ATOM 1458 C LEU A 94 -5.521 -8.823 -7.178 1.00 22.44 C ATOM 1459 O LEU A 94 -6.677 -9.212 -7.351 1.00 23.20 O ATOM 1460 CB LEU A 94 -4.564 -6.514 -7.268 1.00 22.10 C ATOM 1461 CG LEU A 94 -4.587 -5.075 -6.752 1.00 33.04 C ATOM 1462 CD1 LEU A 94 -5.961 -4.728 -6.200 1.00 33.45 C ATOM 1463 CD2 LEU A 94 -3.517 -4.872 -5.689 1.00 61.02 C ATOM 0 H LEU A 94 -3.592 -7.226 -5.111 1.00 33.43 H new ATOM 0 HA LEU A 94 -6.179 -7.162 -6.006 1.00 31.31 H new ATOM 0 HB2 LEU A 94 -3.525 -6.807 -7.421 1.00 22.10 H new ATOM 0 HB3 LEU A 94 -5.049 -6.536 -8.244 1.00 22.10 H new ATOM 0 HG LEU A 94 -4.373 -4.407 -7.586 1.00 33.04 H new ATOM 0 HD11 LEU A 94 -5.958 -3.700 -5.837 1.00 33.45 H new ATOM 0 HD12 LEU A 94 -6.707 -4.833 -6.988 1.00 33.45 H new ATOM 0 HD13 LEU A 94 -6.204 -5.402 -5.378 1.00 33.45 H new ATOM 0 HD21 LEU A 94 -3.548 -3.842 -5.333 1.00 61.02 H new ATOM 0 HD22 LEU A 94 -3.700 -5.550 -4.855 1.00 61.02 H new ATOM 0 HD23 LEU A 94 -2.536 -5.079 -6.116 1.00 61.02 H new ATOM 1475 N LEU A 95 -4.463 -9.462 -7.665 1.00 23.25 N ATOM 1476 CA LEU A 95 -4.601 -10.685 -8.448 1.00 41.34 C ATOM 1477 C LEU A 95 -5.381 -11.742 -7.675 1.00 34.44 C ATOM 1478 O LEU A 95 -6.111 -12.543 -8.260 1.00 31.24 O ATOM 1479 CB LEU A 95 -3.223 -11.228 -8.829 1.00 63.41 C ATOM 1480 CG LEU A 95 -2.681 -10.790 -10.190 1.00 61.22 C ATOM 1481 CD1 LEU A 95 -1.182 -11.036 -10.272 1.00 74.25 C ATOM 1482 CD2 LEU A 95 -3.405 -11.519 -11.312 1.00 73.34 C ATOM 0 H LEU A 95 -3.500 -9.153 -7.531 1.00 23.25 H new ATOM 0 HA LEU A 95 -5.154 -10.445 -9.356 1.00 41.34 H new ATOM 0 HB2 LEU A 95 -2.510 -10.925 -8.062 1.00 63.41 H new ATOM 0 HB3 LEU A 95 -3.266 -12.317 -8.811 1.00 63.41 H new ATOM 0 HG LEU A 95 -2.860 -9.721 -10.304 1.00 61.22 H new ATOM 0 HD11 LEU A 95 -0.814 -10.718 -11.248 1.00 74.25 H new ATOM 0 HD12 LEU A 95 -0.677 -10.468 -9.491 1.00 74.25 H new ATOM 0 HD13 LEU A 95 -0.980 -12.098 -10.136 1.00 74.25 H new ATOM 0 HD21 LEU A 95 -3.006 -11.195 -12.273 1.00 73.34 H new ATOM 0 HD22 LEU A 95 -3.258 -12.593 -11.202 1.00 73.34 H new ATOM 0 HD23 LEU A 95 -4.470 -11.292 -11.266 1.00 73.34 H new ATOM 1494 N LYS A 96 -5.225 -11.739 -6.355 1.00 43.52 N ATOM 1495 CA LYS A 96 -5.917 -12.695 -5.499 1.00 43.32 C ATOM 1496 C LYS A 96 -7.339 -12.229 -5.202 