USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 958 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 THR OG1 : rot -105:sc= 0.872 USER MOD Set 1.2: A 83 MET CE :methyl 174:sc= -0.981 (180deg=-1.16) USER MOD Set 2.1: A 27 ASN : amide:sc= -0.834 K(o=-3.9,f=-0.64) USER MOD Set 2.2: A 32 GLN : amide:sc= -3.08 K(o=-3.9,f=-0.58) USER MOD Set 3.1: A 2 SER OG : rot 90:sc= 1.43 USER MOD Set 3.2: A 72 GLN : amide:sc= -0.225 K(o=1.8,f=-4) USER MOD Set 3.3: A 111 LYS NZ :NH3+ 170:sc= 0.636 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= 0 (180deg=-0.118) USER MOD Single : A 3 GLN : amide:sc= -0.591 X(o=-0.59,f=-0.39) USER MOD Single : A 4 ASN : amide:sc= -1.2 K(o=-1.2,f=-0.53) USER MOD Single : A 6 GLN : amide:sc= -1.6 K(o=-1.6,f=-4) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -129:sc= -4.68! (180deg=-8.33!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -74:sc= 0.13 USER MOD Single : A 25 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.033) USER MOD Single : A 31 SER OG : rot -54:sc= 0.169 USER MOD Single : A 37 GLN : amide:sc= -0.0944 K(o=-0.094,f=-1.2) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -66:sc= -5.17! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.264 USER MOD Single : A 51 ASN : amide:sc= -3.55! C(o=-3.6!,f=-1.9!) USER MOD Single : A 53 CYS SG : rot 170:sc= -0.354 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -90:sc= 1.08 USER MOD Single : A 77 LYS NZ :NH3+ -136:sc= 0.441 (180deg=-0.00111) USER MOD Single : A 85 ASN : amide:sc= -0.598 K(o=-0.6,f=-1.3!) USER MOD Single : A 86 ASN : amide:sc= -0.317 K(o=-0.32,f=-3.9!) USER MOD Single : A 87 CYS SG : rot 180:sc= -0.308 USER MOD Single : A 91 ASN : amide:sc= -0.034 X(o=-0.034,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot -7:sc= -0.464! USER MOD Single : A 117 SER OG : rot 178:sc= 0.0958 USER MOD Single : A 118 GLN : amide:sc= -0.601 K(o=-0.6,f=-0.068) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.719 -0.155 -2.236 1.00 63.23 N ATOM 2 CA MET A 1 0.359 0.382 -0.930 1.00 15.35 C ATOM 3 C MET A 1 1.578 0.974 -0.229 1.00 71.34 C ATOM 4 O MET A 1 1.744 0.823 0.981 1.00 65.22 O ATOM 5 CB MET A 1 -0.264 -0.711 -0.059 1.00 2.23 C ATOM 6 CG MET A 1 -1.723 -0.988 -0.382 1.00 61.30 C ATOM 7 SD MET A 1 -2.678 -1.464 1.071 1.00 31.13 S ATOM 8 CE MET A 1 -3.668 0.007 1.322 1.00 12.24 C ATOM 0 H1 MET A 1 -0.080 -0.699 -2.620 1.00 63.23 H new ATOM 0 H2 MET A 1 0.947 0.627 -2.882 1.00 63.23 H new ATOM 0 H3 MET A 1 1.547 -0.777 -2.139 1.00 63.23 H new ATOM 0 HA MET A 1 -0.372 1.177 -1.081 1.00 15.35 H new ATOM 0 HB2 MET A 1 0.308 -1.631 -0.181 1.00 2.23 H new ATOM 0 HB3 MET A 1 -0.181 -0.421 0.988 1.00 2.23 H new ATOM 0 HG2 MET A 1 -2.167 -0.098 -0.829 1.00 61.30 H new ATOM 0 HG3 MET A 1 -1.782 -1.782 -1.127 1.00 61.30 H new ATOM 0 HE1 MET A 1 -4.314 -0.133 2.189 1.00 12.24 H new ATOM 0 HE2 MET A 1 -3.013 0.862 1.492 1.00 12.24 H new ATOM 0 HE3 MET A 1 -4.280 0.189 0.439 1.00 12.24 H new ATOM 18 N SER A 2 2.428 1.647 -0.998 1.00 71.25 N ATOM 19 CA SER A 2 3.634 2.257 -0.452 1.00 42.22 C ATOM 20 C SER A 2 3.284 3.314 0.591 1.00 72.10 C ATOM 21 O SER A 2 2.132 3.429 1.010 1.00 25.42 O ATOM 22 CB SER A 2 4.465 2.886 -1.572 1.00 62.04 C ATOM 23 OG SER A 2 4.040 2.425 -2.843 1.00 51.11 O ATOM 0 H SER A 2 2.303 1.783 -2.001 1.00 71.25 H new ATOM 0 HA SER A 2 4.220 1.475 0.031 1.00 42.22 H new ATOM 0 HB2 SER A 2 4.378 3.972 -1.528 1.00 62.04 H new ATOM 0 HB3 SER A 2 5.518 2.644 -1.427 1.00 62.04 H new ATOM 0 HG SER A 2 3.342 3.019 -3.190 1.00 51.11 H new ATOM 29 N GLN A 3 4.286 4.083 1.005 1.00 73.22 N ATOM 30 CA GLN A 3 4.084 5.130 2.000 1.00 61.35 C ATOM 31 C GLN A 3 4.457 6.496 1.435 1.00 51.54 C ATOM 32 O GLN A 3 5.508 6.657 0.815 1.00 35.01 O ATOM 33 CB GLN A 3 4.913 4.839 3.252 1.00 52.00 C ATOM 34 CG GLN A 3 4.141 5.024 4.549 1.00 60.34 C ATOM 35 CD GLN A 3 3.278 6.270 4.542 1.00 71.15 C ATOM 36 OE1 GLN A 3 2.056 6.192 4.408 1.00 2.32 O ATOM 37 NE2 GLN A 3 3.910 7.429 4.686 1.00 72.14 N ATOM 0 H GLN A 3 5.245 4.001 0.667 1.00 73.22 H new ATOM 0 HA GLN A 3 3.027 5.144 2.268 1.00 61.35 H new ATOM 0 HB2 GLN A 3 5.284 3.815 3.202 1.00 52.00 H new ATOM 0 HB3 GLN A 3 5.785 5.494 3.261 1.00 52.00 H new ATOM 0 HG2 GLN A 3 3.511 4.151 4.720 1.00 60.34 H new ATOM 0 HG3 GLN A 3 4.843 5.078 5.381 1.00 60.34 H new ATOM 0 HE21 GLN A 3 4.924 7.447 4.794 1.00 72.14 H new ATOM 0 HE22 GLN A 3 3.381 8.301 4.689 1.00 72.14 H new ATOM 46 N ASN A 4 3.588 7.478 1.653 1.00 42.42 N ATOM 47 CA ASN A 4 3.826 8.832 1.164 1.00 22.13 C ATOM 48 C ASN A 4 4.539 9.673 2.219 1.00 42.25 C ATOM 49 O ASN A 4 3.929 10.525 2.865 1.00 52.04 O ATOM 50 CB ASN A 4 2.504 9.496 0.775 1.00 72.32 C ATOM 51 CG ASN A 4 1.443 9.346 1.848 1.00 24.15 C ATOM 52 OD1 ASN A 4 1.257 10.234 2.681 1.00 61.23 O ATOM 53 ND2 ASN A 4 0.743 8.218 1.834 1.00 15.04 N ATOM 0 H ASN A 4 2.713 7.362 2.165 1.00 42.42 H new ATOM 0 HA ASN A 4 4.465 8.767 0.283 1.00 22.13 H new ATOM 0 HB2 ASN A 4 2.675 10.555 0.583 1.00 72.32 H new ATOM 0 HB3 ASN A 4 2.141 9.058 -0.155 1.00 72.32 H new ATOM 0 HD21 ASN A 4 0.017 8.060 2.532 1.00 15.04 H new ATOM 0 HD22 ASN A 4 0.931 7.510 1.125 1.00 15.04 H new ATOM 60 N ARG A 5 5.835 9.428 2.386 1.00 13.31 N ATOM 61 CA ARG A 5 6.631 10.163 3.362 1.00 60.40 C ATOM 62 C ARG A 5 8.121 10.019 3.066 1.00 1.22 C ATOM 63 O ARG A 5 8.754 10.944 2.558 1.00 0.44 O ATOM 64 CB ARG A 5 6.331 9.663 4.776 1.00 14.34 C ATOM 65 CG ARG A 5 7.100 10.402 5.859 1.00 11.13 C ATOM 66 CD ARG A 5 7.074 9.643 7.177 1.00 43.40 C ATOM 67 NE ARG A 5 6.143 10.237 8.132 1.00 32.03 N ATOM 68 CZ ARG A 5 5.891 9.722 9.330 1.00 21.45 C ATOM 69 NH1 ARG A 5 6.499 8.609 9.718 1.00 34.21 N ATOM 70 NH2 ARG A 5 5.030 10.320 10.144 1.00 43.11 N ATOM 0 H ARG A 5 6.355 8.727 1.859 1.00 13.31 H new ATOM 0 HA ARG A 5 6.364 11.217 3.292 1.00 60.40 H new ATOM 0 HB2 ARG A 5 5.263 9.763 4.968 1.00 14.34 H new ATOM 0 HB3 ARG A 5 6.568 8.601 4.835 1.00 14.34 H new ATOM 0 HG2 ARG A 5 8.133 10.545 5.540 1.00 11.13 H new ATOM 0 HG3 ARG A 5 6.670 11.393 6.000 1.00 11.13 H new ATOM 0 HD2 ARG A 5 6.792 8.606 6.993 1.00 43.40 H new ATOM 0 HD3 ARG A 5 8.075 9.629 7.607 1.00 43.40 H new ATOM 0 HE ARG A 5 5.660 11.094 7.864 1.00 32.03 H new ATOM 0 HH11 ARG A 5 7.162 8.147 9.096 1.00 34.21 H new ATOM 0 HH12 ARG A 5 6.304 8.216 10.639 1.00 34.21 H new ATOM 0 HH21 ARG A 5 4.561 11.176 9.850 1.00 43.11 H new ATOM 0 HH22 ARG A 5 4.838 9.923 11.064 1.00 43.11 H new ATOM 84 N GLN A 6 8.674 8.854 3.388 1.00 35.01 N ATOM 85 CA GLN A 6 10.089 8.591 3.158 1.00 61.32 C ATOM 86 C GLN A 6 10.290 7.225 2.510 1.00 24.30 C ATOM 87 O GLN A 6 9.463 6.325 2.663 1.00 0.23 O ATOM 88 CB GLN A 6 10.864 8.663 4.475 1.00 72.02 C ATOM 89 CG GLN A 6 10.940 7.334 5.210 1.00 52.44 C ATOM 90 CD GLN A 6 9.572 6.749 5.501 1.00 51.42 C ATOM 91 OE1 GLN A 6 8.661 7.456 5.934 1.00 41.05 O ATOM 92 NE2 GLN A 6 9.420 5.452 5.264 1.00 22.43 N ATOM 0 H GLN A 6 8.164 8.078 3.809 1.00 35.01 H new ATOM 0 HA GLN A 6 10.469 9.355 2.479 1.00 61.32 H new ATOM 0 HB2 GLN A 6 11.876 9.015 4.273 1.00 72.02 H new ATOM 0 HB3 GLN A 6 10.393 9.401 5.124 1.00 72.02 H new ATOM 0 HG2 GLN A 6 11.514 6.625 4.613 1.00 52.44 H new ATOM 0 HG3 GLN A 6 11.479 7.472 6.147 1.00 52.44 H new ATOM 0 HE21 GLN A 6 10.202 4.904 4.905 1.00 22.43 H new ATOM 0 HE22 GLN A 6 8.521 5.003 5.441 1.00 22.43 H new ATOM 101 N LEU A 7 11.394 7.076 1.786 1.00 50.03 N ATOM 102 CA LEU A 7 11.704 5.819 1.114 1.00 64.04 C ATOM 103 C LEU A 7 12.908 5.139 1.759 1.00 14.10 C ATOM 104 O LEU A 7 13.992 5.717 1.838 1.00 3.25 O ATOM 105 CB LEU A 7 11.979 6.066 -0.371 1.00 23.12 C ATOM 106 CG LEU A 7 10.795 5.860 -1.316 1.00 62.31 C ATOM 107 CD1 LEU A 7 10.645 4.388 -1.671 1.00 2.53 C ATOM 108 CD2 LEU A 7 9.514 6.393 -0.691 1.00 24.23 C ATOM 0 H LEU A 7 12.089 7.810 1.649 1.00 50.03 H new ATOM 0 HA LEU A 7 10.841 5.160 1.213 1.00 64.04 H new ATOM 0 HB2 LEU A 7 12.338 7.088 -0.488 1.00 23.12 H new ATOM 0 HB3 LEU A 7 12.788 5.406 -0.685 1.00 23.12 H new ATOM 0 HG LEU A 7 10.986 6.416 -2.234 1.00 62.31 H new ATOM 0 HD11 LEU A 7 9.797 4.261 -2.344 1.00 2.53 H new ATOM 0 HD12 LEU A 7 11.553 4.037 -2.161 1.00 2.53 H new ATOM 0 HD13 LEU A 7 10.477 3.810 -0.762 1.00 2.53 H new ATOM 0 HD21 LEU A 7 8.682 6.238 -1.378 1.00 24.23 H new ATOM 0 HD22 LEU A 7 9.317 5.865 0.242 1.00 24.23 H new ATOM 0 HD23 LEU A 7 9.624 7.458 -0.489 1.00 24.23 H new ATOM 120 N LEU A 8 12.709 3.908 2.217 1.00 24.10 N ATOM 121 CA LEU A 8 13.779 3.147 2.854 1.00 50.12 C ATOM 122 C LEU A 8 15.031 3.133 1.982 1.00 14.12 C ATOM 123 O LEU A 8 16.053 3.720 2.337 1.00 23.32 O ATOM 124 CB LEU A 8 13.319 1.714 3.128 1.00 13.44 C ATOM 125 CG LEU A 8 14.061 0.972 4.240 1.00 3.31 C ATOM 126 CD1 LEU A 8 15.512 0.738 3.849 1.00 41.03 C ATOM 127 CD2 LEU A 8 13.978 1.748 5.547 1.00 61.42 C ATOM 0 H LEU A 8 11.818 3.416 2.159 1.00 24.10 H new ATOM 0 HA LEU A 8 14.022 3.631 3.800 1.00 50.12 H new ATOM 0 HB2 LEU A 8 12.258 1.736 3.378 1.00 13.44 H new ATOM 0 HB3 LEU A 8 13.418 1.140 2.207 1.00 13.44 H new ATOM 0 HG LEU A 8 13.584 0.003 4.385 1.00 3.31 H new ATOM 0 HD11 LEU A 8 16.024 0.209 4.652 1.00 41.03 H new ATOM 0 HD12 LEU A 8 15.552 0.141 2.938 1.00 41.03 H new ATOM 0 HD13 LEU A 8 16.001 1.697 3.676 1.00 41.03 H new ATOM 0 HD21 LEU A 8 14.512 1.205 6.327 1.00 61.42 H new ATOM 0 HD22 LEU A 8 14.430 2.731 5.416 1.00 61.42 H new ATOM 0 HD23 LEU A 8 12.933 1.864 5.835 1.00 61.42 H new ATOM 139 N TYR A 9 14.942 2.462 0.840 1.00 71.54 N ATOM 140 CA TYR A 9 16.067 2.371 -0.083 1.00 62.11 C ATOM 141 C TYR A 9 15.676 1.612 -1.347 1.00 75.12 C ATOM 142 O TYR A 9 16.049 0.456 -1.549 1.00 52.23 O ATOM 143 CB TYR A 9 17.253 1.681 0.592 1.00 25.05 C ATOM 144 CG TYR A 9 18.597 2.146 0.078 1.00 23.25 C ATOM 145 CD1 TYR A 9 18.921 3.496 0.044 1.00 52.54 C ATOM 146 CD2 TYR A 9 19.544 1.234 -0.371 1.00 62.35 C ATOM 147 CE1 TYR A 9 20.147 3.925 -0.426 1.00 0.40 C ATOM 148 CE2 TYR A 9 20.774 1.653 -0.841 1.00 54.54 C ATOM 149 CZ TYR A 9 21.070 3.000 -0.867 1.00 41.31 C ATOM 150 OH TYR A 9 22.293 3.424 -1.334 1.00 63.52 O ATOM 0 H TYR A 9 14.102 1.973 0.531 1.00 71.54 H new ATOM 0 HA TYR A 9 16.355 3.384 -0.364 1.00 62.11 H new ATOM 0 HB2 TYR A 9 17.203 1.859 1.666 1.00 25.05 H new ATOM 0 HB3 TYR A 9 17.169 0.604 0.443 1.00 25.05 H new ATOM 0 HD1 TYR A 9 18.202 4.223 0.391 1.00 52.54 H new ATOM 0 HD2 TYR A 9 19.315 0.179 -0.352 1.00 62.35 H new ATOM 0 HE1 TYR A 9 20.381 4.979 -0.448 1.00 0.40 H new ATOM 0 HE2 TYR A 9 21.499 0.930 -1.186 1.00 54.54 H new ATOM 0 HH TYR A 9 22.827 2.648 -1.605 1.00 63.52 H new ATOM 160 N PRO A 10 14.905 2.277 -2.220 1.00 75.04 N ATOM 161 CA PRO A 10 14.445 1.686 -3.481 1.00 45.30 C ATOM 162 C PRO A 10 15.582 1.496 -4.480 1.00 31.23 C ATOM 163 O PRO A 10 