1.00 63.43 C ATOM 1497 O LYS A 96 -8.138 -12.969 -4.628 1.00 30.01 O ATOM 1498 CB LYS A 96 -5.148 -12.888 -4.190 1.00 52.10 C ATOM 1499 CG LYS A 96 -4.353 -14.181 -4.137 1.00 5.31 C ATOM 1500 CD LYS A 96 -3.558 -14.400 -5.414 1.00 14.42 C ATOM 1501 CE LYS A 96 -2.546 -13.287 -5.638 1.00 41.11 C ATOM 1502 NZ LYS A 96 -1.918 -13.372 -6.986 1.00 0.13 N ATOM 0 H LYS A 96 -4.624 -11.084 -5.855 1.00 43.52 H new ATOM 0 HA LYS A 96 -5.968 -13.647 -6.027 1.00 43.32 H new ATOM 0 HB2 LYS A 96 -4.468 -12.047 -4.050 1.00 52.10 H new ATOM 0 HB3 LYS A 96 -5.852 -12.870 -3.358 1.00 52.10 H new ATOM 0 HG2 LYS A 96 -3.674 -14.157 -3.284 1.00 5.31 H new ATOM 0 HG3 LYS A 96 -5.031 -15.020 -3.981 1.00 5.31 H new ATOM 0 HD2 LYS A 96 -3.041 -15.358 -5.362 1.00 14.42 H new ATOM 0 HD3 LYS A 96 -4.239 -14.451 -6.264 1.00 14.42 H new ATOM 0 HE2 LYS A 96 -3.038 -12.321 -5.527 1.00 41.11 H new ATOM 0 HE3 LYS A 96 -1.772 -13.340 -4.873 1.00 41.11 H new ATOM 0 HZ1 LYS A 96 -1.599 -12.427 -7.281 1.00 0.13 H new ATOM 0 HZ2 LYS A 96 -1.103 -14.016 -6.949 1.00 0.13 H new ATOM 0 HZ3 LYS A 96 -2.613 -13.732 -7.671 1.00 0.13 H new ATOM 1516 N LYS A 97 -7.649 -11.000 -5.598 1.00 43.43 N ATOM 1517 CA LYS A 97 -8.975 -10.436 -5.378 1.00 11.34 C ATOM 1518 C LYS A 97 -9.798 -10.463 -6.661 1.00 54.14 C ATOM 1519 O LYS A 97 -10.598 -9.562 -6.917 1.00 51.34 O ATOM 1520 CB LYS A 97 -8.862 -8.999 -4.862 1.00 62.22 C ATOM 1521 CG LYS A 97 -8.943 -8.887 -3.350 1.00 20.54 C ATOM 1522 CD LYS A 97 -7.900 -9.758 -2.669 1.00 44.15 C ATOM 1523 CE LYS A 97 -8.537 -10.721 -1.679 1.00 43.32 C ATOM 1524 NZ LYS A 97 -7.514 -11.494 -0.921 1.00 52.22 N ATOM 0 H LYS A 97 -6.999 -10.374 -6.074 1.00 43.43 H new ATOM 0 HA LYS A 97 -9.481 -11.046 -4.630 1.00 11.34 H new ATOM 0 HB2 LYS A 97 -7.916 -8.574 -5.199 1.00 62.22 H new ATOM 0 HB3 LYS A 97 -9.657 -8.399 -5.305 1.00 62.22 H new ATOM 0 HG2 LYS A 97 -8.800 -7.848 -3.053 1.00 20.54 H new ATOM 0 HG3 LYS A 97 -9.938 -9.180 -3.015 1.00 20.54 H new ATOM 0 HD2 LYS A 97 -7.347 -10.321 -3.421 1.00 44.15 H new ATOM 0 HD3 LYS A 97 -7.179 -9.126 -2.151 1.00 44.15 H new ATOM 0 HE2 LYS A 97 -9.162 -10.164 -0.981 1.00 43.32 H new ATOM 0 HE3 LYS A 97 -9.191 -11.410 -2.213 1.00 43.32 H new ATOM 0 HZ1 LYS A 97 -7.952 -11.915 -0.077 1.00 52.22 H new ATOM 0 HZ2 LYS A 97 -7.131 -12.249 -1.525 1.00 52.22 H new ATOM 0 HZ3 LYS A 97 -6.743 -10.859 -0.631 1.00 52.22 H new ATOM 1538 N LEU A 98 -9.599 -11.502 -7.465 1.00 31.14 N ATOM 1539 CA LEU A 98 -10.325 -11.648 -8.722 1.00 4.42 C ATOM 1540 C LEU A 98 -10.725 -13.101 -8.954 1.00 42.15 C ATOM 1541 O LEU A 98 -10.416 -13.977 -8.147 1.00 34.25 O ATOM 1542 CB LEU A 98 -9.469 -11.149 -9.888 1.00 20.42 C ATOM 1543 CG LEU A 98 -8.620 -9.907 -9.615 1.00 21.44 C ATOM 1544 CD1 LEU A 98 -7.496 -9.795 -10.633 1.00 2.33 C ATOM 1545 CD2 LEU A 98 -9.485 -8.656 -9.632 1.00 0.42 C ATOM 0 H LEU A 98 -8.941 -12.256 -7.269 1.00 31.14 H new ATOM 0 HA LEU A 98 -11.232 -11.047 -8.662 1.00 4.42 H new ATOM 0 HB2 LEU A 98 -8.806 -11.957 -10.197 1.00 20.42 H new ATOM 0 HB3 LEU A 98 -10.127 -10.937 -10.731 1.00 20.42 H new ATOM 0 HG LEU A 98 -8.176 -10.004 -8.624 1.00 21.44 H new ATOM 0 HD11 LEU A 98 -6.902 -8.905 -10.423 1.00 2.33 H new ATOM 0 HD12 LEU A 98 -6.860 -10.678 -10.572 1.00 2.33 H new ATOM 0 HD13 LEU A 98 -7.919 -9.721 -11.635 1.00 2.33 H new ATOM 0 HD21 LEU A 98 -8.864 -7.782 -9.436 1.00 0.42 H new ATOM 0 HD22 LEU A 98 -9.958 -8.554 -10.609 1.00 0.42 H new ATOM 0 HD23 LEU A 98 -10.254 -8.735 -8.863 1.00 0.42 H new ATOM 1557 N ASP A 99 -11.411 -13.350 -10.064 1.00 52.43 N ATOM 1558 CA ASP A 99 -11.851 -14.698 -10.406 1.00 1.54 C ATOM 1559 C ASP A 99 -11.429 -15.064 -11.825 1.00 51.42 C ATOM 1560 O ASP A 99 -12.055 -14.643 -12.797 1.00 63.24 O ATOM 1561 CB ASP A 99 -13.370 -14.812 -10.266 1.00 23.21 C ATOM 1562 CG ASP A 99 -13.956 -15.875 -11.174 1.00 60.12 C ATOM 1563 OD1 ASP A 99 -13.411 -16.998 -11.201 1.00 32.31 O ATOM 1564 OD2 ASP A 99 -14.959 -15.584 -11.859 1.00 10.51 O ATOM 0 H ASP A 99 -11.675 -12.636 -10.743 1.00 52.43 H new ATOM 0 HA ASP A 99 -11.377 -15.395 -9.715 1.00 1.54 H new ATOM 0 HB2 ASP A 99 -13.620 -15.044 -9.231 1.00 23.21 H new ATOM 0 HB3 ASP A 99 -13.827 -13.849 -10.496 1.00 23.21 H new ATOM 1569 N GLY A 100 -10.362 -15.850 -11.936 1.00 53.42 N ATOM 1570 CA GLY A 100 -9.874 -16.258 -13.241 1.00 13.15 C ATOM 1571 C GLY A 100 -8.695 -15.427 -13.705 1.00 2.45 C ATOM 1572 O GLY A 100 -8.121 -15.687 -14.761 1.00 61.05 O ATOM 0 H GLY A 100 -9.827 -16.211 -11.146 1.00 53.42 H new