16.227 2.460 -4.892 1.00 13.10 O ATOM 164 CB PRO A 10 13.438 2.711 -4.007 1.00 13.51 C ATOM 165 CG PRO A 10 13.857 4.003 -3.394 1.00 54.21 C ATOM 166 CD PRO A 10 14.422 3.657 -2.044 1.00 41.14 C ATOM 0 HA PRO A 10 14.024 0.691 -3.335 1.00 45.30 H new ATOM 0 HB2 PRO A 10 13.459 2.764 -5.096 1.00 13.51 H new ATOM 0 HB3 PRO A 10 12.420 2.449 -3.720 1.00 13.51 H new ATOM 0 HG2 PRO A 10 14.602 4.505 -4.012 1.00 54.21 H new ATOM 0 HG3 PRO A 10 13.010 4.683 -3.300 1.00 54.21 H new ATOM 0 HD2 PRO A 10 15.229 4.332 -1.761 1.00 41.14 H new ATOM 0 HD3 PRO A 10 13.664 3.721 -1.263 1.00 41.14 H new ATOM 174 N ARG A 11 15.822 0.247 -4.865 1.00 32.31 N ATOM 175 CA ARG A 11 16.881 -0.070 -5.815 1.00 44.31 C ATOM 176 C ARG A 11 16.948 -1.572 -6.074 1.00 44.14 C ATOM 177 O ARG A 11 17.246 -2.006 -7.187 1.00 32.24 O ATOM 178 CB ARG A 11 18.230 0.429 -5.293 1.00 12.15 C ATOM 179 CG ARG A 11 18.470 0.111 -3.826 1.00 21.32 C ATOM 180 CD ARG A 11 19.946 -0.123 -3.541 1.00 75.00 C ATOM 181 NE ARG A 11 20.149 -1.073 -2.451 1.00 34.23 N ATOM 182 CZ ARG A 11 21.342 -1.527 -2.084 1.00 1.43 C ATOM 183 NH1 ARG A 11 22.433 -1.118 -2.717 1.00 23.25 N ATOM 184 NH2 ARG A 11 21.446 -2.390 -1.081 1.00 53.05 N ATOM 0 H ARG A 11 15.297 -0.562 -4.533 1.00 32.31 H new ATOM 0 HA ARG A 11 16.654 0.433 -6.755 1.00 44.31 H new ATOM 0 HB2 ARG A 11 19.028 -0.016 -5.888 1.00 12.15 H new ATOM 0 HB3 ARG A 11 18.289 1.508 -5.437 1.00 12.15 H new ATOM 0 HG2 ARG A 11 18.105 0.933 -3.210 1.00 21.32 H new ATOM 0 HG3 ARG A 11 17.899 -0.775 -3.546 1.00 21.32 H new ATOM 0 HD2 ARG A 11 20.435 -0.495 -4.442 1.00 75.00 H new ATOM 0 HD3 ARG A 11 20.421 0.825 -3.289 1.00 75.00 H new ATOM 0 HE ARG A 11 19.329 -1.406 -1.943 1.00 34.23 H new ATOM 0 HH11 ARG A 11 22.357 -0.454 -3.487 1.00 23.25 H new ATOM 0 HH12 ARG A 11 23.348 -1.468 -2.434 1.00 23.25 H new ATOM 0 HH21 ARG A 11 20.609 -2.706 -0.591 1.00 53.05 H new ATOM 0 HH22 ARG A 11 22.363 -2.738 -0.800 1.00 53.05 H new ATOM 198 N GLU A 12 16.670 -2.359 -5.040 1.00 2.13 N ATOM 199 CA GLU A 12 16.701 -3.812 -5.156 1.00 74.13 C ATOM 200 C GLU A 12 15.835 -4.283 -6.322 1.00 4.40 C ATOM 201 O GLU A 12 16.100 -5.323 -6.923 1.00 74.13 O ATOM 202 CB GLU A 12 16.220 -4.460 -3.856 1.00 64.42 C ATOM 203 CG GLU A 12 16.556 -5.939 -3.753 1.00 51.21 C ATOM 204 CD GLU A 12 15.790 -6.635 -2.645 1.00 51.10 C ATOM 205 OE1 GLU A 12 15.270 -5.934 -1.752 1.00 31.53 O ATOM 206 OE2 GLU A 12 15.710 -7.881 -2.672 1.00 25.11 O ATOM 0 H GLU A 12 16.421 -2.015 -4.113 1.00 2.13 H new ATOM 0 HA GLU A 12 17.731 -4.114 -5.345 1.00 74.13 H new ATOM 0 HB2 GLU A 12 16.666 -3.935 -3.011 1.00 64.42 H new ATOM 0 HB3 GLU A 12 15.140 -4.335 -3.775 1.00 64.42 H new ATOM 0 HG2 GLU A 12 16.335 -6.425 -4.703 1.00 51.21 H new ATOM 0 HG3 GLU A 12 17.626 -6.053 -3.578 1.00 51.21 H new ATOM 213 N GLU A 13 14.801 -3.508 -6.634 1.00 31.12 N ATOM 214 CA GLU A 13 13.896 -3.847 -7.726 1.00 41.51 C ATOM 215 C GLU A 13 14.409 -3.288 -9.050 1.00 51.33 C ATOM 216 O GLU A 13 14.232 -3.899 -10.104 1.00 2.12 O ATOM 217 CB GLU A 13 12.493 -3.307 -7.441 1.00 51.24 C ATOM 218 CG GLU A 13 12.402 -1.791 -7.490 1.00 44.21 C ATOM 219 CD GLU A 13 11.027 -1.276 -7.113 1.00 20.04 C ATOM 220 OE1 GLU A 13 10.780 -1.071 -5.906 1.00 21.21 O ATOM 221 OE2 GLU A 13 10.197 -1.078 -8.025 1.00 45.30 O ATOM 0 H GLU A 13 14.569 -2.642 -6.147 1.00 31.12 H new ATOM 0 HA GLU A 13 13.850 -4.933 -7.803 1.00 41.51 H new ATOM 0 HB2 GLU A 13 11.797 -3.728 -8.166 1.00 51.24 H new ATOM 0 HB3 GLU A 13 12.174 -3.650 -6.457 1.00 51.24 H new ATOM 0 HG2 GLU A 13 13.143 -1.364 -6.814 1.00 44.21 H new ATOM 0 HG3 GLU A 13 12.651 -1.448 -8.494 1.00 44.21 H new ATOM 228 N MET A 14 15.044 -2.122 -8.988 1.00 30.05 N ATOM 229 CA MET A 14 15.583 -1.481 -10.181 1.00 41.32 C ATOM 230 C MET A 14 16.441 -2.455 -10.981 1.00 64.34 C ATOM 231 O MET A 14 16.367 -2.499 -12.209 1.00 64.35 O ATOM 232 CB MET A 14 16.410 -0.252 -9.797 1.00 14.02 C ATOM 233 CG MET A 14 15.705 1.066 -10.076 1.00 21.23 C ATOM 234 SD MET A 14 15.088 1.854 -8.576 1.00 51.43 S ATOM 235 CE MET A 14 13.482 1.077 -8.421 1.00 71.42 C ATOM 0 H MET A 14 15.198 -1.602 -8.124 1.00 30.05 H new ATOM 0 HA MET A 14 14.745 -1.166 -10.803 1.00 41.32 H new ATOM 0 HB2 MET A 14 16.655 -0.306 -8.736 1.00 14.02 H new ATOM 0 HB3 MET A 14 17.353 -0.273 -10.344 1.00 14.02 H new ATOM 0 HG2 MET A 14 16.395 1.743 -10.580 1.00 21.23 H new ATOM 0 HG3 MET A 14 14.873 0.891 -10.759 1.00 21.23 H new ATOM 0 HE1 MET A 14 12.718 1.844 -8.292 1.00 71.42 H new ATOM 0 HE2 MET A 14 13.269 0.500 -9.321 1.00 71.42 H new ATOM 0 HE3 MET A 14 13.481 0.414 -7.556 1.00 71.42 H new ATOM 245 N VAL A 15 17.256 -3.235 -10.278 1.00 31.24 N ATOM 246 CA VAL A 15 18.128 -4.210 -10.923 1.00 13.33 C ATOM 247 C VAL A 15 17.319 -5.341 -11.549 1.00 5.24 C ATOM 248 O VAL A 15 17.729 -5.930 -12.549 1.00 32.55 O ATOM 249 CB VAL A 15 19.138 -4.807 -9.925 1.00 13.44 C ATOM 250 CG1 VAL A 15 20.012 -3.713 -9.331 1.00 11.42 C ATOM 251 CG2 VAL A 15 18.413 -5.575 -8.830 1.00 3.25 C ATOM 0 H VAL A 15 17.331 -3.211 -9.261 1.00 31.24 H new ATOM 0 HA VAL A 15 18.672 -3.680 -11.705 1.00 13.33 H new ATOM 0 HB VAL A 15 19.783 -5.504 -10.460 1.00 13.44 H new ATOM 0 HG11 VAL A 15 20.719 -4.154 -8.628 1.00 11.42 H new ATOM 0 HG12 VAL A 15 20.559 -3.211 -10.129 1.00 11.42 H new ATOM 0 HG13 VAL A 15 19.385 -2.990 -8.809 1.00 11.42 H new ATOM 0 HG21 VAL A 15 19.141 -5.990 -8.133 1.00 3.25 H new ATOM 0 HG22 VAL A 15 17.743 -4.901 -8.296 1.00 3.25 H new ATOM 0 HG23 VAL A 15 17.834 -6.384 -9.275 1.00 3.25 H new ATOM 261 N SER A 16 16.169 -5.638 -10.953 1.00 72.23 N ATOM 262 CA SER A 16 15.303 -6.701 -11.450 1.00 64.35 C ATOM 263 C SER A 16 14.899 -6.440 -12.898 1.00 72.22 C ATOM 264 O SER A 16 14.992 -7.325 -13.750 1.00 41.55 O ATOM 265 CB SER A 16 14.055 -6.823 -10.574 1.00 62.53 C ATOM 266 OG SER A 16 13.559 -8.151 -10.575 1.00 44.03 O ATOM 0 H SER A 16 15.815 -5.158 -10.126 1.00 72.23 H new ATOM 0 HA SER A 16 15.859 -7.638 -11.409 1.00 64.35 H new ATOM 0 HB2 SER A 16 14.292 -6.521 -9.554 1.00 62.53 H new ATOM 0 HB3 SER A 16 13.284 -6.143 -10.937 1.00 62.53 H new ATOM 0 HG SER A 16 12.762 -8.203 -10.007 1.00 44.03 H new ATOM 272 N LEU A 17 14.449 -5.220 -13.169 1.00 1.10 N ATOM 273 CA LEU A 17 14.030 -4.840 -14.514 1.00 35.05 C ATOM 274 C LEU A 17 15.159 -5.051 -15.517 1.00 21.55 C ATOM 275 O LEU A 17 15.065 -5.900 -16.404 1.00 1.14 O ATOM 276 CB LEU A 17 13.580 -3.378 -14.535 1.00 2.01 C ATOM 277 CG LEU A 17 12.450 -3.009 -13.573 1.00 71.15 C ATOM 278 CD1 LEU A 17 11.564 -4.215 -13.303 1.00 71.32 C ATOM 279 CD2 LEU A 17 13.015 -2.458 -12.272 1.00 51.25 C ATOM 0 H LEU A 17 14.365 -4.477 -12.475 1.00 1.10 H new ATOM 0 HA LEU A 17 13.192 -5.476 -14.800 1.00 35.05 H new ATOM 0 HB2 LEU A 17 14.442 -2.750 -14.309 1.00 2.01 H new ATOM 0 HB3 LEU A 17 13.263 -3.131 -15.548 1.00 2.01 H new ATOM 0 HG LEU A 17 11.841 -2.234 -14.038 1.00 71.15 H new ATOM 0 HD11 LEU A 17 10.766 -3.933 -12.616 1.00 71.32 H new ATOM 0 HD12 LEU A 17 11.130 -4.565 -14.240 1.00 71.32 H new ATOM 0 HD13 LEU A 17 12.160 -5.012 -12.859 1.00 71.32 H new ATOM 0 HD21 LEU A 17 12.196 -2.201 -11.600 1.00 51.25 H new ATOM 0 HD22 LEU A 17 13.647 -3.211 -11.802 1.00 51.25 H new ATOM 0 HD23 LEU A 17 13.607 -1.567 -12.481 1.00 51.25 H new ATOM 291 N VAL A 18 16.228 -4.275 -15.368 1.00 61.55 N ATOM 292 CA VAL A 18 17.378 -4.380 -16.259 1.00 52.21 C ATOM 293 C VAL A 18 17.848 -5.825 -16.382 1.00 40.35 C ATOM 294 O VAL A 18 18.351 -6.237 -17.428 1.00 33.53 O ATOM 295 CB VAL A 18 18.550 -3.510 -15.767 1.00 31.34 C ATOM 296 CG1 VAL A 18 19.098 -4.047 -14.453 1.00 62.13 C ATOM 297 CG2 VAL A 18 19.643 -3.443 -16.822 1.00 50.14 C ATOM 0 H VAL A 18 16.322 -3.567 -14.639 1.00 61.55 H new ATOM 0 HA VAL A 18 17.055 -4.022 -17.237 1.00 52.21 H new ATOM 0 HB VAL A 18 18.182 -2.499 -15.594 1.00 31.34 H new ATOM 0 HG11 VAL A 18 19.925 -3.420 -14.120 1.00 62.13 H new ATOM 0 HG12 VAL A 18 18.310 -4.038 -13.700 1.00 62.13 H new ATOM 0 HG13 VAL A 18 19.451 -5.068 -14.596 1.00 62.13 H new ATOM 0 HG21 VAL A 18 20.463 -2.824 -16.458 1.00 50.14 H new ATOM 0 HG22 VAL A 18 20.011 -4.448 -17.029 1.00 50.14 H new ATOM 0 HG23 VAL A 18 19.240 -3.009 -17.737 1.00 50.14 H new ATOM 307 N ARG A 19 17.681 -6.589 -15.308 1.00 72.45 N ATOM 308 CA ARG A 19 18.089 -7.989 -15.296 1.00 52.00 C ATOM 309 C ARG A 19 17.190 -8.825 -16.202 1.00 63.35 C ATOM 310 O ARG A 19 17.654 -9.749 -16.872 1.00 12.43 O ATOM 311 CB ARG A 19 18.049 -8.541 -13.870 1.00 75.40 C ATOM 312 CG ARG A 19 19.348 -8.350 -13.106 1.00 24.12 C ATOM 313 CD ARG A 19 19.160 -8.592 -11.616 1.00 53.34 C ATOM 314 NE ARG A 19 18.735 -9.960 -11.333 1.00 63.23 N ATOM 315 CZ ARG A 19 18.855 -10.535 -10.142 1.00 14.14 C ATOM 316 NH1 ARG A 19 19.382 -9.863 -9.128 1.00 21.03 N ATOM 317 NH2 ARG A 19 18.445 -11.784 -9.962 1.00 61.33 N ATOM 0 H ARG A 19 17.266 -6.263 -14.435 1.00 72.45 H new ATOM 0 HA ARG A 19 19.110 -8.047 -15.673 1.00 52.00 H new ATOM 0 HB2 ARG A 19 17.241 -8.054 -13.324 1.00 75.40 H new ATOM 0 HB3 ARG A 19 17.813 -9.604 -13.908 1.00 75.40 H new ATOM 0 HG2 ARG A 19 20.103 -9.033 -13.494 1.00 24.12 H new ATOM 0 HG3 ARG A 19 19.721 -7.338 -13.267 1.00 24.12 H new ATOM 0 HD2 ARG A 19 20.095 -8.388 -11.095 1.00 53.34 H new ATOM 0 HD3 ARG A 19 18.419 -7.894 -11.226 1.00 53.34 H new ATOM 0 HE ARG A 19 18.323 -10.504 -12.092 1.00 63.23 H new ATOM 0 HH11 ARG A 19 19.696 -8.902 -9.262 1.00 21.03 H new ATOM 0 HH12 ARG A 19 19.473 -10.307 -8.214 1.00 21.03 H new ATOM 0 HH21 ARG A 19 18.037 -12.304 -10.739 1.00 61.33 H new ATOM 0 HH22 ARG A 19 18.538 -12.224 -9.047 1.00 61.33 H new ATOM 331 N SER A 20 15.903 -8.495 -16.218 1.00 72.42 N ATOM 332 CA SER A 20 14.938 -9.219 -17.039 1.00 4.42 C ATOM 333 C SER A 20 15.284 -9.095 -18.520 1.00 25.34 C ATOM 334 O SER A 20 15.077 -10.027 -19.298 1.00 35.34 O ATOM 335 CB SER A 20 13.525 -8.689 -16.788 1.00 21.31 C ATOM 336 OG SER A 20 13.132 -7.784 -17.804 1.00 53.34 O ATOM 0 H SER A 20 15.504 -7.731 -15.672 1.00 72.42 H new ATOM 0 HA SER A 20 14.979 -10.272 -16.761 1.00 4.42 H new ATOM 0 HB2 SER A 20 12.823 -9.522 -16.747 1.00 21.31 H new ATOM 0 HB3 SER A 20 13.487 -8.192 -15.819 1.00 21.31 H new ATOM 0 HG SER A 20 13.602 -6.933 -17.684 1.00 53.34 H new ATOM 342 N LEU A 21 15.814 -7.939 -18.902 1.00 54.54 N ATOM 343 CA LEU A 21 16.190 -7.691 -20.290 1.00 75.11 C ATOM 344 C LEU A 21 17.692 -7.869 -20.487 1.00 54.43 C ATOM 345 O LEU A 21 18.464 -7.811 -19.531 1.00 5.32 O ATOM 346 CB LEU A 21 15.772 -6.280 -20.708 1.00 71.35 C ATOM 347 CG LEU A 21 16.538 -5.131 -20.052 1.00 33.11 C ATOM 348 CD1 LEU A 21 17.272 -4.311 -21.101 1.00 42.00 C ATOM 349 CD2 LEU A 21 15.592 -4.250 -19.249 1.00 52.33 C ATOM 0 H LEU A 21 15.993 -7.158 -18.271 1.00 54.54 H new ATOM 0 HA LEU A 21 15.672 -8.417 -20.917 1.00 75.11 H new ATOM 0 HB2 LEU A 21 15.884 -6.195 -21.789 1.00 71.35 H new ATOM 0 HB3 LEU A 21 14.712 -6.156 -20.487 1.00 71.35 H new ATOM 0 HG LEU A 21 17.276 -5.554 -19.370 1.00 33.11 H new ATOM 0 HD11 LEU A 21 17.811 -3.498 -20.615 1.00 42.00 H new ATOM 0 HD12 LEU A 21 17.978 -4.949 -21.632 1.00 42.00 H new ATOM 0 HD13 LEU A 21 16.553 -3.898 -21.808 1.00 42.00 H new ATOM 0 HD21 LEU A 21 16.154 -3.437 -18.789 1.00 52.33 H new ATOM 0 HD22 LEU A 21 14.831 -3.836 -19.910 1.00 52.33 H new ATOM 0 HD23 LEU A 21 15.112 -4.845 -18.472 1.00 52.33 H new ATOM 361 N ASP A 22 18.098 -8.083 -21.734 1.00 10.13 N ATOM 362 CA ASP A 22 19.508 -8.265 -22.057 1.00 62.45 C ATOM 363 C ASP A 22 19.689 -8.588 -23.537 1.00 74.34 C ATOM 364 O ASP A 22 19.833 -9.751 -23.916 1.00 1.20 O ATOM 365 CB ASP A 22 20.109 -9.382 -21.202 1.00 44.41 C ATOM 366 CG ASP A 22 21.164 -8.870 -20.240 1.00 73.02 C ATOM 367 OD1 ASP A 22 22.111 -8.199 -20.700 1.00 44.12 O ATOM 368 OD2 ASP A 22 21.041 -9.140 -19.027 1.00 53.14 O ATOM 0 H ASP A 22 17.471 -8.135 -22.537 1.00 10.13 H new ATOM 0 HA ASP A 22 20.028 -7.332 -21.840 1.00 62.45 H new ATOM 0 HB2 ASP A 22 19.315 -9.872 -20.639 1.00 44.41 H new ATOM 0 HB3 ASP A 22 20.550 -10.137 -21.853 1.00 44.41 H new ATOM 373 N ARG A 23 19.678 -7.552 -24.370 1.00 20.15 N ATOM 374 CA ARG A 23 19.838 -7.726 -25.808 1.00 41.12 C ATOM 375 C ARG A 23 19.891 -6.375 -26.516 1.00 62.34 C ATOM 376 O ARG A 23 18.998 -6.013 -27.282 1.00 52.31 O ATOM 377 CB ARG A 23 18.691 -8.565 -26.373 1.00 35.22 C ATOM 378 CG ARG A 23 19.043 -9.292 -27.660 1.00 45.34 C ATOM 379 CD ARG A 23 20.167 -10.293 -27.445 1.00 21.42 C ATOM 380 NE ARG A 23 19.939 -11.126 -26.267 1.00 25.12 N ATOM 381 CZ ARG A 23 19.165 -12.206 -26.268 1.00 43.44 C ATOM 382 NH1 ARG A 23 18.548 -12.581 -27.380 1.00 62.22 N ATOM 383 NH2 ARG A 23 19.008 -12.912 -25.156 1.00 74.14 N ATOM 0 H ARG A 23 19.560 -6.583 -24.073 1.00 20.15 H new ATOM 0 HA ARG A 23 20.780 -8.246 -25.983 1.00 41.12 H new ATOM 0 HB2 ARG A 23 18.385 -9.296 -25.625 1.00 35.22 H new ATOM 0 HB3 ARG A 23 17.834 -7.917 -26.555 1.00 35.22 H new ATOM 0 HG2 ARG A 23 18.162 -9.809 -28.040 1.00 45.34 H new ATOM 0 HG3 ARG A 23 19.339 -8.568 -28.419 1.00 45.34 H new ATOM 0 HD2 ARG A 23 20.260 -10.928 -28.326 1.00 21.42 H new ATOM 0 HD3 ARG A 23 21.111 -9.760 -27.335 1.00 21.42 H new ATOM 0 HE ARG A 23 20.399 -10.864 -25.395 1.00 25.12 H new ATOM 0 HH11 ARG A 23 18.667 -12.040 -28.237 1.00 62.22 H new ATOM 0 HH12 ARG A 23 17.954 -13.410 -27.379 1.00 62.22 H new ATOM 0 HH21 ARG A 23 19.482 -12.626 -24.299 1.00 74.14 H new ATOM 0 HH22 ARG A 23 18.414 -13.741 -25.158 1.00 74.14 H new ATOM 397 N PRO A 24 20.963 -5.612 -26.256 1.00 14.25 N ATOM 398 CA PRO A 24 21.158 -4.290 -26.858 1.00 10.43 C ATOM 399 C PRO A 24 21.457 -4.371 -28.351 1.00 24.23 C ATOM 400 O PRO A 24 22.597 -4.607 -28.752 1.00 35.32 O ATOM 401 CB PRO A 24 22.364 -3.730 -26.100 1.00 45.42 C ATOM 402 CG PRO A 24 23.108 -4.932 -25.630 1.00 13.13 C ATOM 403 CD PRO A 24 22.066 -5.981 -25.353 1.00 42.40 C ATOM 0 HA PRO A 24 20.264 -3.671 -26.781 1.00 10.43 H new ATOM 0 HB2 PRO A 24 22.984 -3.108 -26.746 1.00 45.42 H new ATOM 0 HB3 PRO A 24 22.051 -3.106 -25.263 1.00 45.42 H new ATOM 0 HG2 PRO A 24 23.815 -5.274 -26.386 1.00 13.13 H new ATOM 0 HG3 PRO A 24 23.685 -4.708 -24.733 1.00 13.13 H new ATOM 0 HD2 PRO A 24 22.439 -6.983 -25.563 1.00 42.40 H new ATOM 0 HD3 PRO A 24 21.752 -5.970 -24.309 1.00 42.40 H new ATOM 411 N GLN A 25 20.428 -4.174 -29.168 1.00 13.23 N ATOM 412 CA GLN A 25 20.582 -4.226 -30.617 1.00 1.44 C ATOM 413 C GLN A 25 21.576 -3.173 -31.096 1.00 40.11 C ATOM 414 O GLN A 25 22.502 -3.477 -31.847 1.00 71.23 O ATOM 415 CB GLN A 25 19.231 -4.018 -31.302 1.00 54.14 C ATOM 416 CG GLN A 25 18.115 -4.868 -30.717 1.00 75.14 C ATOM 417 CD GLN A 25 17.327 -5.608 -31.780 1.00 75.31 C ATOM 418 OE1 GLN A 25 16.099 -5.521 -31.833 1.00 44.11 O ATOM 419 NE2 GLN A 25 18.029 -6.343 -32.634 1.00 63.13 N ATOM 0 H GLN A 25 19.479 -3.977 -28.851 1.00 13.23 H new ATOM 0 HA GLN A 25 20.967 -5.211 -30.882 1.00 1.44 H new ATOM 0 HB2 GLN A 25 18.953 -2.967 -31.227 1.00 54.14 H new ATOM 0 HB3 GLN A 25 19.332 -4.246 -32.363 1.00 54.14 H new ATOM 0 HG2 GLN A 25 18.540 -5.588 -30.018 1.00 75.14 H new ATOM 0 HG3 GLN A 25 17.439 -4.231 -30.147 1.00 75.14 H new ATOM 0 HE21 GLN A 25 19.045 -6.387 -32.554 1.00 63.13 H new ATOM 0 HE22 GLN A 25 17.552 -6.864 -33.370 1.00 63.13 H new ATOM 428 N GLU A 26 21.377 -1.934 -30.657 1.00 33.12 N ATOM 429 CA GLU A 26 22.256 -0.837 -31.043 1.00 53.40 C ATOM 430 C GLU A 26 23.567 -0.889 -30.264 1.00 34.44 C ATOM 431 O GLU A 26 24.648 -0.781 -30.840 1.00 21.12 O ATOM 432 CB GLU A 26 21.563 0.508 -30.808 1.00 25.42 C ATOM 433 CG GLU A 26 21.120 1.196 -32.088 1.00 5.34 C ATOM 434 CD GLU A 26 22.247 1.340 -33.093 1.00 12.24 C ATOM 435 OE1 GLU A 26 23.375 1.677 -32.676 1.00 72.13 O ATOM 436 OE2 GLU A 26 21.999 1.116 -34.296 1.00 65.51 O ATOM 0 H GLU A 26 20.615 -1.665 -30.034 1.00 33.12 H new ATOM 0 HA GLU A 26 22.480 -0.942 -32.104 1.00 53.40 H new ATOM 0 HB2 GLU A 26 20.693 0.352 -30.169 1.00 25.42 H new ATOM 0 HB3 GLU A 26 22.242 1.167 -30.267 1.00 25.42 H new ATOM 0 HG2 GLU A 26 20.307 0.628 -32.539 1.00 5.34 H new ATOM 0 HG3 GLU A 26 20.724 2.183 -31.848 1.00 5.34 H new ATOM 443 N ASN A 27 23.460 -1.056 -28.949 1.00 44.03 N ATOM 444 CA ASN A 27 24.637 -1.122 -28.090 1.00 12.02 C ATOM 445 C ASN A 27 25.550 0.077 -28.325 1.00 64.02 C ATOM 446 O ASN A 27 26.702 -0.077 -28.730 1.00 10.22 O ATOM 447 CB ASN A 27 25.406 -2.421 -28.341 1.00 53.44 C ATOM 448 CG ASN A 27 26.409 -2.720 -27.244 1.00 62.15 C ATOM 449 OD1 ASN A 27 27.615 -2.773 -27.488 1.00 73.23 O ATOM 450 ND2 ASN A 27 25.914 -2.918 -26.028 1.00 44.11 N ATOM 0 H ASN A 27 22.572 -1.148 -28.456 1.00 44.03 H new ATOM 0 HA ASN A 27 24.301 -1.102 -27.053 1.00 12.02 H new ATOM 0 HB2 ASN A 27 24.701 -3.248 -28.420 1.00 53.44 H new ATOM 0 HB3 ASN A 27 25.926 -2.353 -29.297 1.00 53.44 H new ATOM 0 HD21 ASN A 27 26.540 -3.124 -25.250 1.00 44.11 H new ATOM 0 HD22 ASN A 27 24.907 -2.864 -25.872 1.00 44.11 H new ATOM 457 N GLY A 28 25.028 1.272 -28.068 1.00 13.21 N ATOM 458 CA GLY A 28 25.810 2.480 -28.257 1.00 14.11 C ATOM 459 C GLY A 28 25.173 3.691 -27.604 1.00 71.02 C ATOM 460 O GLY A 28 25.869 4.558 -27.074 1.00 20.10 O ATOM 0 H GLY A 28 24.077 1.425 -27.732 1.00 13.21 H new ATOM 0 HA2 GLY A 28 26.808 2.331 -27.844 1.00 14.11 H new ATOM 0 HA3 GLY A 28 25.931 2.668 -29.324 1.00 14.11 H new ATOM 464 N LEU A 29 23.846 3.753 -27.643 1.00 45.14 N ATOM 465 CA LEU A 29 23.115 4.868 -27.052 1.00 40.33 C ATOM 466 C LEU A 29 21.618 4.577 -27.010 1.00 64.25 C ATOM 467 O LEU A 29 20.930 4.946 -26.059 1.00 32.32 O ATOM 468 CB LEU A 29 23.374 6.151 -27.844 1.00 44.03 C ATOM 469 CG LEU A 29 22.667 7.408 -27.337 1.00 0.04 C ATOM 470 CD1 LEU A 29 23.681 8.487 -26.987 1.00 74.43 C ATOM 471 CD2 LEU A 29 21.678 7.919 -28.374 1.00 13.02 C ATOM 0 H LEU A 29 23.255 3.044 -28.078 1.00 45.14 H new ATOM 0 HA LEU A 29 23.470 5.001 -26.030 1.00 40.33 H new ATOM 0 HB2 LEU A 29 24.448 6.340 -27.850 1.00 44.03 H new ATOM 0 HB3 LEU A 29 23.074 5.982 -28.878 1.00 44.03 H new ATOM 0 HG LEU A 29 22.114 7.151 -26.433 1.00 0.04 H new ATOM 0 HD11 LEU A 29 23.159 9.374 -26.628 1.00 74.43 H new ATOM 0 HD12 LEU A 29 24.349 8.119 -26.208 1.00 74.43 H new ATOM 0 HD13 LEU A 29 24.262 8.742 -27.873 1.00 74.43 H new ATOM 0 HD21 LEU A 29 21.184 8.814 -27.996 1.00 13.02 H new ATOM 0 HD22 LEU A 29 22.208 8.159 -29.295 1.00 13.02 H new ATOM 0 HD23 LEU A 29 20.932 7.150 -28.575 1.00 13.02 H new ATOM 483 N PHE A 30 21.121 3.911 -28.047 1.00 64.34 N ATOM 484 CA PHE A 30 19.706 3.568 -28.129 1.00 3.02 C ATOM 485 C PHE A 30 19.321 2.582 -27.030 1.00 24.12 C ATOM 486 O PHE A 30 18.140 2.354 -26.771 1.00 54.40 O ATOM 487 CB PHE A 30 19.382 2.972 -29.500 1.00 40.54 C ATOM 488 CG PHE A 30 18.771 3.960 -30.453 1.00 70.33 C ATOM 489 CD1 PHE A 30 19.527 4.995 -30.978 1.00 3.30 C ATOM 490 CD2 PHE A 30 17.441 3.852 -30.825 1.00 34.23 C ATOM 491 CE1 PHE A 30 18.967 5.905 -31.854 1.00 42.53 C ATOM 492 CE2 PHE A 30 16.875 4.759 -31.701 1.00 60.21 C ATOM 493 CZ PHE A 30 17.640 5.786 -32.217 1.00 52.43 C ATOM 0 H PHE A 30 21.677 3.598 -28.843 1.00 64.34 H new ATOM 0 HA PHE A 30 19.128 4.482 -27.992 1.00 3.02 H new ATOM 0 HB2 PHE A 30 20.296 2.573 -29.939 1.00 40.54 H new ATOM 0 HB3 PHE A 30 18.698 2.133 -29.370 1.00 40.54 H new ATOM 0 HD1 PHE A 30 20.566 5.092 -30.699 1.00 3.30 H new ATOM 0 HD2 PHE A 30 16.839 3.049 -30.426 1.00 34.23 H new ATOM 0 HE1 PHE A 30 19.567 6.709 -32.255 1.00 42.53 H new ATOM 0 HE2 PHE A 30 15.836 4.665 -31.981 1.00 60.21 H new ATOM 0 HZ PHE A 30 17.201 6.495 -32.903 1.00 52.43 H new ATOM 503 N SER A 31 20.328 1.999 -26.387 1.00 22.01 N ATOM 504 CA SER A 31 20.096 1.034 -25.319 1.00 24.23 C ATOM 505 C SER A 31 21.327 0.906 -24.426 1.00 13.15 C ATOM 506 O SER A 31 21.638 -0.178 -23.933 1.00 4.43 O ATOM 507 CB SER A 31 19.735 -0.332 -25.906 1.00 53.30 C ATOM 508 OG SER A 31 19.154 -1.172 -24.924 1.00 0.14 O ATOM 0 H SER A 31 21.312 2.178 -26.587 1.00 22.01 H new ATOM 0 HA SER A 31 19.264 1.393 -24.713 1.00 24.23 H new ATOM 0 HB2 SER A 31 19.040 -0.203 -26.736 1.00 53.30 H new ATOM 0 HB3 SER A 31 20.630 -0.805 -26.311 1.00 53.30 H new ATOM 0 HG SER A 31 19.749 -1.227 -24.147 1.00 0.14 H new ATOM 514 N GLN A 32 22.021 2.021 -24.223 1.00 1.14 N ATOM 515 CA GLN A 32 23.218 2.034 -23.390 1.00 12.23 C ATOM 516 C GLN A 32 23.562 3.454 -22.953 1.00 52.53 C ATOM 517 O GLN A 32 22.864 4.407 -23.301 1.00 42.43 O ATOM 518 CB GLN A 32 24.398 1.420 -24.145 1.00 54.34 C ATOM 519 CG GLN A 32 25.136 0.351 -23.356 1.00 50.41 C ATOM 520 CD GLN A 32 24.309 -0.904 -23.158 1.00 11.51 C ATOM 521 OE1 GLN A 32 23.979 -1.272 -22.030 1.00 50.22 O ATOM 522 NE2 GLN A 32 23.969 -1.568 -24.256 1.00 72.20 N ATOM 0 H GLN A 32 21.775 2.926 -24.623 1.00 1.14 H new ATOM 0 HA GLN A 32 23.016 1.438 -22.500 1.00 12.23 H new ATOM 0 HB2 GLN A 32 24.036 0.987 -25.077 1.00 54.34 H new ATOM 0 HB3 GLN A 32 25.099 2.211 -24.412 1.00 54.34 H new ATOM 0 HG2 GLN A 32 26.060 0.095 -23.875 1.00 50.41 H new ATOM 0 HG3 GLN A 32 25.418 0.753 -22.383 1.00 50.41 H new ATOM 0 HE21 GLN A 32 24.264 -1.226 -25.171 1.00 72.20 H new ATOM 0 HE22 GLN A 32 23.412 -2.420 -24.185 1.00 72.20 H new ATOM 531 N ASP A 33 24.640 3.588 -22.190 1.00 4.45 N ATOM 532 CA ASP A 33 25.078 4.893 -21.706 1.00 34.22 C ATOM 533 C ASP A 33 26.338 5.348 -22.435 1.00 54.52 C ATOM 534 O ASP A 33 27.383 4.703 -22.353 1.00 53.13 O ATOM 535 CB ASP A 33 25.336 4.842 -20.199 1.00 71.52 C ATOM 536 CG ASP A 33 24.053 4.829 -19.392 1.00 13.41 C ATOM 537 OD1 ASP A 33 23.315 5.837 -19.434 1.00 62.42 