ATOM 0 HA2 GLY A 100 -9.583 -17.308 -13.205 1.00 13.15 H new ATOM 0 HA3 GLY A 100 -10.681 -16.176 -13.969 1.00 13.15 H new ATOM 1576 N ALA A 101 -8.333 -14.422 -12.913 1.00 60.11 N ATOM 1577 CA ALA A 101 -7.214 -13.550 -13.249 1.00 31.14 C ATOM 1578 C ALA A 101 -5.923 -14.348 -13.402 1.00 14.42 C ATOM 1579 O ALA A 101 -5.391 -14.881 -12.428 1.00 31.22 O ATOM 1580 CB ALA A 101 -7.048 -12.473 -12.187 1.00 52.54 C ATOM 0 H ALA A 101 -8.798 -14.192 -12.035 1.00 60.11 H new ATOM 0 HA ALA A 101 -7.431 -13.073 -14.205 1.00 31.14 H new ATOM 0 HB1 ALA A 101 -6.209 -11.829 -12.450 1.00 52.54 H new ATOM 0 HB2 ALA A 101 -7.959 -11.877 -12.128 1.00 52.54 H new ATOM 0 HB3 ALA A 101 -6.857 -12.941 -11.221 1.00 52.54 H new ATOM 1586 N THR A 102 -5.424 -14.426 -14.631 1.00 41.14 N ATOM 1587 CA THR A 102 -4.197 -15.160 -14.912 1.00 45.14 C ATOM 1588 C THR A 102 -3.003 -14.217 -15.011 1.00 64.40 C ATOM 1589 O THR A 102 -3.102 -13.038 -14.676 1.00 1.53 O ATOM 1590 CB THR A 102 -4.310 -15.965 -16.221 1.00 13.31 C ATOM 1591 OG1 THR A 102 -4.199 -15.087 -17.347 1.00 25.20 O ATOM 1592 CG2 THR A 102 -5.634 -16.712 -16.283 1.00 41.13 C ATOM 0 H THR A 102 -5.851 -13.990 -15.448 1.00 41.14 H new ATOM 0 HA THR A 102 -4.045 -15.850 -14.082 1.00 45.14 H new ATOM 0 HB THR A 102 -3.498 -16.692 -16.246 1.00 13.31 H new ATOM 0 HG1 THR A 102 -4.270 -15.606 -18.175 1.00 25.20 H new ATOM 0 HG21 THR A 102 -5.692 -17.273 -17.216 1.00 41.13 H new ATOM 0 HG22 THR A 102 -5.703 -17.400 -15.440 1.00 41.13 H new ATOM 0 HG23 THR A 102 -6.457 -15.999 -16.237 1.00 41.13 H new ATOM 1600 N ALA A 103 -1.874 -14.746 -15.474 1.00 13.52 N ATOM 1601 CA ALA A 103 -0.662 -13.950 -15.619 1.00 44.11 C ATOM 1602 C ALA A 103 -0.595 -13.297 -16.996 1.00 31.04 C ATOM 1603 O ALA A 103 0.463 -12.836 -17.425 1.00 13.34 O ATOM 1604 CB ALA A 103 0.568 -14.814 -15.383 1.00 21.12 C ATOM 0 H ALA A 103 -1.774 -15.722 -15.755 1.00 13.52 H new ATOM 0 HA ALA A 103 -0.686 -13.158 -14.871 1.00 44.11 H new ATOM 0 HB1 ALA A 103 1.466 -14.207 -15.495 1.00 21.12 H new ATOM 0 HB2 ALA A 103 0.533 -15.229 -14.376 1.00 21.12 H new ATOM 0 HB3 ALA A 103 0.587 -15.626 -16.110 1.00 21.12 H new ATOM 1610 N VAL A 104 -1.731 -13.262 -17.684 1.00 54.15 N ATOM 1611 CA VAL A 104 -1.802 -12.665 -19.013 1.00 10.02 C ATOM 1612 C VAL A 104 -1.894 -11.146 -18.928 1.00 52.43 C ATOM 1613 O VAL A 104 -2.065 -10.467 -19.940 1.00 53.34 O ATOM 1614 CB VAL A 104 -3.011 -13.198 -19.804 1.00 61.53 C ATOM 1615 CG1 VAL A 104 -4.308 -12.646 -19.235 1.00 14.43 C ATOM 1616 CG2 VAL A 104 -2.876 -12.852 -21.279 1.00 72.14 C ATOM 0 H VAL A 104 -2.615 -13.640 -17.344 1.00 54.15 H new ATOM 0 HA VAL A 104 -0.886 -12.942 -19.534 1.00 10.02 H new ATOM 0 HB VAL A 104 -3.035 -14.284 -19.709 1.00 61.53 H new ATOM 0 HG11 VAL A 104 -5.151 -13.034 -19.807 1.00 14.43 H new ATOM 0 HG12 VAL A 104 -4.406 -12.950 -18.193 1.00 14.43 H new ATOM 0 HG13 VAL A 104 -4.298 -11.558 -19.296 1.00 14.43 H new ATOM 0 HG21 VAL A 104 -3.739 -13.236 -21.823 1.00 72.14 H new ATOM 0 HG22 VAL A 104 -2.826 -11.769 -21.396 1.00 72.14 H new ATOM 0 HG23 VAL A 104 -1.966 -13.302 -21.677 1.00 72.14 H new ATOM 1626 N ALA A 105 -1.779 -10.618 -17.714 1.00 51.10 N ATOM 1627 CA ALA A 105 -1.847 -9.178 -17.497 1.00 61.12 C ATOM 1628 C ALA A 105 -0.781 -8.450 -18.309 1.00 52.13 C ATOM 1629 O ALA A 105 0.103 -9.076 -18.895 1.00 43.10 O ATOM 1630 CB ALA A 105 -1.695 -8.859 -16.017 1.00 62.52 C ATOM 0 H ALA A 105 -1.638 -11.166 -16.865 1.00 51.10 H new ATOM 0 HA ALA A 105 -2.824 -8.831 -17.834 1.00 61.12 H new ATOM 0 HB1 ALA A 105 -1.748 -7.780 -15.870 1.00 62.52 H new ATOM 0 HB2 ALA A 105 -2.496 -9.341 -15.457 1.00 62.52 H new ATOM 0 HB3 ALA A 105 -0.732 -9.227 -15.663 1.00 62.52 H new ATOM 1636 N LEU A 106 -0.871 -7.125 -18.341 1.00 51.12 N ATOM 1637 CA LEU A 106 0.086 -6.311 -19.083 1.00 13.33 C ATOM 1638 C LEU A 106 0.456 -5.056 -18.298 1.00 65.31 C ATOM 1639 O LEU A 106 -0.376 -4.484 -17.596 1.00 10.22 O ATOM 1640 CB LEU A 106 -0.493 -5.922 -20.444 1.00 62.14 C ATOM 1641 CG LEU A 106 0.483 -5.950 -21.621 1.00 4.41 C ATOM 1642 CD1 LEU A 106 1.568 -4.899 -21.440 1.00 13.35 C ATOM 1643 CD2 LEU A 106 1.099 -7.333 -21.771 1.00 72.21 C ATOM 0 H LEU A 106 -1.596 -6.591 -17.862 1.00 51.12 H new ATOM 0 HA LEU A 106 0.989 -6.903 -19.235 1.00 13.33 H new ATOM 0 HB2 LEU A 106 -1.322 -6.593 -20.669 1.00 62.14 H new ATOM 0 HB3 LEU A 106 -0.908 -4.917 -20.366 1.00 62.14 H new ATOM 0 HG LEU A 106 -0.070 -5.720 -22.532 1.00 4.41 H new ATOM 0 HD11 LEU A 106 2.253 -4.934 -22.287 