O ATOM 538 OD2 ASP A 33 23.785 3.812 -18.719 1.00 5.44 O ATOM 0 H ASP A 33 25.228 2.809 -21.893 1.00 4.45 H new ATOM 0 HA ASP A 33 24.284 5.612 -21.907 1.00 34.22 H new ATOM 0 HB2 ASP A 33 25.919 3.952 -19.963 1.00 71.52 H new ATOM 0 HB3 ASP A 33 25.937 5.703 -19.907 1.00 71.52 H new ATOM 543 N VAL A 34 26.231 6.464 -23.150 1.00 11.43 N ATOM 544 CA VAL A 34 27.361 7.007 -23.894 1.00 24.32 C ATOM 545 C VAL A 34 28.574 7.198 -22.989 1.00 54.54 C ATOM 546 O VAL A 34 29.717 7.056 -23.426 1.00 35.42 O ATOM 547 CB VAL A 34 27.007 8.354 -24.551 1.00 35.13 C ATOM 548 CG1 VAL A 34 26.717 9.405 -23.490 1.00 54.34 C ATOM 549 CG2 VAL A 34 28.128 8.809 -25.472 1.00 24.03 C ATOM 0 H VAL A 34 25.373 7.009 -23.229 1.00 11.43 H new ATOM 0 HA VAL A 34 27.603 6.284 -24.674 1.00 24.32 H new ATOM 0 HB VAL A 34 26.107 8.220 -25.152 1.00 35.13 H new ATOM 0 HG11 VAL A 34 26.469 10.350 -23.973 1.00 54.34 H new ATOM 0 HG12 VAL A 34 25.877 9.080 -22.876 1.00 54.34 H new ATOM 0 HG13 VAL A 34 27.597 9.539 -22.861 1.00 54.34 H new ATOM 0 HG21 VAL A 34 27.860 9.762 -25.927 1.00 24.03 H new ATOM 0 HG22 VAL A 34 29.046 8.927 -24.897 1.00 24.03 H new ATOM 0 HG23 VAL A 34 28.282 8.064 -26.253 1.00 24.03 H new ATOM 559 N LEU A 35 28.317 7.522 -21.727 1.00 2.42 N ATOM 560 CA LEU A 35 29.388 7.734 -20.759 1.00 31.44 C ATOM 561 C LEU A 35 30.237 6.476 -20.603 1.00 41.10 C ATOM 562 O LEU A 35 31.395 6.543 -20.189 1.00 43.42 O ATOM 563 CB LEU A 35 28.804 8.140 -19.404 1.00 65.41 C ATOM 564 CG LEU A 35 29.623 9.147 -18.596 1.00 14.41 C ATOM 565 CD1 LEU A 35 30.952 8.540 -18.174 1.00 54.11 C ATOM 566 CD2 LEU A 35 29.847 10.420 -19.400 1.00 72.41 C ATOM 0 H LEU A 35 27.377 7.644 -21.350 1.00 2.42 H new ATOM 0 HA LEU A 35 30.025 8.537 -21.129 1.00 31.44 H new ATOM 0 HB2 LEU A 35 27.811 8.558 -19.569 1.00 65.41 H new ATOM 0 HB3 LEU A 35 28.675 7.240 -18.802 1.00 65.41 H new ATOM 0 HG LEU A 35 29.063 9.403 -17.697 1.00 14.41 H new ATOM 0 HD11 LEU A 35 31.520 9.272 -17.600 1.00 54.11 H new ATOM 0 HD12 LEU A 35 30.770 7.658 -17.559 1.00 54.11 H new ATOM 0 HD13 LEU A 35 31.519 8.254 -19.060 1.00 54.11 H new ATOM 0 HD21 LEU A 35 30.432 11.125 -18.809 1.00 72.41 H new ATOM 0 HD22 LEU A 35 30.385 10.181 -20.317 1.00 72.41 H new ATOM 0 HD23 LEU A 35 28.885 10.866 -19.650 1.00 72.41 H new ATOM 578 N LEU A 36 29.655 5.330 -20.939 1.00 41.31 N ATOM 579 CA LEU A 36 30.359 4.056 -20.839 1.00 41.41 C ATOM 580 C LEU A 36 30.981 3.672 -22.178 1.00 21.54 C ATOM 581 O LEU A 36 31.133 2.490 -22.485 1.00 33.53 O ATOM 582 CB LEU A 36 29.402 2.958 -20.374 1.00 21.52 C ATOM 583 CG LEU A 36 29.037 2.970 -18.889 1.00 22.31 C ATOM 584 CD1 LEU A 36 28.136 4.153 -18.570 1.00 64.13 C ATOM 585 CD2 LEU A 36 28.364 1.663 -18.494 1.00 42.23 C ATOM 0 H LEU A 36 28.698 5.257 -21.283 1.00 41.31 H new ATOM 0 HA LEU A 36 31.158 4.166 -20.106 1.00 41.41 H new ATOM 0 HB2 LEU A 36 28.483 3.036 -20.954 1.00 21.52 H new ATOM 0 HB3 LEU A 36 29.847 1.992 -20.610 1.00 21.52 H new ATOM 0 HG LEU A 36 29.955 3.072 -18.310 1.00 22.31 H new ATOM 0 HD11 LEU A 36 27.887 4.145 -17.509 1.00 64.13 H new ATOM 0 HD12 LEU A 36 28.654 5.081 -18.814 1.00 64.13 H new ATOM 0 HD13 LEU A 36 27.221 4.082 -19.158 1.00 64.13 H new ATOM 0 HD21 LEU A 36 28.111 1.690 -17.434 1.00 42.23 H new ATOM 0 HD22 LEU A 36 27.455 1.530 -19.080 1.00 42.23 H new ATOM 0 HD23 LEU A 36 29.043 0.832 -18.684 1.00 42.23 H new ATOM 597 N GLN A 37 31.341 4.678 -22.968 1.00 71.41 N ATOM 598 CA GLN A 37 31.948 4.444 -24.273 1.00 22.40 C ATOM 599 C GLN A 37 33.430 4.802 -24.256 1.00 5.13 C ATOM 600 O GLN A 37 34.292 3.923 -24.223 1.00 33.23 O ATOM 601 CB GLN A 37 31.227 5.258 -25.348 1.00 52.02 C ATOM 602 CG GLN A 37 29.750 4.922 -25.477 1.00 52.21 C ATOM 603 CD GLN A 37 29.513 3.490 -25.915 1.00 11.22 C ATOM 604 OE1 GLN A 37 30.396 2.849 -26.485 1.00 22.14 O ATOM 605 NE2 GLN A 37 28.316 2.980 -25.650 1.00 52.30 N ATOM 0 H GLN A 37 31.223 5.662 -22.728 1.00 71.41 H new ATOM 0 HA GLN A 37 31.852 3.383 -24.505 1.00 22.40 H new ATOM 0 HB2 GLN A 37 31.331 6.319 -25.120 1.00 52.02 H new ATOM 0 HB3 GLN A 37 31.715 5.089 -26.308 1.00 52.02 H new ATOM 0 HG2 GLN A 37 29.258 5.091 -24.519 1.00 52.21 H new ATOM 0 HG3 GLN A 37 29.289 5.599 -26.196 1.00 52.21 H new ATOM 0 HE21 GLN A 37 27.614 3.547 -25.175 1.00 52.30 H new ATOM 0 HE22 GLN A 37 28.099 2.021 -25.921 1.00 52.30 H new ATOM 614 N TYR A 38 33.721 6.098 -24.279 1.00 13.12 N ATOM 615 CA TYR A 38 35.099 6.573 -24.269 1.00 22.13 C ATOM 616 C TYR A 38 35.166 8.045 -23.873 1.00 75.11 C ATOM 617 O TYR A 38 34.201 8.797 -24.016 1.00 22.10 O ATOM 618 CB TYR A 38 35.740 6.373 -25.643 1.00 55.54 C ATOM 619 CG TYR A 38 36.392 5.020 -25.817 1.00 54.41 C ATOM 620 CD1 TYR A 38 37.276 4.526 -24.866 1.00 50.15 C ATOM 621 CD2 TYR A 38 36.122 4.236 -26.932 1.00 23.21 C ATOM 622 CE1 TYR A 38 37.875 3.291 -25.022 1.00 35.13 C ATOM 623 CE2 TYR A 38 36.715 2.999 -27.095 1.00 21.43 C ATOM 624 CZ TYR A 38 37.591 2.531 -26.137 1.00 72.22 C ATOM 625 OH TYR A 38 38.184 1.299 -26.295 1.00 11.13 O ATOM 0 H TYR A 38 33.020 6.839 -24.305 1.00 13.12 H new ATOM 0 HA TYR A 38 35.651 5.992 -23.530 1.00 22.13 H new ATOM 0 HB2 TYR A 38 34.978 6.501 -26.412 1.00 55.54 H new ATOM 0 HB3 TYR A 38 36.488 7.150 -25.802 1.00 55.54 H new ATOM 0 HD1 TYR A 38 37.499 5.117 -23.990 1.00 50.15 H new ATOM 0 HD2 TYR A 38 35.437 4.600 -27.684 1.00 23.21 H new ATOM 0 HE1 TYR A 38 38.562 2.923 -24.275 1.00 35.13 H new ATOM 0 HE2 TYR A 38 36.494 2.402 -27.967 1.00 21.43 H new ATOM 0 HH TYR A 38 37.877 0.893 -27.132 1.00 11.13 H new ATOM 635 N PRO A 39 36.332 8.467 -23.364 1.00 1.55 N ATOM 636 CA PRO A 39 36.555 9.852 -22.937 1.00 54.35 C ATOM 637 C PRO A 39 36.606 10.820 -24.115 1.00 21.11 C ATOM 638 O PRO A 39 37.674 11.311 -24.479 1.00 52.23 O ATOM 639 CB PRO A 39 37.913 9.793 -22.234 1.00 52.21 C ATOM 640 CG PRO A 39 38.604 8.622 -22.842 1.00 74.31 C ATOM 641 CD PRO A 39 37.524 7.626 -23.165 1.00 21.13 C ATOM 0 HA PRO A 39 35.748 10.218 -22.303 1.00 54.35 H new ATOM 0 HB2 PRO A 39 38.479 10.711 -22.389 1.00 52.21 H new ATOM 0 HB3 PRO A 39 37.796 9.669 -21.157 1.00 52.21 H new ATOM 0 HG2 PRO A 39 39.148 8.913 -23.741 1.00 74.31 H new ATOM 0 HG3 PRO A 39 39.333 8.197 -22.152 1.00 74.31 H new ATOM 0 HD2 PRO A 39 37.763 7.050 -24.059 1.00 21.13 H new ATOM 0 HD3 PRO A 39 37.381 6.912 -22.354 1.00 21.13 H new ATOM 649 N GLU A 40 35.446 11.089 -24.705 1.00 53.21 N ATOM 650 CA GLU A 40 35.360 11.998 -25.842 1.00 5.41 C ATOM 651 C GLU A 40 33.912 12.393 -26.115 1.00 40.24 C ATOM 652 O GLU A 40 33.622 13.544 -26.445 1.00 71.02 O ATOM 653 CB GLU A 40 35.968 11.351 -27.088 1.00 21.31 C ATOM 654 CG GLU A 40 35.455 9.946 -27.355 1.00 61.33 C ATOM 655 CD GLU A 40 36.567 8.976 -27.705 1.00 74.52 C ATOM 656 OE1 GLU A 40 37.547 8.896 -26.936 1.00 23.50 O ATOM 657 OE2 GLU A 40 36.456 8.297 -28.747 1.00 63.15 O ATOM 0 H GLU A 40 34.553 10.691 -24.415 1.00 53.21 H new ATOM 0 HA GLU A 40 35.924 12.898 -25.598 1.00 5.41 H new ATOM 0 HB2 GLU A 40 35.754 11.978 -27.954 1.00 21.31 H new ATOM 0 HB3 GLU A 40 37.052 11.318 -26.978 1.00 21.31 H new ATOM 0 HG2 GLU A 40 34.925 9.583 -26.474 1.00 61.33 H new ATOM 0 HG3 GLU A 40 34.733 9.976 -28.171 1.00 61.33 H new ATOM 664 N LEU A 41 33.007 11.431 -25.977 1.00 33.02 N ATOM 665 CA LEU A 41 31.588 11.676 -26.209 1.00 54.51 C ATOM 666 C LEU A 41 30.861 11.952 -24.897 1.00 34.33 C ATOM 667 O LEU A 41 29.632 12.021 -24.859 1.00 25.43 O ATOM 668 CB LEU A 41 30.952 10.478 -26.916 1.00 54.32 C ATOM 669 CG LEU A 41 31.281 9.103 -26.334 1.00 41.24 C ATOM 670 CD1 LEU A 41 32.605 8.595 -26.883 1.00 70.45 C ATOM 671 CD2 LEU A 41 31.320 9.163 -24.814 1.00 74.53 C ATOM 0 H LEU A 41 33.230 10.474 -25.705 1.00 33.02 H new ATOM 0 HA LEU A 41 31.496 12.556 -26.846 1.00 54.51 H new ATOM 0 HB2 LEU A 41 29.870 10.606 -26.903 1.00 54.32 H new ATOM 0 HB3 LEU A 41 31.262 10.492 -27.961 1.00 54.32 H new ATOM 0 HG LEU A 41 30.497 8.407 -26.630 1.00 41.24 H new ATOM 0 HD11 LEU A 41 32.823 7.615 -26.458 1.00 70.45 H new ATOM 0 HD12 LEU A 41 32.542 8.514 -27.968 1.00 70.45 H new ATOM 0 HD13 LEU A 41 33.400 9.291 -26.617 1.00 70.45 H new ATOM 0 HD21 LEU A 41 31.556 8.176 -24.417 1.00 74.53 H new ATOM 0 HD22 LEU A 41 32.084 9.873 -24.497 1.00 74.53 H new ATOM 0 HD23 LEU A 41 30.349 9.483 -24.437 1.00 74.53 H new ATOM 683 N ALA A 42 31.628 12.110 -23.823 1.00 52.12 N ATOM 684 CA ALA A 42 31.057 12.382 -22.510 1.00 1.22 C ATOM 685 C ALA A 42 30.128 13.591 -22.555 1.00 21.34 C ATOM 686 O ALA A 42 29.202 13.703 -21.752 1.00 62.40 O ATOM 687 CB ALA A 42 32.164 12.602 -21.489 1.00 14.21 C ATOM 0 H ALA A 42 32.646 12.054 -23.837 1.00 52.12 H new ATOM 0 HA ALA A 42 30.468 11.515 -22.210 1.00 1.22 H new ATOM 0 HB1 ALA A 42 31.724 12.804 -20.513 1.00 14.21 H new ATOM 0 HB2 ALA A 42 32.786 11.709 -21.429 1.00 14.21 H new ATOM 0 HB3 ALA A 42 32.776 13.451 -21.794 1.00 14.21 H new ATOM 693 N GLU A 43 30.383 14.493 -23.497 1.00 72.45 N ATOM 694 CA GLU A 43 29.569 15.694 -23.644 1.00 70.45 C ATOM 695 C GLU A 43 28.128 15.335 -23.996 1.00 61.22 C ATOM 696 O GLU A 43 27.194 16.052 -23.639 1.00 34.24 O ATOM 697 CB GLU A 43 30.157 16.606 -24.723 1.00 72.11 C ATOM 698 CG GLU A 43 29.793 18.071 -24.546 1.00 23.42 C ATOM 699 CD GLU A 43 30.396 18.955 -25.620 1.00 11.32 C ATOM 700 OE1 GLU A 43 30.485 18.504 -26.780 1.00 71.45 O ATOM 701 OE2 GLU A 43 30.778 20.100 -25.299 1.00 2.21 O ATOM 0 H GLU A 43 31.146 14.415 -24.169 1.00 72.45 H new ATOM 0 HA GLU A 43 29.571 16.222 -22.691 1.00 70.45 H new ATOM 0 HB2 GLU A 43 31.242 16.507 -24.719 1.00 72.11 H new ATOM 0 HB3 GLU A 43 29.810 16.270 -25.700 1.00 72.11 H new ATOM 0 HG2 GLU A 43 28.708 18.176 -24.561 1.00 23.42 H new ATOM 0 HG3 GLU A 43 30.133 18.411 -23.568 1.00 23.42 H new ATOM 708 N SER A 44 27.957 14.220 -24.700 1.00 11.22 N ATOM 709 CA SER A 44 26.631 13.768 -25.104 1.00 70.43 C ATOM 710 C SER A 44 25.868 13.189 -23.916 1.00 45.31 C ATOM 711 O SER A 44 24.638 13.221 -23.879 1.00 2.13 O ATOM 712 CB SER A 44 26.743 12.719 -26.212 1.00 70.33 C ATOM 713 OG SER A 44 26.881 11.417 -25.670 1.00 25.20 O ATOM 0 H SER A 44 28.720 13.614 -25.002 1.00 11.22 H new ATOM 0 HA SER A 44 26.080 14.629 -25.482 1.00 70.43 H new ATOM 0 HB2 SER A 44 25.858 12.760 -26.847 1.00 70.33 H new ATOM 0 HB3 SER A 44 27.600 12.945 -26.846 1.00 70.33 H new ATOM 0 HG SER A 44 27.736 11.349 -25.196 1.00 25.20 H new ATOM 719 N TYR A 45 26.608 12.661 -22.947 1.00 50.32 N ATOM 720 CA TYR A 45 26.003 12.073 -21.758 1.00 51.11 C ATOM 721 C TYR A 45 25.015 13.041 -21.114 1.00 74.34 C ATOM 722 O TYR A 45 23.826 12.742 -20.989 1.00 3.42 O ATOM 723 CB TYR A 45 27.085 11.685 -20.749 1.00 33.12 C ATOM 724 CG TYR A 45 26.535 11.099 -19.468 1.00 23.12 C ATOM 725 CD1 TYR A 45 25.672 10.011 -19.492 1.00 73.25 C ATOM 726 CD2 TYR A 45 26.881 11.633 -18.232 1.00 71.04 C ATOM 727 CE1 TYR A 45 25.167 9.473 -18.325 1.00 31.14 C ATOM 728 CE2 TYR A 45 26.382 11.101 -17.059 1.00 61.42 C ATOM 729 CZ TYR A 45 25.525 10.021 -17.111 1.00 1.04 C ATOM 730 OH TYR A 45 25.026 9.487 -15.945 1.00 15.12 O ATOM 0 H TYR A 45 27.627 12.628 -22.962 1.00 50.32 H new ATOM 0 HA TYR A 45 25.461 11.178 -22.062 1.00 51.11 H new ATOM 0 HB2 TYR A 45 27.758 10.962 -21.210 1.00 33.12 H new ATOM 0 HB3 TYR A 45 27.680 12.566 -20.510 1.00 33.12 H new ATOM 0 HD1 TYR A 45 25.391 9.578 -20.441 1.00 73.25 H new ATOM 0 HD2 TYR A 45 27.552 12.478 -18.188 1.00 71.04 H new ATOM 0 HE1 TYR A 45 24.496 8.628 -18.363 1.00 31.14 H new ATOM 0 HE2 TYR A 45 26.661 11.528 -16.107 1.00 61.42 H new ATOM 0 HH TYR A 45 25.377 9.988 -15.179 1.00 15.12 H new ATOM 740 N THR A 46 25.514 14.204 -20.708 1.00 25.43 N ATOM 741 CA THR A 46 24.678 15.216 -20.076 1.00 52.34 C ATOM 742 C THR A 46 23.455 15.530 -20.931 1.00 42.30 C ATOM 743 O THR A 46 22.344 15.665 -20.418 1.00 41.32 O ATOM 744 CB THR A 46 25.463 16.518 -19.826 1.00 61.43 C ATOM 745 OG1 THR A 46 24.567 17.561 -19.428 1.00 5.44 O ATOM 746 CG2 THR A 46 26.220 16.942 -21.076 1.00 31.31 C ATOM 0 H THR A 46 26.494 14.468 -20.806 1.00 25.43 H new ATOM 0 HA THR A 46 24.355 14.806 -19.119 1.00 52.34 H new ATOM 0 HB THR A 46 26.184 16.335 -19.029 1.00 61.43 H new ATOM 0 HG1 THR A 46 25.074 18.385 -19.270 1.00 5.44 H new ATOM 0 HG21 THR A 46 26.767 17.863 -20.875 1.00 31.31 H new ATOM 0 HG22 THR A 46 26.922 16.158 -21.360 1.00 31.31 H new ATOM 0 HG23 THR A 46 25.514 17.109 -21.890 1.00 31.31 H new ATOM 754 N LYS A 47 23.666 15.645 -22.238 1.00 23.02 N ATOM 755 CA LYS A 47 22.581 15.941 -23.166 1.00 1.24 C ATOM 756 C LYS A 47 21.463 14.911 -23.041 1.00 52.34 C ATOM 757 O LYS A 47 20.300 15.207 -23.315 1.00 15.32 O ATOM 758 CB LYS A 47 23.105 15.970 -24.603 1.00 61.21 C ATOM 759 CG LYS A 47 22.008 16.078 -25.648 1.00 63.33 C ATOM 760 CD LYS A 47 21.561 14.708 -26.130 1.00 72.14 C ATOM 761 CE LYS A 47 20.057 14.659 -26.352 1.00 51.12 C ATOM 762 NZ LYS A 47 19.715 14.303 -27.757 1.00 73.21 N ATOM 0 H LYS A 47 24.580 15.538 -22.679 1.00 23.02 H new ATOM 0 HA LYS A 47 22.177 16.922 -22.914 1.00 1.24 H new ATOM 0 HB2 LYS A 47 23.787 16.813 -24.715 1.00 61.21 H new ATOM 0 HB3 LYS A 47 23.684 15.065 -24.788 1.00 61.21 H new ATOM 0 HG2 LYS A 47 21.156 16.613 -25.229 1.00 63.33 H new ATOM 0 HG3 LYS A 47 22.367 16.663 -26.495 1.00 63.33 H new ATOM 0 HD2 LYS A 47 22.075 14.462 -27.059 1.00 72.14 H new ATOM 0 HD3 LYS A 47 21.847 13.952 -25.398 1.00 72.14 H new ATOM 0 HE2 LYS A 47 19.613 13.930 -25.674 1.00 51.12 H new ATOM 0 HE3 LYS A 47 19.622 15.628 -26.107 1.00 51.12 H new ATOM 0 HZ1 LYS A 47 18.681 14.280 -27.867 1.00 73.21 H new ATOM 0 HZ2 LYS A 47 20.117 15.013 -28.403 1.00 73.21 H new ATOM 0 HZ3 LYS A 47 20.108 13.367 -27.984 1.00 73.21 H new ATOM 776 N VAL A 48 21.822 13.701 -22.626 1.00 25.11 N ATOM 777 CA VAL A 48 20.849 12.628 -22.463 1.00 32.01 C ATOM 778 C VAL A 48 20.884 12.065 -21.047 1.00 33.24 C ATOM 779 O VAL A 48 20.598 10.887 -20.829 1.00 32.22 O ATOM 780 CB VAL A 48 21.100 11.485 -23.464 1.00 41.13 C ATOM 781 CG1 VAL A 48 22.342 10.698 -23.076 1.00 23.12 C ATOM 782 CG2 VAL A 48 19.885 10.573 -23.547 1.00 44.23 C ATOM 0 H VAL A 48 22.781 13.439 -22.396 1.00 25.11 H new ATOM 0 HA VAL A 48 19.867 13.060 -22.655 1.00 32.01 H new ATOM 0 HB VAL A 48 21.268 11.919 -24.450 1.00 41.13 H new ATOM 0 HG11 VAL A 48 22.503 9.895 -23.795 1.00 23.12 H new ATOM 0 HG12 VAL A 48 23.207 11.361 -23.073 1.00 23.12 H new ATOM 0 HG13 VAL A 48 22.207 10.273 -22.081 1.00 23.12 H new ATOM 0 HG21 VAL A 48 20.080 9.771 -24.259 1.00 44.23 H new ATOM 0 HG22 VAL A 48 19.683 10.145 -22.565 1.00 44.23 H new ATOM 0 HG23 VAL A 48 19.020 11.148 -23.877 1.00 44.23 H new ATOM 792 N CYS A 49 21.235 12.913 -20.087 1.00 40.51 N ATOM 793 CA CYS A 49 21.308 12.501 -18.690 1.00 34.50 C ATOM 794 C CYS A 49 20.153 11.569 -18.338 1.00 34.13 C ATOM 795 O CYS A 49 20.348 10.422 -17.936 1.00 64.53 O ATOM 796 CB CYS A 49 21.289 13.725 -17.773 1.00 64.52 C ATOM 797 SG CYS A 49 22.842 14.009 -16.891 1.00 33.03 S ATOM 0 H CYS A 49 21.474 13.891 -20.251 1.00 40.51 H new ATOM 0 HA CYS A 49 22.244 11.962 -18.544 1.00 34.50 H new ATOM 0 HB2 CYS A 49 21.054 14.608 -18.368 1.00 64.52 H new ATOM 0 HB3 CYS A 49 20.486 13.608 -17.045 1.00 64.52 H new ATOM 0 HG CYS A 49 22.729 15.066 -16.143 1.00 33.03 H new ATOM 803 N PRO A 50 18.919 12.072 -18.489 1.00 14.40 N ATOM 804 CA PRO A 50 17.707 11.302 -18.191 1.00 44.31 C ATOM 805 C PRO A 50 17.476 10.175 -19.192 1.00 3.31 C ATOM 806 O PRO A 50 16.715 10.327 -20.146 1.00 60.43 O ATOM 807 CB PRO A 50 16.591 12.344 -18.292 1.00 53.41 C ATOM 808 CG PRO A 50 17.128 13.388 -19.210 1.00 22.24 C ATOM 809 CD PRO A 50 18.611 13.432 -18.963 1.00 51.21 C ATOM 0 HA PRO A 50 17.764 10.812 -17.219 1.00 44.31 H new ATOM 0 HB2 PRO A 50 15.674 11.905 -18.685 1.00 53.41 H new ATOM 0 HB3 PRO A 50 16.350 12.762 -17.315 1.00 53.41 H new ATOM 0 HG2 PRO A 50 16.912 13.142 -20.250 1.00 22.24 H new ATOM 0 HG3 PRO A 50 16.670 14.357 -19.010 1.00 22.24 H new ATOM 0 HD2 PRO A 50 19.162 13.675 -19.871 1.00 51.21 H new ATOM 0 HD3 PRO A 50 18.872 14.185 -18.220 1.00 51.21 H new ATOM 817 N ASN A 51 18.138 9.045 -18.967 1.00 23.05 N ATOM 818 CA ASN A 51 18.004 7.892 -19.849 1.00 65.14 C ATOM 819 C ASN A 51 16.539 7.628 -20.181 1.00 71.03 C ATOM 820 O ASN A 51 15.690 7.574 -19.291 1.00 24.41 O ATOM 821 CB ASN A 51 18.623 6.652 -19.201 1.00 3.14 C ATOM 822 CG ASN A 51 20.112 6.542 -19.467 1.00 42.22 C ATOM 823 OD1 ASN A 51 20.922 6.544 -18.540 1.00 31.01 O ATOM 824 ND2 ASN A 51 20.480 6.446 -20.740 1.00 14.13 N ATOM 0 H ASN A 51 18.773 8.903 -18.181 1.00 23.05 H new ATOM 0 HA ASN A 51 18.534 8.112 -20.776 1.00 65.14 H new ATOM 0 HB2 ASN A 51 18.450 6.683 -18.125 1.00 3.14 H new ATOM 0 HB3 ASN A 51 18.123 5.760 -19.578 1.00 3.14 H new ATOM 0 HD21 ASN A 51 21.468 6.370 -20.981 1.00 14.13 H new ATOM 0 HD22 ASN A 51 19.774 6.448 -21.476 1.00 14.13 H new ATOM 831 N ARG A 52 16.250 7.464 -21.468 1.00 15.20 N ATOM 832 CA ARG A 52 14.887 7.207 -21.918 1.00 31.42 C ATOM 833 C ARG A 52 14.816 5.914 -22.725 1.00 21.51 C ATOM 834 O ARG A 52 13.955 5.758 -23.592 1.00 65.30 O ATOM 835 CB ARG A 52 14.376 8.376 -22.762 1.00 20.32 C ATOM 836 CG ARG A 52 12.873 8.354 -22.986 1.00 12.23 C ATOM 837 CD ARG A 52 12.528 8.477 -24.462 1.00 14.15 C ATOM 838 NE ARG A 52 12.116 7.199 -25.036 1.00 23.13 N ATOM 839 CZ ARG A 52 12.153 6.932 -26.336 1.00 74.25 C ATOM 840 NH1 ARG A 52 12.580 7.849 -27.193 1.00 54.22 N ATOM 841 NH2 ARG A 52 11.762 5.745 -26.782 1.00 73.25 N ATOM 0 H ARG A 52 16.941 7.505 -22.217 1.00 15.20 H new ATOM 0 HA ARG A 52 14.254 7.101 -21.037 1.00 31.42 H new ATOM 0 HB2 ARG A 52 14.648 9.312 -22.274 1.00 20.32 H new ATOM 0 HB3 ARG A 52 14.879 8.362 -23.729 1.00 20.32 H new ATOM 0 HG2 ARG A 52 12.459 7.427 -22.590 1.00 12.23 H new ATOM 0 HG3 ARG A 52 12.410 9.171 -22.434 1.00 12.23 H new ATOM 0 HD2 ARG A 52 11.727 9.206 -24.588 1.00 14.15 H new ATOM 0 HD3 ARG A 52 13.393 8.857 -25.006 1.00 14.15 H new ATOM 0 HE ARG A 52 11.782 6.472 -24.404 1.00 23.13 H new ATOM 0 HH11 ARG A 52 12.881 8.763 -26.854 1.00 54.22 H new ATOM 0 HH12 ARG A 52 12.607 7.641 -28.191 1.00 54.22 H new ATOM 0 HH21 ARG A 52 11.433 5.037 -26.126 1.00 73.25 H new ATOM 0 HH22 ARG A 52 11.791 5.541 -27.781 1.00 73.25 H new ATOM 855 N CYS A 53 15.726 4.990 -22.434 1.00 40.53 N ATOM 856 CA CYS A 53 15.768 3.711 -23.134 1.00 11.22 C ATOM 857 C CYS A 53 15.020 2.638 -22.349 1.00 64.24 C ATOM 858 O CYS A 53 13.890 2.283 -22.685 1.00 43.21 O ATOM 859 CB CYS A 53 17.217 3.278 -23.361 1.00 71.11 C ATOM 860 SG CYS A 53 18.158 4.385 -24.437 1.00 63.21 S ATOM 0 H CYS A 53 16.444 5.103 -21.718 1.00 40.53 H new ATOM 0 HA CYS A 53 15.279 3.836 -24.100 1.00 11.22 H new ATOM 0 HB2 CYS A 53 17.720 3.212 -22.397 1.00 71.11 H new ATOM 0 HB3 CYS A 53 17.223 2.277 -23.793 1.00 71.11 H new ATOM 0 HG CYS A 53 19.416 4.061 -24.399 1.00 63.21 H new ATOM 866 N ASP A 54 15.659 2.123 -21.305 1.00 4.45 N ATOM 867 CA ASP A 54 15.055 1.090 -20.472 1.00 64.51 C ATOM 868 C ASP A 54 16.015 0.650 -19.370 1.00 75.13 C ATOM 869 O ASP A 54 15.875 1.051 -18.214 1.00 51.32 O ATOM 870 CB ASP A 54 14.655 -0.114 -21.327 1.00 12.12 C ATOM 871 CG ASP A 54 13.161 -0.173 -21.580 1.00 2.13 C ATOM 872 OD1 ASP A 54 12.389 0.096 -20.636 1.00 1.00 O ATOM 873 OD2 ASP A 54 12.764 -0.489 -22.721 1.00 42.21 O ATOM 0 H ASP A 54 16.596 2.404 -21.015 1.00 4.45 H new ATOM 0 HA ASP A 54 14.163 1.509 -20.006 1.00 64.51 H new ATOM 0 HB2 ASP A 54 15.181 -0.069 -22.281 1.00 12.12 H new ATOM 0 HB3 ASP A 54 14.973 -1.031 -20.830 1.00 12.12 H new ATOM 878 N LEU A 55 16.987 -0.178 -19.736 1.00 5.45 N ATOM 879 CA LEU A 55 17.970 -0.673 -18.778 1.00 20.31 C ATOM 880 C LEU A 55 18.857 0.460 -18.272 1.00 30.22 C ATOM 881 O LEU A 55 19.515 0.333 -17.240 1.00 33.34 O ATOM 882 CB LEU A 55 18.831 -1.763 -19.419 1.00 22.02 C ATOM 883 CG LEU A 55 19.187 -1.558 -20.892 1.00 2.34 C ATOM 884 CD1 LEU A 55 19.875 -0.216 -21.093 1.00 31.34 C ATOM 885 CD2 LEU A 55 20.071 -2.692 -21.390 1.00 33.01 C ATOM 0 H LEU A 55 17.116 -0.521 -20.688 1.00 5.45 H new ATOM 0 HA LEU A 55 17.433 -1.095 -17.929 1.00 20.31 H new ATOM 0 HB2 LEU A 55 19.757 -1.848 -18.851 1.00 22.02 H new ATOM 0 HB3 LEU A 55 18.309 -2.715 -19.321 1.00 22.02 H new ATOM 0 HG LEU A 55 18.265 -1.561 -21.473 1.00 2.34 H new ATOM 0 HD11 LEU A 55 20.121 -0.087 -22.147 1.00 31.34 H new ATOM 0 HD12 LEU A 55 19.208 0.586 -20.776 1.00 31.34 H new ATOM 0 HD13 LEU A 55 20.789 -0.184 -20.501 1.00 31.34 H new ATOM 0 HD21 LEU A 55 20.314 -2.529 -22.440 1.00 33.01 H new ATOM 0 HD22 LEU A 55 20.990 -2.721 -20.805 1.00 33.01 H new ATOM 0 HD23 LEU A 55 19.543 -3.639 -21.282 1.00 33.01 H new ATOM 897 N ALA A 56 18.868 1.568 -19.005 1.00 11.31 N ATOM 898 CA ALA A 56 19.670 2.725 -18.628 1.00 43.42 C ATOM 899 C ALA A 56 18.883 3.669 -17.725 1.00 21.42 C ATOM 900 O ALA A 56 19.459 4.389 -16.908 1.00 60.43 O ATOM 901 CB ALA A 56 20.152 3.461 -19.870 1.00 70.52 C ATOM 0 H ALA A 56 18.331 1.689 -19.863 1.00 11.31 H new ATOM 0 HA ALA A 56 20.536 2.368 -18.070 1.00 43.42 H new ATOM 0 HB1 ALA A 56 20.750 4.323 -19.573 1.00 70.52 H new ATOM 0 HB2 ALA A 56 20.759 2.790 -20.478 1.00 70.52 H new ATOM 0 HB3 ALA A 56 19.293 3.798 -20.450 1.00 70.52 H new ATOM 907 N THR A 57 17.562 3.661 -17.876 1.00 43.03 N ATOM 908 CA THR A 57 16.696 4.517 -17.076 1.00 2.14 C ATOM 909 C THR A 57 16.567 3.990 -15.651 1.00 50.01 C ATOM 910 O THR A 57 16.612 4.756 -14.689 1.00 51.43 O ATOM 911 CB THR A 57 15.292 4.634 -17.697 1.00 73.22 C ATOM 912 OG1 THR A 57 15.395 5.019 -19.072 