1.00 13.35 H new ATOM 0 HD12 LEU A 106 1.111 -3.911 -21.383 1.00 13.35 H new ATOM 0 HD13 LEU A 106 2.118 -5.098 -20.520 1.00 13.35 H new ATOM 0 HD21 LEU A 106 1.791 -7.334 -22.613 1.00 72.21 H new ATOM 0 HD22 LEU A 106 1.637 -7.592 -20.859 1.00 72.21 H new ATOM 0 HD23 LEU A 106 0.311 -8.065 -21.948 1.00 72.21 H new ATOM 1655 N GLU A 107 1.711 -4.634 -18.425 1.00 73.20 N ATOM 1656 CA GLU A 107 2.190 -3.446 -17.728 1.00 64.44 C ATOM 1657 C GLU A 107 3.216 -2.697 -18.574 1.00 2.02 C ATOM 1658 O GLU A 107 4.397 -3.042 -18.586 1.00 24.03 O ATOM 1659 CB GLU A 107 2.807 -3.832 -16.382 1.00 15.41 C ATOM 1660 CG GLU A 107 3.837 -4.944 -16.480 1.00 33.30 C ATOM 1661 CD GLU A 107 3.398 -6.209 -15.768 1.00 64.42 C ATOM 1662 OE1 GLU A 107 2.581 -6.959 -16.342 1.00 70.41 O ATOM 1663 OE2 GLU A 107 3.872 -6.450 -14.638 1.00 41.42 O ATOM 0 H GLU A 107 2.413 -5.096 -19.003 1.00 73.20 H new ATOM 0 HA GLU A 107 1.338 -2.789 -17.554 1.00 64.44 H new ATOM 0 HB2 GLU A 107 3.276 -2.952 -15.941 1.00 15.41 H new ATOM 0 HB3 GLU A 107 2.012 -4.143 -15.704 1.00 15.41 H new ATOM 0 HG2 GLU A 107 4.025 -5.169 -17.530 1.00 33.30 H new ATOM 0 HG3 GLU A 107 4.779 -4.600 -16.054 1.00 33.30 H new ATOM 1670 N ALA A 108 2.755 -1.670 -19.280 1.00 42.03 N ATOM 1671 CA ALA A 108 3.632 -0.871 -20.127 1.00 53.33 C ATOM 1672 C ALA A 108 3.214 0.596 -20.121 1.00 75.30 C ATOM 1673 O ALA A 108 2.032 0.914 -19.984 1.00 11.23 O ATOM 1674 CB ALA A 108 3.633 -1.415 -21.548 1.00 72.21 C ATOM 0 H ALA A 108 1.780 -1.372 -19.282 1.00 42.03 H new ATOM 0 HA ALA A 108 4.643 -0.936 -19.724 1.00 53.33 H new ATOM 0 HB1 ALA A 108 4.292 -0.809 -22.169 1.00 72.21 H new ATOM 0 HB2 ALA A 108 3.987 -2.446 -21.543 1.00 72.21 H new ATOM 0 HB3 ALA A 108 2.621 -1.381 -21.951 1.00 72.21 H new ATOM 1680 N HIS A 109 4.190 1.485 -20.270 1.00 11.52 N ATOM 1681 CA HIS A 109 3.922 2.919 -20.281 1.00 43.31 C ATOM 1682 C HIS A 109 4.106 3.495 -21.682 1.00 5.32 C ATOM 1683 O HIS A 109 5.229 3.764 -22.109 1.00 74.45 O ATOM 1684 CB HIS A 109 4.844 3.639 -19.296 1.00 13.12 C ATOM 1685 CG HIS A 109 6.286 3.264 -19.442 1.00 4.53 C ATOM 1686 ND1 HIS A 109 7.197 4.032 -20.138 1.00 35.42 N ATOM 1687 CD2 HIS A 109 6.976 2.197 -18.975 1.00 14.25 C ATOM 1688 CE1 HIS A 109 8.383 3.452 -20.094 