1.00 60.15 O ATOM 913 CG2 THR A 57 14.449 5.651 -16.942 1.00 72.35 C ATOM 0 H THR A 57 17.069 3.070 -18.546 1.00 43.03 H new ATOM 0 HA THR A 57 17.159 5.504 -17.055 1.00 2.14 H new ATOM 0 HB THR A 57 14.806 3.661 -17.628 1.00 73.22 H new ATOM 0 HG1 THR A 57 15.140 5.960 -19.168 1.00 60.15 H new ATOM 0 HG21 THR A 57 13.462 5.716 -17.399 1.00 72.35 H new ATOM 0 HG22 THR A 57 14.348 5.340 -15.902 1.00 72.35 H new ATOM 0 HG23 THR A 57 14.933 6.627 -16.983 1.00 72.35 H new ATOM 921 N ALA A 58 16.407 2.677 -15.523 1.00 71.12 N ATOM 922 CA ALA A 58 16.274 2.047 -14.215 1.00 50.43 C ATOM 923 C ALA A 58 17.625 1.942 -13.517 1.00 25.30 C ATOM 924 O ALA A 58 17.754 2.273 -12.339 1.00 15.12 O ATOM 925 CB ALA A 58 15.640 0.671 -14.354 1.00 3.10 C ATOM 0 H ALA A 58 16.366 2.029 -16.309 1.00 71.12 H new ATOM 0 HA ALA A 58 15.626 2.673 -13.602 1.00 50.43 H new ATOM 0 HB1 ALA A 58 15.547 0.212 -13.370 1.00 3.10 H new ATOM 0 HB2 ALA A 58 14.652 0.769 -14.804 1.00 3.10 H new ATOM 0 HB3 ALA A 58 16.266 0.044 -14.989 1.00 3.10 H new ATOM 931 N ALA A 59 18.631 1.477 -14.251 1.00 41.44 N ATOM 932 CA ALA A 59 19.973 1.329 -13.703 1.00 2.45 C ATOM 933 C ALA A 59 20.512 2.666 -13.203 1.00 65.51 C ATOM 934 O ALA A 59 21.121 2.740 -12.136 1.00 3.14 O ATOM 935 CB ALA A 59 20.908 0.738 -14.747 1.00 23.22 C ATOM 0 H ALA A 59 18.541 1.196 -15.227 1.00 41.44 H new ATOM 0 HA ALA A 59 19.919 0.648 -12.854 1.00 2.45 H new ATOM 0 HB1 ALA A 59 21.907 0.633 -14.323 1.00 23.22 H new ATOM 0 HB2 ALA A 59 20.539 -0.241 -15.053 1.00 23.22 H new ATOM 0 HB3 ALA A 59 20.949 1.398 -15.614 1.00 23.22 H new ATOM 941 N ASP A 60 20.286 3.718 -13.982 1.00 32.24 N ATOM 942 CA ASP A 60 20.749 5.052 -13.618 1.00 32.12 C ATOM 943 C ASP A 60 20.051 5.543 -12.353 1.00 44.11 C ATOM 944 O ASP A 60 20.678 6.146 -11.482 1.00 14.35 O ATOM 945 CB ASP A 60 20.500 6.032 -14.766 1.00 23.25 C ATOM 946 CG ASP A 60 20.756 7.471 -14.364 1.00 5.02 C ATOM 947 OD1 ASP A 60 19.819 8.121 -13.854 1.00 44.14 O ATOM 948 OD2 ASP A 60 21.894 7.947 -14.558 1.00 3.12 O ATOM 0 H ASP A 60 19.785 3.673 -14.869 1.00 32.24 H new ATOM 0 HA ASP A 60 21.820 4.998 -13.423 1.00 32.12 H new ATOM 0 HB2 ASP A 60 21.143 5.773 -15.607 1.00 23.25 H new ATOM 0 HB3 ASP A 60 19.470 5.931 -15.109 1.00 23.25 H new ATOM 953 N ARG A 61 18.752 5.282 -12.261 1.00 34.44 N ATOM 954 CA ARG A 61 17.969 5.699 -11.104 1.00 13.12 C ATOM 955 C ARG A 61 18.597 5.190 -9.810 1.00 2.43 C ATOM 956 O ARG A 61 18.624 5.896 -8.802 1.00 35.12 O ATOM 957 CB ARG A 61 16.532 5.187 -11.222 1.00 22.54 C ATOM 958 CG ARG A 61 15.500 6.293 -11.365 1.00 4.45 C ATOM 959 CD ARG A 61 15.771 7.153 -12.590 1.00 23.34 C ATOM 960 NE ARG A 61 16.505 8.370 -12.253 1.00 63.41 N ATOM 961 CZ ARG A 61 15.933 9.459 -11.752 1.00 73.44 C ATOM 962 NH1 ARG A 61 14.626 9.482 -11.531 1.00 13.10 N ATOM 963 NH2 ARG A 61 16.668 10.527 -11.472 1.00 30.13 N ATOM 0 H ARG A 61 18.219 4.784 -12.974 1.00 34.44 H new ATOM 0 HA ARG A 61 17.958 6.789 -11.078 1.00 13.12 H new ATOM 0 HB2 ARG A 61 16.462 4.523 -12.083 1.00 22.54 H new ATOM 0 HB3 ARG A 61 16.294 4.592 -10.340 1.00 22.54 H new ATOM 0 HG2 ARG A 61 14.504 5.856 -11.439 1.00 4.45 H new ATOM 0 HG3 ARG A 61 15.508 6.917 -10.472 1.00 4.45 H new ATOM 0 HD2 ARG A 61 16.340 6.576 -13.319 1.00 23.34 H new ATOM 0 HD3 ARG A 61 14.825 7.419 -13.062 1.00 23.34 H new ATOM 0 HE ARG A 61 17.513 8.384 -12.411 1.00 63.41 H new ATOM 0 HH11 ARG A 61 14.058 8.662 -11.746 1.00 13.10 H new ATOM 0 HH12 ARG A 61 14.188 10.319 -11.146 1.00 13.10 H new ATOM 0 HH21 ARG A 61 17.674 10.513 -11.641 1.00 30.13 H new ATOM 0 HH22 ARG A 61 16.227 11.363 -11.087 1.00 30.13 H new ATOM 977 N ALA A 62 19.101 3.961 -9.846 1.00 45.41 N ATOM 978 CA ALA A 62 19.731 3.359 -8.678 1.00 32.05 C ATOM 979 C ALA A 62 21.193 3.778 -8.564 1.00 73.32 C ATOM 980 O ALA A 62 21.663 4.137 -7.485 1.00 64.43 O ATOM 981 CB ALA A 62 19.617 1.843 -8.740 1.00 22.04 C ATOM 0 H ALA A 62 19.085 3.363 -10.672 1.00 45.41 H new ATOM 0 HA ALA A 62 19.209 3.716 -7.790 1.00 32.05 H new ATOM 0 HB1 ALA A 62 20.092 1.406 -7.861 1.00 22.04 H new ATOM 0 HB2 ALA A 62 18.565 1.558 -8.764 1.00 22.04 H new ATOM 0 HB3 ALA A 62 20.112 1.477 -9.640 1.00 22.04 H new ATOM 987 N ALA A 63 21.906 3.728 -9.684 1.00 41.44 N ATOM 988 CA ALA A 63 23.314 4.104 -9.710 1.00 62.14 C ATOM 989 C ALA A 63 23.512 5.528 -9.203 1.00 40.31 C ATOM 990 O ALA A 63 24.526 5.841 -8.578 1.00 73.10 O ATOM 991 CB ALA A 63 23.873 3.961 -11.119 1.00 34.15 C ATOM 0 H ALA A 63 21.532 3.431 -10.585 1.00 41.44 H new ATOM 0 HA ALA A 63 23.856 3.431 -9.045 1.00 62.14 H new ATOM 0 HB1 ALA A 63 24.925 4.245 -11.124 1.00 34.15 H new ATOM 0 HB2 ALA A 63 23.775 2.926 -11.446 1.00 34.15 H new ATOM 0 HB3 ALA A 63 23.319 4.610 -11.798 1.00 34.15 H new ATOM 997 N LYS A 64 22.538 6.389 -9.476 1.00 53.44 N ATOM 998 CA LYS A 64 22.603 7.781 -9.048 1.00 5.45 C ATOM 999 C LYS A 64 22.623 7.881 -7.526 1.00 2.44 C ATOM 1000 O LYS A 64 22.976 8.919 -6.967 1.00 12.04 O ATOM 1001 CB LYS A 64 21.413 8.565 -9.605 1.00 44.24 C ATOM 1002 CG LYS A 64 21.567 8.945 -11.068 1.00 1.31 C ATOM 1003 CD LYS A 64 22.321 10.255 -11.227 1.00 71.14 C ATOM 1004 CE LYS A 64 23.763 10.020 -11.649 1.00 25.05 C ATOM 1005 NZ LYS A 64 24.508 11.299 -11.814 1.00 62.14 N ATOM 0 H LYS A 64 21.693 6.147 -9.993 1.00 53.44 H new ATOM 0 HA LYS A 64 23.526 8.211 -9.436 1.00 5.45 H new ATOM 0 HB2 LYS A 64 20.508 7.969 -9.486 1.00 44.24 H new ATOM 0 HB3 LYS A 64 21.277 9.471 -9.015 1.00 44.24 H new ATOM 0 HG2 LYS A 64 22.097 8.153 -11.597 1.00 1.31 H new ATOM 0 HG3 LYS A 64 20.583 9.032 -11.528 1.00 1.31 H new ATOM 0 HD2 LYS A 64 21.820 10.877 -11.969 1.00 71.14 H new ATOM 0 HD3 LYS A 64 22.301 10.804 -10.286 1.00 71.14 H new ATOM 0 HE2 LYS A 64 24.263 9.402 -10.904 1.00 25.05 H new ATOM 0 HE3 LYS A 64 23.781 9.465 -12.587 1.00 25.05 H new ATOM 0 HZ1 LYS A 64 25.487 11.096 -12.102 1.00 62.14 H new ATOM 0 HZ2 LYS A 64 24.046 11.879 -12.543 1.00 62.14 H new ATOM 0 HZ3 LYS A 64 24.513 11.817 -10.912 1.00 62.14 H new ATOM 1019 N GLY A 65 22.243 6.795 -6.860 1.00 61.44 N ATOM 1020 CA GLY A 65 22.226 6.781 -5.409 1.00 50.23 C ATOM 1021 C GLY A 65 20.855 6.457 -4.849 1.00 4.23 C ATOM 1022 O GLY A 65 20.595 6.671 -3.665 1.00 24.40 O ATOM 0 H GLY A 65 21.946 5.924 -7.300 1.00 61.44 H new ATOM 0 HA2 GLY A 65 22.946 6.047 -5.047 1.00 50.23 H new ATOM 0 HA3 GLY A 65 22.547 7.753 -5.035 1.00 50.23 H new ATOM 1026 N ALA A 66 19.976 5.942 -5.701 1.00 72.22 N ATOM 1027 CA ALA A 66 18.625 5.588 -5.284 1.00 72.31 C ATOM 1028 C ALA A 66 17.952 6.748 -4.558 1.00 45.13 C ATOM 1029 O ALA A 66 17.672 6.666 -3.362 1.00 71.12 O ATOM 1030 CB ALA A 66 18.653 4.353 -4.396 1.00 23.40 C ATOM 0 H ALA A 66 20.175 5.760 -6.685 1.00 72.22 H new ATOM 0 HA ALA A 66 18.042 5.366 -6.178 1.00 72.31 H new ATOM 0 HB1 ALA A 66 17.637 4.100 -4.092 1.00 23.40 H new ATOM 0 HB2 ALA A 66 19.085 3.518 -4.948 1.00 23.40 H new ATOM 0 HB3 ALA A 66 19.257 4.555 -3.511 1.00 23.40 H new ATOM 1036 N TYR A 67 17.697 7.828 -5.288 1.00 45.13 N ATOM 1037 CA TYR A 67 17.061 9.007 -4.713 1.00 32.22 C ATOM 1038 C TYR A 67 15.797 8.625 -3.948 1.00 61.21 C ATOM 1039 O TYR A 67 14.759 8.340 -4.544 1.00 42.22 O ATOM 1040 CB TYR A 67 16.720 10.016 -5.811 1.00 25.22 C ATOM 1041 CG TYR A 67 17.590 11.252 -5.788 1.00 3.44 C ATOM 1042 CD1 TYR A 67 18.975 11.150 -5.739 1.00 2.43 C ATOM 1043 CD2 TYR A 67 17.028 12.522 -5.814 1.00 14.44 C ATOM 1044 CE1 TYR A 67 19.774 12.277 -5.717 1.00 1.24 C ATOM 1045 CE2 TYR A 67 17.819 13.655 -5.793 1.00 73.34 C ATOM 1046 CZ TYR A 67 19.191 13.527 -5.745 1.00 22.04 C ATOM 1047 OH TYR A 67 19.983 14.653 -5.723 1.00 34.51 O ATOM 0 H TYR A 67 17.921 7.911 -6.280 1.00 45.13 H new ATOM 0 HA TYR A 67 17.763 9.463 -4.015 1.00 32.22 H new ATOM 0 HB2 TYR A 67 16.818 9.531 -6.782 1.00 25.22 H new ATOM 0 HB3 TYR A 67 15.677 10.314 -5.708 1.00 25.22 H new ATOM 0 HD1 TYR A 67 19.435 10.173 -5.718 1.00 2.43 H new ATOM 0 HD2 TYR A 67 15.954 12.626 -5.851 1.00 14.44 H new ATOM 0 HE1 TYR A 67 20.849 12.180 -5.678 1.00 1.24 H new ATOM 0 HE2 TYR A 67 17.365 14.635 -5.814 1.00 73.34 H new ATOM 0 HH TYR A 67 19.416 15.452 -5.749 1.00 34.51 H new ATOM 1057 N GLY A 68 15.894 8.622 -2.622 1.00 33.40 N ATOM 1058 CA GLY A 68 14.752 8.274 -1.796 1.00 23.01 C ATOM 1059 C GLY A 68 13.701 9.365 -1.771 1.00 55.33 C ATOM 1060 O GLY A 68 13.585 10.147 -2.715 1.00 50.14 O ATOM 0 H GLY A 68 16.742 8.854 -2.105 1.00 33.40 H new ATOM 0 HA2 GLY A 68 14.305 7.352 -2.169 1.00 23.01 H new ATOM 0 HA3 GLY A 68 15.090 8.076 -0.779 1.00 23.01 H new ATOM 1064 N TYR A 69 12.931 9.418 -0.690 1.00 54.22 N ATOM 1065 CA TYR A 69 11.880 10.419 -0.548 1.00 51.24 C ATOM 1066 C TYR A 69 10.924 10.378 -1.737 1.00 45.31 C ATOM 1067 O TYR A 69 11.101 11.105 -2.715 1.00 12.10 O ATOM 1068 CB TYR A 69 12.491 11.815 -0.419 1.00 11.42 C ATOM 1069 CG TYR A 69 12.660 12.272 1.013 1.00 64.33 C ATOM 1070 CD1 TYR A 69 11.590 12.256 1.899 1.00 40.03 C ATOM 1071 CD2 TYR A 69 13.890 12.719 1.479 1.00 1.42 C ATOM 1072 CE1 TYR A 69 11.740 12.673 3.207 1.00 32.43 C ATOM 1073 CE2 TYR A 69 14.049 13.136 2.786 1.00 5.35 C ATOM 1074 CZ TYR A 69 12.971 13.111 3.647 1.00 45.34 C ATOM 1075 OH TYR A 69 13.126 13.527 4.949 1.00 12.32 O ATOM 0 H TYR A 69 13.015 8.779 0.101 1.00 54.22 H new ATOM 0 HA TYR A 69 11.316 10.191 0.357 1.00 51.24 H new ATOM 0 HB2 TYR A 69 13.463 11.824 -0.912 1.00 11.42 H new ATOM 0 HB3 TYR A 69 11.859 12.529 -0.947 1.00 11.42 H new ATOM 0 HD1 TYR A 69 10.624 11.912 1.559 1.00 40.03 H new ATOM 0 HD2 TYR A 69 14.736 12.741 0.808 1.00 1.42 H new ATOM 0 HE1 TYR A 69 10.897 12.656 3.882 1.00 32.43 H new ATOM 0 HE2 TYR A 69 15.012 13.480 3.132 1.00 5.35 H new ATOM 0 HH TYR A 69 14.055 13.803 5.096 1.00 12.32 H new ATOM 1085 N ASP A 70 9.912 9.523 -1.645 1.00 10.35 N ATOM 1086 CA ASP A 70 8.926 9.387 -2.710 1.00 42.35 C ATOM 1087 C ASP A 70 7.519 9.256 -2.136 1.00 1.01 C ATOM 1088 O ASP A 70 7.237 8.344 -1.359 1.00 22.04 O ATOM 1089 CB ASP A 70 9.250 8.173 -3.582 1.00 20.32 C ATOM 1090 CG ASP A 70 9.109 8.468 -5.062 1.00 74.11 C ATOM 1091 OD1 ASP A 70 8.167 9.200 -5.434 1.00 62.43 O ATOM 1092 OD2 ASP A 70 9.940 7.968 -5.848 1.00 73.14 O ATOM 0 H ASP A 70 9.753 8.913 -0.843 1.00 10.35 H new ATOM 0 HA ASP A 70 8.965 10.287 -3.324 1.00 42.35 H new ATOM 0 HB2 ASP A 70 10.268 7.843 -3.376 1.00 20.32 H new ATOM 0 HB3 ASP A 70 8.588 7.350 -3.314 1.00 20.32 H new ATOM 1097 N VAL A 71 6.639 10.174 -2.523 1.00 2.21 N ATOM 1098 CA VAL A 71 5.261 10.161 -2.047 1.00 3.44 C ATOM 1099 C VAL A 71 4.550 8.877 -2.456 1.00 62.42 C ATOM 1100 O VAL A 71 3.596 8.450 -1.806 1.00 42.03 O ATOM 1101 CB VAL A 71 4.470 11.368 -2.586 1.00 32.32 C ATOM 1102 CG1 VAL A 71 4.283 11.254 -4.091 1.00 35.00 C ATOM 1103 CG2 VAL A 71 