1.00 74.41 C ATOM 1689 NE2 HIS A 109 8.276 2.337 -19.394 1.00 32.14 N ATOM 0 H HIS A 109 5.173 1.238 -20.385 1.00 11.52 H new ATOM 0 HA HIS A 109 2.887 3.073 -19.977 1.00 43.31 H new ATOM 0 HB2 HIS A 109 4.741 4.715 -19.435 1.00 13.12 H new ATOM 0 HB3 HIS A 109 4.520 3.417 -18.279 1.00 13.12 H new ATOM 0 HD2 HIS A 109 6.578 1.386 -18.383 1.00 14.25 H new ATOM 0 HE1 HIS A 109 9.287 3.826 -20.552 1.00 74.41 H new ATOM 0 HE2 HIS A 109 9.036 1.686 -19.197 1.00 32.14 H new ATOM 1697 N GLU A 110 2.997 3.682 -22.390 1.00 63.45 N ATOM 1698 CA GLU A 110 3.038 4.224 -23.743 1.00 40.14 C ATOM 1699 C GLU A 110 1.660 4.720 -24.172 1.00 41.14 C ATOM 1700 O GLU A 110 0.649 4.386 -23.556 1.00 30.13 O ATOM 1701 CB GLU A 110 3.540 3.165 -24.727 1.00 32.43 C ATOM 1702 CG GLU A 110 3.009 1.770 -24.441 1.00 62.35 C ATOM 1703 CD GLU A 110 3.288 0.797 -25.571 1.00 5.11 C ATOM 1704 OE1 GLU A 110 2.529 0.804 -26.562 1.00 34.54 O ATOM 1705 OE2 GLU A 110 4.268 0.030 -25.463 1.00 72.53 O ATOM 0 H GLU A 110 2.060 3.466 -22.050 1.00 63.45 H new ATOM 0 HA GLU A 110 3.727 5.068 -23.747 1.00 40.14 H new ATOM 0 HB2 GLU A 110 3.252 3.454 -25.738 1.00 32.43 H new ATOM 0 HB3 GLU A 110 4.629 3.143 -24.700 1.00 32.43 H new ATOM 0 HG2 GLU A 110 3.461 1.394 -23.523 1.00 62.35 H new ATOM 0 HG3 GLU A 110 1.934 1.823 -24.269 1.00 62.35 H new ATOM 1712 N MET A 111 1.630 5.520 -25.233 1.00 74.24 N ATOM 1713 CA MET A 111 0.376 6.062 -25.746 1.00 23.43 C ATOM 1714 C MET A 111 -0.320 5.055 -26.656 1.00 24.40 C ATOM 1715 O MET A 111 -1.540 5.079 -26.806 1.00 53.33 O ATOM 1716 CB MET A 111 0.632 7.363 -26.507 1.00 42.54 C ATOM 1717 CG MET A 111 -0.574 7.857 -27.289 1.00 51.25 C ATOM 1718 SD MET A 111 -0.305 9.478 -28.031 1.00 41.43 S ATOM 1719 CE MET A 111 -1.747 9.612 -29.085 1.00 62.05 C ATOM 0 H MET A 111 2.458 5.807 -25.754 1.00 74.24 H new ATOM 0 HA MET A 111 -0.276 6.268 -24.897 1.00 23.43 H new ATOM 0 HB2 MET A 111 0.937 8.134 -25.800 1.00 42.54 H new ATOM 0 HB3 MET A 111 1.465 7.214 -27.195 1.00 42.54 H new ATOM 0 HG2 MET A 111 -0.813 7.138 -28.073 1.00 51.25 H new ATOM 0 HG3 MET A 111 -1.438 7.904 -26.626 1.00 51.25 H new ATOM 0 HE1 MET A 111 -1.724 10.565 -29.613 1.00 62.05 H new ATOM 0 HE2 MET A 111 -1.746 8.796 -29.808 1.00 62.05 H new ATOM 0 HE3 MET A 111 -2.649 9.556 -28.476 1.00 62.05 H new ATOM 1729 N GLY A 112 0.466 4.169 -27.262 1.00 1.31 N ATOM 1730 CA GLY A 112 -0.093 3.167 -28.150 1.00 61.01 C ATOM 1731 C GLY A 112 -0.933 2.143 -27.413 1.00 53.20 C ATOM 1732 O GLY A 112 -1.661 1.366 -28.032 1.00 24.25 O ATOM 0 H GLY A 112 1.479 4.128 -27.153 1.00 1.31 H new ATOM 0 HA2 GLY A 112 -0.705 3.658 -28.907 1.00 61.01 H new ATOM 0 HA3 GLY A 112 0.716 2.659 -28.675 1.00 61.01 H new ATOM 1736 N ASP A 113 -0.833 2.141 -26.088 1.00 62.24 N ATOM 1737 CA ASP A 113 -1.589 1.204 -25.266 1.00 15.11 C ATOM 1738 C ASP A 113 -3.086 1.486 -25.358 1.00 61.33 C ATOM 1739 O ASP A 113 -3.906 0.568 -25.302 1.00 42.23 O ATOM 1740 CB ASP A 113 -1.131 1.286 -23.809 1.00 14.41 C ATOM 1741 CG ASP A 113 -2.085 0.585 -22.862 1.00 23.52 C ATOM 1742 OD1 ASP A 113 -2.231 -0.650 -22.975 1.00 61.30 O ATOM 1743 OD2 ASP A 113 -2.685 1.270 -22.008 1.00 13.22 O ATOM 0 H ASP A 113 -0.236 2.778 -25.561 1.00 62.24 H new ATOM 0 HA ASP A 113 -1.403 0.198 -25.641 1.00 15.11 H new ATOM 0 HB2 ASP A 113 -0.140 0.841 -23.717 1.00 14.41 H new ATOM 0 HB3 ASP A 113 -1.039 2.333 -23.518 1.00 14.41 H new ATOM 1748 N LEU A 114 -3.435 2.760 -25.499 1.00 33.41 N ATOM 1749 CA LEU A 114 -4.834 3.163 -25.598 1.00 63.00 C ATOM 1750 C LEU A 114 -5.208 3.479 -27.042 1.00 51.44 C ATOM 1751 O LEU A 114 -6.288 4.003 -27.314 1.00 33.14 O ATOM 1752 CB LEU A 114 -5.097 4.382 -24.712 1.00 74.21 C ATOM 1753 CG LEU A 114 -4.452 4.356 -23.326 1.00 13.20 C ATOM 1754 CD1 LEU A 114 -3.084 5.018 -23.362 1.00 3.41 C ATOM 1755 CD2 LEU A 114 -5.351 5.041 -22.307 1.00 33.54 C ATOM 0 H LEU A 114 -2.769 3.531 -25.547 1.00 33.41 H new ATOM 0 HA LEU A 114 -5.452 2.333 -25.256 1.00 63.00 H new ATOM 0 HB2 LEU A 114 -4.746 5.270 -25.237 1.00 74.21 H new ATOM 0 HB3 LEU A 114 -6.174 4.490 -24.587 1.00 74.21 H new ATOM 0 HG LEU A 114 -4.322 3.316 -23.026 1.00 13.20 H new ATOM 0 HD11 LEU A 114 -2.640 4.990 -22.367 1.00 3.41 H new ATOM 0 HD12 LEU A 114 -2.440 4.485 -24.062 1.00 3.41 H new ATOM 0 HD13 LEU A 114 -3.190 6.054 -23.683 1.00 3.41 H new ATOM 0 HD21 LEU A 114 -4.876 5.013 -21.326 1.00 33.54 H new ATOM 0 HD22 LEU A 114 -5.512 6.078 -22.603 1.00 33.54 H new ATOM 0 HD23 LEU A 114 -6.309 4.523 -22.261 1.00 33.54 H new