3.127 11.482 -1.880 1.00 71.42 C ATOM 0 H VAL A 71 6.856 10.936 -3.165 1.00 2.21 H new ATOM 0 HA VAL A 71 5.301 10.219 -0.959 1.00 3.44 H new ATOM 0 HB VAL A 71 5.040 12.275 -2.383 1.00 32.32 H new ATOM 0 HG11 VAL A 71 3.722 12.115 -4.454 1.00 35.00 H new ATOM 0 HG12 VAL A 71 5.258 11.224 -4.578 1.00 35.00 H new ATOM 0 HG13 VAL A 71 3.735 10.341 -4.321 1.00 35.00 H new ATOM 0 HG21 VAL A 71 2.581 12.340 -2.273 1.00 71.42 H new ATOM 0 HG22 VAL A 71 2.548 10.574 -2.051 1.00 71.42 H new ATOM 0 HG23 VAL A 71 3.288 11.614 -0.810 1.00 71.42 H new ATOM 1113 N GLN A 72 5.022 8.265 -3.538 1.00 31.33 N ATOM 1114 CA GLN A 72 4.430 7.028 -4.034 1.00 63.12 C ATOM 1115 C GLN A 72 5.222 6.483 -5.219 1.00 13.05 C ATOM 1116 O GLN A 72 4.646 6.074 -6.228 1.00 42.20 O ATOM 1117 CB GLN A 72 2.975 7.262 -4.442 1.00 72.05 C ATOM 1118 CG GLN A 72 2.106 6.019 -4.339 1.00 24.51 C ATOM 1119 CD GLN A 72 2.048 5.463 -2.930 1.00 0.25 C ATOM 1120 OE1 GLN A 72 2.188 4.258 -2.718 1.00 41.24 O ATOM 1121 NE2 GLN A 72 1.840 6.341 -1.955 1.00 45.11 N ATOM 0 H GLN A 72 5.811 8.605 -4.087 1.00 31.33 H new ATOM 0 HA GLN A 72 4.460 6.292 -3.231 1.00 63.12 H new ATOM 0 HB2 GLN A 72 2.551 8.044 -3.812 1.00 72.05 H new ATOM 0 HB3 GLN A 72 2.949 7.629 -5.468 1.00 72.05 H new ATOM 0 HG2 GLN A 72 1.096 6.257 -4.673 1.00 24.51 H new ATOM 0 HG3 GLN A 72 2.492 5.253 -5.012 1.00 24.51 H new ATOM 0 HE21 GLN A 72 1.729 7.331 -2.175 1.00 45.11 H new ATOM 0 HE22 GLN A 72 1.791 6.025 -0.986 1.00 45.11 H new ATOM 1130 N LEU A 73 6.544 6.480 -5.089 1.00 52.31 N ATOM 1131 CA LEU A 73 7.415 5.986 -6.149 1.00 63.43 C ATOM 1132 C LEU A 73 7.074 6.640 -7.484 1.00 62.03 C ATOM 1133 O LEU A 73 7.070 5.985 -8.527 1.00 23.51 O ATOM 1134 CB LEU A 73 7.295 4.465 -6.268 1.00 15.31 C ATOM 1135 CG LEU A 73 7.583 3.668 -4.996 1.00 22.23 C ATOM 1136 CD1 LEU A 73 8.775 4.256 -4.256 1.00 35.03 C ATOM 1137 CD2 LEU A 73 6.356 3.637 -4.096 1.00 24.32 C ATOM 0 H LEU A 73 7.036 6.814 -4.260 1.00 52.31 H new ATOM 0 HA LEU A 73 8.442 6.244 -5.891 1.00 63.43 H new ATOM 0 HB2 LEU A 73 6.286 4.225 -6.602 1.00 15.31 H new ATOM 0 HB3 LEU A 73 7.978 4.127 -7.047 1.00 15.31 H new ATOM 0 HG LEU A 73 7.826 2.644 -5.279 1.00 22.23 H new ATOM 0 HD11 LEU A 73 8.965 3.676 -3.353 1.00 35.03 H new ATOM 0 HD12 LEU A 73 9.654 4.225 -4.899 1.00 35.03 H new ATOM 0 HD13 LEU A 73 8.561 5.290 -3.984 1.00 35.03 H new ATOM 0 HD21 LEU A 73 6.580 3.065 -3.195 1.00 24.32 H new ATOM 0 HD22 LEU A 73 6.081 4.655 -3.821 1.00 24.32 H new ATOM 0 HD23 LEU A 73 5.527 3.168 -4.627 1.00 24.32 H new ATOM 1149 N THR A 74 6.790 7.938 -7.446 1.00 10.12 N ATOM 1150 CA THR A 74 6.449 8.682 -8.652 1.00 31.12 C ATOM 1151 C THR A 74 7.675 8.893 -9.533 1.00 11.13 C ATOM 1152 O THR A 74 7.555 9.156 -10.730 1.00 30.21 O ATOM 1153 CB THR A 74 5.833 10.052 -8.311 1.00 43.34 C ATOM 1154 OG1 THR A 74 4.697 9.880 -7.458 1.00 13.34 O ATOM 1155 CG2 THR A 74 5.417 10.788 -9.576 1.00 61.33 C ATOM 0 H THR A 74 6.789 8.496 -6.592 1.00 10.12 H new ATOM 0 HA THR A 74 5.714 8.087 -9.194 1.00 31.12 H new ATOM 0 HB THR A 74 6.587 10.646 -7.795 1.00 43.34 H new ATOM 0 HG1 THR A 74 4.312 10.756 -7.245 1.00 13.34 H new ATOM 0 HG21 THR A 74 4.985 11.753 -9.310 1.00 61.33 H new ATOM 0 HG22 THR A 74 6.290 10.944 -10.210 1.00 61.33 H new ATOM 0 HG23 THR A 74 4.678 10.196 -10.115 1.00 61.33 H new ATOM 1163 N THR A 75 8.856 8.776 -8.933 1.00 71.05 N ATOM 1164 CA THR A 75 10.105 8.954 -9.664 1.00 15.54 C ATOM 1165 C THR A 75 10.272 7.884 -10.736 1.00 40.32 C ATOM 1166 O THR A 75 10.552 8.191 -11.896 1.00 2.42 O ATOM 1167 CB THR A 75 11.320 8.912 -8.718 1.00 35.32 C ATOM 1168 OG1 THR A 75 11.375 7.647 -8.048 1.00 14.42 O ATOM 1169 CG2 THR A 75 11.246 10.032 -7.692 1.00 1.34 C ATOM 0 H THR A 75 8.974 8.559 -7.943 1.00 71.05 H new ATOM 0 HA THR A 75 10.057 9.934 -10.138 1.00 15.54 H new ATOM 0 HB THR A 75 12.222 9.047 -9.315 1.00 35.32 H new ATOM 0 HG1 THR A 75 10.873 7.700 -7.208 1.00 14.42 H new ATOM 0 HG21 THR A 75 12.115 9.982 -7.035 1.00 1.34 H new ATOM 0 HG22 THR A 75 11.233 10.994 -8.204 1.00 1.34 H new ATOM 0 HG23 THR A 75 10.337 9.924 -7.100 1.00 1.34 H new ATOM 1177 N LEU A 76 10.098 6.627 -10.343 1.00 44.33 N ATOM 1178 CA LEU A 76 10.230 5.510 -11.272 1.00 54.22 C ATOM 1179 C LEU A 76 8.997 5.395 -12.163 1.00 35.34 C ATOM 1180 O LEU A 76 9.089 4.986 -13.320 1.00 61.22 O ATOM 1181 CB LEU A 76 10.442 4.205 -10.504 1.00 21.40 C ATOM 1182 CG LEU A 76 11.386 3.191 -11.152 1.00 31.34 C ATOM 1183 CD1 LEU A 76 12.806 3.382 -10.642 1.00 32.44 C ATOM 1184 CD2 LEU A 76 10.908 1.771 -10.885 1.00 33.13 C ATOM 0 H LEU A 76 9.865 6.356 -9.388 1.00 44.33 H new ATOM 0 HA LEU A 76 11.097 5.696 -11.905 1.00 54.22 H new ATOM 0 HB2 LEU A 76 10.826 4.448 -9.513 1.00 21.40 H new ATOM 0 HB3 LEU A 76 9.472 3.729 -10.361 1.00 21.40 H new ATOM 0 HG LEU A 76 11.383 3.358 -12.229 1.00 31.34 H new ATOM 0 HD11 LEU A 76 13.463 2.652 -11.114 1.00 32.44 H new ATOM 0 HD12 LEU A 76 13.148 4.388 -10.885 1.00 32.44 H new ATOM 0 HD13 LEU A 76 12.826 3.243 -9.561 1.00 32.44 H new ATOM 0 HD21 LEU A 76 11.592 1.063 -11.353 1.00 33.13 H new ATOM 0 HD22 LEU A 76 10.881 1.592 -9.810 1.00 33.13 H new ATOM 0 HD23 LEU A 76 9.909 1.639 -11.300 1.00 33.13 H new ATOM 1196 N LYS A 77 7.842 5.760 -11.616 1.00 30.44 N ATOM 1197 CA LYS A 77 6.590 5.701 -12.360 1.00 74.20 C ATOM 1198 C LYS A 77 6.541 6.787 -13.430 1.00 64.43 C ATOM 1199 O LYS A 77 5.947 6.599 -14.491 1.00 34.41 O ATOM 1200 CB LYS A 77 5.400 5.853 -11.410 1.00 11.43 C ATOM 1201 CG LYS A 77 4.302 4.830 -11.641 1.00 15.10 C ATOM 1202 CD LYS A 77 4.758 3.429 -11.272 1.00 23.32 C ATOM 1203 CE LYS A 77 5.051 3.312 -9.784 1.00 24.21 C ATOM 1204 NZ LYS A 77 6.510 3.177 -9.515 1.00 12.23 N ATOM 0 H LYS A 77 7.748 6.100 -10.659 1.00 30.44 H new ATOM 0 HA LYS A 77 6.534 4.729 -12.850 1.00 74.20 H new ATOM 0 HB2 LYS A 77 5.753 5.768 -10.382 1.00 11.43 H new ATOM 0 HB3 LYS A 77 4.982 6.853 -11.522 1.00 11.43 H new ATOM 0 HG2 LYS A 77 3.426 5.096 -11.050 1.00 15.10 H new ATOM 0 HG3 LYS A 77 3.999 4.851 -12.688 1.00 15.10 H new ATOM 0 HD2 LYS A 77 3.988 2.710 -11.550 1.00 23.32 H new ATOM 0 HD3 LYS A 77 5.652 3.175 -11.841 1.00 23.32 H new ATOM 0 HE2 LYS A 77 4.666 4.192 -9.268 1.00 24.21 H new ATOM 0 HE3 LYS A 77 4.525 2.448 -9.377 1.00 24.21 H new ATOM 0 HZ1 LYS A 77 6.664 2.435 -8.803 1.00 12.23 H new ATOM 0 HZ2 LYS A 77 7.003 2.921 -10.394 1.00 12.23 H new ATOM 0 HZ3 LYS A 77 6.883 4.081 -9.160 1.00 12.23 H new ATOM 1218 N GLU A 78 7.172 7.921 -13.145 1.00 4.33 N ATOM 1219 CA GLU A 78 7.201 9.036 -14.084 1.00 40.12 C ATOM 1220 C GLU A 78 8.165 8.755 -15.233 1.00 70.43 C ATOM 1221 O GLU A 78 7.927 9.161 -16.371 1.00 3.22 O ATOM 1222 CB GLU A 78 7.607 10.326 -13.368 1.00 30.33 C ATOM 1223 CG GLU A 78 7.731 11.524 -14.294 1.00 71.42 C ATOM 1224 CD GLU A 78 7.191 12.798 -13.675 1.00 55.12 C ATOM 1225 OE1 GLU A 78 7.572 13.107 -12.527 1.00 44.40 O ATOM 1226 OE2 GLU A 78 6.386 13.486 -14.338 1.00 63.32 O ATOM 0 H GLU A 78 7.670 8.092 -12.271 1.00 4.33 H new ATOM 0 HA GLU A 78 6.198 9.157 -14.494 1.00 40.12 H new ATOM 0 HB2 GLU A 78 6.871 10.549 -12.595 1.00 30.33 H new ATOM 0 HB3 GLU A 78 8.560 10.167 -12.864 1.00 30.33 H new ATOM 0 HG2 GLU A 78 8.779 11.668 -14.557 1.00 71.42 H new ATOM 0 HG3 GLU A 78 7.195 11.319 -15.221 1.00 71.42 H new ATOM 1233 N ASP A 79 9.253 8.057 -14.927 1.00 42.10 N ATOM 1234 CA ASP A 79 10.254 7.720 -15.933 1.00 53.21 C ATOM 1235 C ASP A 79 9.697 6.717 -16.939 1.00 10.15 C ATOM 1236 O ASP A 79 9.819 6.905 -18.149 1.00 73.35 O ATOM 1237 CB ASP A 79 11.507 7.151 -15.266 1.00 71.23 C ATOM 1238 CG ASP A 79 12.738 7.996 -15.530 1.00 34.03 C ATOM 1239 OD1 ASP A 79 13.039 8.253 -16.714 1.00 61.23 O ATOM 1240 OD2 ASP A 79 13.399 8.401 -14.551 1.00 51.42 O ATOM 0 H ASP A 79 9.465 7.713 -13.990 1.00 42.10 H new ATOM 0 HA ASP A 79 10.519 8.633 -16.466 1.00 53.21 H new ATOM 0 HB2 ASP A 79 11.342 7.080 -14.191 1.00 71.23 H new ATOM 0 HB3 ASP A 79 11.680 6.138 -15.629 1.00 71.23 H new ATOM 1245 N ILE A 80 9.087 5.652 -16.429 1.00 4.35 N ATOM 1246 CA ILE A 80 8.512 4.620 -17.282 1.00 4.00 C ATOM 1247 C ILE A 80 7.489 5.211 -18.246 1.00 30.22 C ATOM 1248 O ILE A 80 7.528 4.947 -19.448 1.00 25.24 O ATOM 1249 CB ILE A 80 7.838 3.513 -16.450 1.00 63.12 C ATOM 1250 CG1 ILE A 80 8.867 2.459 -16.035 1.00 72.11 C ATOM 1251 CG2 ILE A 80 6.705 2.874 -17.239 1.00 23.51 C ATOM 1252 CD1 ILE A 80 9.443 1.685 -17.200 1.00 40.21 C ATOM 0 H ILE A 80 8.978 5.482 -15.429 1.00 4.35 H new ATOM 0 HA ILE A 80 9.334 4.186 -17.850 1.00 4.00 H new ATOM 0 HB ILE A 80 7.420 3.960 -15.548 1.00 63.12 H new ATOM 0 HG12 ILE A 80 9.679 2.948 -15.497 1.00 72.11 H new ATOM 0 HG13 ILE A 80 8.400 1.761 -15.341 1.00 72.11 H new ATOM 0 HG21 ILE A 80 6.238 2.094 -16.638 1.00 23.51 H new ATOM 0 HG22 ILE A 80 5.963 3.632 -17.489 1.00 23.51 H new ATOM 0 HG23 ILE A 80 7.101 2.438 -18.156 1.00 23.51 H new ATOM 0 HD11 ILE A 80 10.165 0.956 -16.831 1.00 40.21 H new ATOM 0 HD12 ILE A 80 8.640 1.167 -17.725 1.00 40.21 H new ATOM 0 HD13 ILE A 80 9.940 2.373 -17.884 1.00 40.21 H new ATOM 1264 N ARG A 81 6.574 6.013 -17.711 1.00 24.25 N ATOM 1265 CA ARG A 81 5.540 6.642 -18.523 1.00 44.02 C ATOM 1266 C ARG A 81 6.154 7.616 -19.524 1.00 52.55 C ATOM 1267 O ARG A 81 5.639 7.794 -20.629 1.00 42.24 O ATOM 1268 CB ARG A 81 4.537 7.375 -17.631 1.00 55.05 C ATOM 1269 CG ARG A 81 5.141 8.537 -16.861 1.00 44.43 C ATOM 1270 CD ARG A 81 4.083 9.295 -16.074 1.00 24.52 C ATOM 1271 NE ARG A 81 3.686 8.580 -14.864 1.00 2.24 N ATOM 1272 CZ ARG A 81 2.899 9.100 -13.928 1.00 60.13 C ATOM 1273 NH1 ARG A 81 2.427 10.331 -14.064 1.00 10.52 N ATOM 1274 NH2 ARG A 81 2.582 8.387 -12.855 1.00 1.11 N ATOM 0 H ARG A 81 6.528 6.242 -16.718 1.00 24.25 H new ATOM 0 HA ARG A 81 5.020 5.859 -19.075 1.00 44.02 H new ATOM 0 HB2 ARG A 81 3.718 7.746 -18.248 1.00 55.05 H new ATOM 0 HB3 ARG A 81 4.107 6.666 -16.924 1.00 55.05 H new ATOM 0 HG2 ARG A 81 5.906 8.165 -16.179 1.00 44.43 H new ATOM 0 HG3 ARG A 81 5.636 9.216 -17.555 1.00 44.43 H new ATOM 0 HD2 ARG A 81 4.467 10.279 -15.804 1.00 24.52 H new ATOM 0 HD3 ARG A 81 3.208 9.456 -16.704 1.00 24.52 H new ATOM 0 HE ARG A 81 4.032 7.630 -14.730 1.00 2.24 H new ATOM 0 HH11 ARG A 81 2.668 10.881 -14.888 1.00 10.52 H new ATOM 0 HH12 ARG A 81 1.823 10.728 -13.344 1.00 10.52 H new ATOM 0 HH21 ARG A 81 2.942 7.439 -12.748 1.00 1.11 H new ATOM 0 HH22 ARG A 81 1.978 8.787 -12.137 1.00 1.11 H new ATOM 1288 N LEU A 82 7.256 8.246 -19.131 1.00 34.43 N ATOM 1289 CA LEU A 82 7.940 9.203 -19.993 1.00 73.11 C ATOM 1290 C LEU A 82 8.603 8.497 -21.172 1.00 13.23 C ATOM 1291 O LEU A 82 8.602 9.006 -22.292 1.00 74.54 O ATOM 1292 CB LEU A 82 8.987 9.981 -19.195 1.00 23.43 C ATOM 1293 CG LEU A 82 9.561 11.225 -19.874 1.00 21.24 C ATOM 1294 CD1 LEU A 82 10.528 10.831 -20.980 1.00 11.54 C ATOM 1295 CD2 LEU A 82 8.442 12.095 -20.426 1.00 13.22 C ATOM 0 H LEU A 82 7.695 8.111 -18.220 1.00 34.43 H new ATOM 0 HA LEU A 82 7.197 9.900 -20.382 1.00 73.11 H new ATOM 0 HB2 LEU A 82 8.542 10.282 -18.247 1.00 23.43 H new ATOM 0 HB3 LEU A 82 9.811 9.307 -18.961 1.00 23.43 H new ATOM 0 HG LEU A 82 10.109 11.802 -19.129 1.00 21.24 H new ATOM 0 HD11 LEU A 82 10.926 11.729 -21.452 1.00 11.54 H new ATOM 0 HD12 LEU A 82 11.347 10.249 -20.557 1.00 11.54 H new ATOM 0 HD13 LEU A 82 10.004 10.232 -21.725 1.00 11.54 H new ATOM 0 HD21 LEU A 82 8.869 12.976 -20.906 1.00 13.22 H new ATOM 0 HD22 LEU A 82 7.866 11.527 -21.157 1.00 13.22 H new ATOM 0 HD23 LEU A 82 7.788 12.407 -19.612 1.00 13.22 H new ATOM 1307 N MET A 83 9.166 7.322 -20.910 1.00 41.34 N ATOM 1308 CA MET A 83 9.830 6.545 -21.951 1.00 14.12 C ATOM 1309 C MET A 83 8.813 5.972 -22.933 1.00 30.00 C ATOM 1310 O MET A 83 8.925 6.169 -24.143 1.00 71.41 O ATOM 1311 CB MET A 83 10.648 5.413 -21.328 1.00 24.04 C ATOM 1312 CG MET A 83 11.658 5.890 -20.296 1.00 32.32 C ATOM 1313 SD MET A 83 11.868 4.722 -18.938 1.00 75.01 S ATOM 1314 CE MET A 83 12.192 3.209 -19.840 1.00 70.10 C ATOM 0 H MET A 83 9.176 6.887 -19.987 1.00 41.34 H new ATOM 0 HA MET A 83 10.500 7.211 -22.496 1.00 14.12 H new ATOM 0 HB2 MET A 83 9.969 4.701 -20.858 1.00 24.04 H new ATOM 0 HB3 MET A 83 11.174 4.878 -22.119 1.00 24.04 H new ATOM 0 HG2 MET A 83 12.620 6.052 -20.783 1.00 32.32 H new ATOM 0 HG3 MET A 83 11.337 6.852 -19.896 1.00 32.32 H new ATOM 0 HE1 MET A 83 12.449 2.415 -19.139 1.00 70.10 H new ATOM 0 HE2 MET A 83 11.303 2.923 -20.402 1.00 70.10 H new ATOM 0 HE3 MET A 83 13.022 3.367 -20.529 1.00 70.10 H new ATOM 1324 N VAL A 84 7.821 5.262 -22.404 1.00 62.15 N ATOM 1325 CA VAL A 84 6.784 4.661 -23.235 1.00 23.12 C ATOM 1326 C VAL A 84 6.110 5.707 -24.115 1.00 44.15 C ATOM 1327 O VAL A 84 5.710 5.419 -25.243 1.00 1.55 O ATOM 1328 CB VAL A 84 5.714 3.961 -22.377 1.00 15.33 C ATOM 1329 CG1 VAL A 84 4.993 4.970 -21.495 1.00 21.33 C ATOM 1330 CG2 VAL A 84 4.727 3.214 -23.261 1.00 62.13 C ATOM 0 H VAL A 84 7.714 5.089 -21.405 1.00 62.15 H new ATOM 0 HA VAL A 84 7.274 3.921 -23.867 1.00 23.12 H new ATOM 0 HB VAL A 84 6.209 3.236 -21.731 1.00 15.33 H new ATOM 0 HG11 VAL A 84 4.241 4.457 -20.896 1.00 21.33 H new ATOM 0 HG12 VAL A 84 5.712 5.456 -20.836 1.00 21.33 H new ATOM 0 HG13 VAL A 84 4.509 5.720 -22.121 1.00 21.33 H new ATOM 0 HG21 VAL A 84 3.978 2.725 -22.638 1.00 62.13 H new ATOM 0 HG22 VAL A 84 4.236 3.917 -23.934 1.00 62.13 H new ATOM 0 HG23 VAL A 84 5.258 2.463 -23.846 1.00 62.13 H new ATOM 1340 N ASN A 85 5.989 6.923 -23.593 1.00 10.11 N ATOM 1341 CA ASN A 85 5.363 8.014 -24.332 1.00 21.41 C ATOM 1342 C ASN A 85 6.154 8.339 -25.595 1.00 45.20 C ATOM 1343 O ASN A 85 5.617 8.309 -26.701 1.00 41.32 O ATOM 1344 CB ASN A 85 5.254 9.259 -23.450 1.00 21.24 C ATOM 1345 CG ASN A 85 3.948 9.310 -22.681 1.00 0.12 C ATOM 1346 OD1 ASN A 85 2.905 8.886 -23.179 1.00 12.35 O ATOM 1347 ND2 ASN A 85 4.000 9.831 -21.460 1.00 41.25 N ATOM 0 H ASN A 85 6.316 7.178 -22.661 1.00 10.11 H new ATOM 0 HA ASN A 85 4.362 7.695 -24.623 1.00 21.41 H new ATOM 0 HB2 ASN A 85 6.087 9.277 -22.747 1.00 21.24 H new ATOM 0 HB3 ASN A 85 5.342 10.150 -24.072 1.00 21.24 H new ATOM 0 HD21 ASN A 85 3.153 9.892 -20.895 1.00 41.25 H new ATOM 0 HD22 ASN A 85 4.887 10.170 -21.088 1.00 41.25 H new ATOM 1354 N ASN A 86 7.435 8.650 -25.421 1.00 20.32 N ATOM 1355 CA ASN A 86 8.301 8.981 -26.547 1.00 1.05 C ATOM 1356 C ASN A 86 8.567 7.751 -27.409 1.00 23.34 C ATOM 1357 O ASN A 86 8.973 7.867 -28.565 1.00 65.15 O ATOM 1358 CB ASN A 86 9.625 9.562 -26.045 1.00 15.21 C ATOM 1359 CG ASN A 86 10.173 10.633 -26.968 1.00 72.13 C ATOM 1360 OD1 ASN A 86 11.327 10.572 -27.391 1.00 63.33 O ATOM 1361 ND2 ASN A 86 9.345 11.621 -27.285 1.00 54.42 N ATOM 0 H ASN A 86 7.896 8.680 -24.512 1.00 20.32 H new ATOM 0 HA ASN A 86 7.792 9.727 -27.157 1.00 1.05 H new ATOM 0 HB2 ASN A 86 9.480 9.983 -25.050 1.00 15.21 H new ATOM 0 HB3 ASN A 86 10.357 8.760 -25.948 1.00 15.21 H new ATOM 0 HD21 ASN A 86 9.658 12.370 -27.903 1.00 54.42 H new ATOM 0 HD22 ASN A 86 8.396 11.631 -26.911 1.00 54.42 H new ATOM 1368 N CYS A 87 8.335 6.574 -26.838 1.00 24.03 N ATOM 1369 CA CYS A 87 8.550 5.321 -27.554 1.00 2.35 C ATOM 1370 C CYS A 87 7.616 5.214 -28.754 1.00 51.23 C ATOM 1371 O CYS A 87 8.059 5.243 -29.903 1.00 24.43 O ATOM 1372 CB CYS A 87 8.335 4.131 -26.617 1.00 44.41 C ATOM 1373 SG CYS A 87 8.949 2.560 -27.268 1.00 33.12 S ATOM 0 H CYS A 87 7.998 6.461 -25.882 1.00 24.03 H new ATOM 0 HA CYS A 87 9.578 5.309 -27.915 1.00 2.35 H new ATOM 0 HB2 CYS A 87 8.828 4.336 -25.667 1.00 44.41 H new ATOM 0 HB3 CYS A 87 7.270 4.034 -26.408 1.00 44.41 H new ATOM 0 HG CYS A 87 8.724 1.615 -26.404 1.00 33.12 H new ATOM 1379 N ILE A 88 6.322 5.089 -28.481 1.00 14.41 N ATOM 1380 CA ILE A 88 5.325 4.977 -29.539 1.00 3.31 C ATOM 1381 C ILE A 88 5.227 6.270 -30.341 1.00 44.42 C ATOM 1382 O ILE A 88 4.915 6.253 -31.533 1.00 33.25 O ATOM 1383 CB ILE A 88 3.936 4.633 -28.970 1.00 1.11 C ATOM 1384 CG1 ILE A 88 3.425 5.775 -28.089 1.00 32.44 C ATOM 1385 CG2 ILE A 88 3.994 3.333 -28.182 1.00 11.25 C ATOM 1386 CD1 ILE A 88 2.445 6.688 -28.791 1.00 50.12 C ATOM 0 H ILE A 88 5.939 5.063 -27.536 1.00 14.41 H new ATOM 0 HA ILE A 88 5.650 4.169 -30.194 1.00 3.31 H new ATOM 0 HB ILE A 88 3.242 4.501 -29.800 1.00 1.11 H new ATOM 0 HG12 ILE A 88 2.947 5.354 -27.204 1.00 32.44 H new ATOM 0 HG13 ILE A 88 4.274 6.364 -27.743 1.00 32.44 H new ATOM 0 HG21 ILE A 88 3.005 3.103 -27.786 1.00 11.25 H new ATOM 0 HG22 ILE A 88 4.320 2.525 -28.837 1.00 11.25 H new ATOM 0 HG23 ILE A 88 4.699 3.438 -27.358 1.00 11.25 H new ATOM 0 HD11 ILE A 88 2.125 7.474 -28.107 1.00 50.12 H new ATOM 0 HD12 ILE A 88 2.925 7.137 -29.660 1.00 50.12 H new ATOM 0 HD13 ILE A 88 1.577 6.112 -29.113 1.00 50.12 H new ATOM 1398 N LEU A 89 5.498 7.391 -29.682 1.00 4.24 N ATOM 1399 CA LEU A 89 5.443 8.695 -30.334 1.00 1.15 C ATOM 1400 C LEU A 89 6.588 8.856 -31.328 1.00 64.41 C ATOM 1401 O LEU A 89 6.370 8.912 -32.538 1.00 61.15 O ATOM 1402 CB LEU A 89 5.499 9.812 -29.290 1.00 33.13 C ATOM 1403 CG LEU A 89 5.059 11.197 -29.765 1.00 12.13 C ATOM 1404 CD1 LEU A 89 6.090 11.789 -30.713 1.00 60.52 C ATOM 1405 CD2 LEU A 89 3.695 11.123 -30.436 1.00 20.42 C ATOM 0 H LEU A 89 5.758 7.423 -28.696 1.00 4.24 H new ATOM 0 HA LEU A 89 4.501 8.761 -30.879 1.00 1.15 H new ATOM 0 HB2 LEU A 89 4.874 9.524 -28.445 1.00 33.13 H new ATOM 0 HB3 LEU A 89 6.521 9.885 -28.919 1.00 33.13 H new ATOM 0 HG LEU A 89 4.979 11.849 -28.895 1.00 12.13 H new ATOM 0 HD11 LEU A 89 5.759 12.775 -31.040 1.00 60.52 H new ATOM 0 HD12 LEU A 89 7.047 11.879 -30.199 1.00 60.52 H new ATOM 0 HD13 LEU A 89 6.203 11.138 -31.580 1.00 60.52 H new ATOM 0 HD21 LEU A 89 3.398 12.118 -30.768 1.00 20.42 H new ATOM 0 HD22 LEU A 89 3.748 10.455 -31.296 1.00 20.42 H new ATOM 0 HD23 LEU A 89 2.960 10.743 -29.726 1.00 20.42 H new ATOM 1417 N PHE A 90 7.810 8.927 -30.810 1.00 31.25 N ATOM 1418 CA PHE A 90 8.990 9.079 -31.652 1.00 3.40 C ATOM 1419 C PHE A 90 9.127 7.904 -32.615 1.00 30.40 C ATOM 1420 O PHE A 90 9.089 8.077 -33.832 1.00 41.13 O ATOM 1421 CB PHE A 90 10.248 9.194 -30.788 1.00 40.52 C ATOM 1422 CG PHE A 90 11.308 10.074 -31.387 1.00 41.10 C ATOM 1423 CD1 PHE A 90 11.797 9.825 -32.659 1.00 74.54 C ATOM 1424 CD2 PHE A 90 11.816 11.151 -30.678 1.00 35.21 C ATOM 1425 CE1 PHE A 90 12.773 10.632 -33.212 1.00 74.03 C ATOM 1426 CE2 PHE A 90 12.791 11.962 -31.226 1.00 4.12 C ATOM 1427 CZ PHE A 90 13.270 11.703 -32.495 1.00 74.22 C ATOM 0 H PHE A 90 8.008 8.882 -29.811 1.00 31.25 H new ATOM 0 HA PHE A 90 8.873 9.992 -32.236 1.00 3.40 H new ATOM 0 HB2 PHE A 90 9.972 9.586 -29.809 1.00 40.52 H new ATOM 0 HB3 PHE A 90 10.661 8.198 -30.628 1.00 40.52 H new ATOM 0 HD1 PHE A 90 11.411 8.990 -33.225 1.00 74.54 H new ATOM 0 HD2 PHE A 90 11.445 11.359 -29.685 1.00 35.21 H new ATOM 0 HE1 PHE A 90 13.147 10.426 -34.204 1.00 74.03 H new ATOM 0 HE2 PHE A 90 13.178 12.798 -30.662 1.00 4.12 H new ATOM 0 HZ PHE A 90 14.031 12.336 -32.926 1.00 74.22 H new ATOM 1437 N ASN A 91 9.287 6.707 -32.059 1.00 73.13 N ATOM 1438 CA ASN A 91 9.430 5.502 -32.868 1.00 63.30 C ATOM 1439 C ASN A 91 9.635 4.275 -31.984 1.00 63.05 C ATOM 1440 O ASN A 91 10.700 4.092 -31.396 1.00 60.41 O ATOM 1441 CB ASN A 91 10.606 5.649 -33.836 1.00 0.20 C ATOM 1442 CG ASN A 91 10.193 5.449 -35.282 1.00 4.35 C ATOM 1443 OD1 ASN A 91 10.426 6.311 -36.130 1.00 21.42 O ATOM 1444 ND2 ASN A 91 9.577 4.309 -35.568 1.00 72.33 N ATOM 0 H ASN A 91 9.321 6.546 -31.052 1.00 73.13 H new ATOM 0 HA ASN A 91 8.512 5.367 -33.440 1.00 63.30 H new ATOM 0 HB2 ASN A 91 11.047 6.639 -33.720 1.00 0.20 H new ATOM 0 HB3 ASN A 91 11.378 4.924 -33.578 1.00 0.20 H new ATOM 0 HD21 ASN A 91 9.275 4.118 -36.523 1.00 72.33 H new ATOM 0 HD22 ASN A 91 9.405 3.624 -34.832 1.00 72.33 H new ATOM 1451 N GLY A 92 8.607 3.437 -31.897 1.00 71.40 N ATOM 1452 CA GLY A 92 8.694 2.238 -31.084 1.00 62.31 C ATOM 1453 C GLY A 92 7.660 1.199 -31.470 1.00 32.01 C ATOM 1454 O GLY A 92 7.991 0.175 -32.067 1.00 2.05 O ATOM 0 H GLY A 92 7.715 3.567 -32.375 1.00 71.40 H new ATOM 0 HA2 GLY A 92 9.691 1.808 -31.182 1.00 62.31 H new ATOM 0 HA3 GLY A 92 8.563 2.504 -30.035 1.00 62.31 H new ATOM 1458 N ALA A 93 6.403 1.462 -31.127 1.00 50.00 N ATOM 1459 CA ALA A 93 5.317 0.542 -31.442 1.00 11.24 C ATOM 1460 C ALA A 93 4.590 0.966 -32.713 1.00 73.22 C ATOM 1461 O ALA A 93 4.717 0.323 -33.755 1.00 33.14 O ATOM 1462 CB ALA A 93 4.342 0.459 -30.277 1.00 32.25 C ATOM 0 H ALA A 93 6.112 2.304 -30.631 1.00 50.00 H new ATOM 0 HA ALA A 93 5.747 -0.445 -31.613 1.00 11.24 H new ATOM 0 HB1 ALA A 93 3.536 -0.231 -30.526 1.00 32.25 H new ATOM 0 HB2 ALA A 93 4.865 0.102 -29.390 1.00 32.25 H new ATOM 0 HB3 ALA A 93 3.926 1.447 -30.080 1.00 32.25 H new ATOM 1468 N GLU A 94 3.827 2.051 -32.620 1.00 63.10 N ATOM 1469 CA GLU A 94 3.079 2.558 -33.764 1.00 13.31 C ATOM 1470 C GLU A 94 2.105 1.506 -34.287 1.00 12.22 C ATOM 1471 O GLU A 94 1.644 1.582 -35.425 1.00 43.10 O ATOM 1472 CB GLU A 94 4.035 2.983 -34.880 1.00 24.10 C ATOM 1473 CG GLU A 94 3.643 4.286 -35.555 1.00 53.13 C ATOM 1474 CD GLU A 94 4.829 5.009 -36.163 1.00 2.02 C ATOM 1475 OE1 GLU A 94 5.869 5.121 -35.481 1.00 10.43 O ATOM 1476 OE2 GLU A 94 4.717 5.462 -37.321 1.00 43.22 O ATOM 0 H GLU A 94 3.711 2.595 -31.765 1.00 63.10 H new ATOM 0 HA GLU A 94 2.508 3.426 -33.435 1.00 13.31 H new ATOM 0 HB2 GLU A 94 5.039 3.085 -34.467 1.00 24.10 H new ATOM 0 HB3 GLU A 94 4.078 2.194 -35.630 1.00 24.10 H new ATOM 0 HG2 GLU A 94 2.909 4.080 -36.334 1.00 53.13 H new ATOM 0 HG3 GLU A 94 3.160 4.937 -34.826 1.00 53.13 H new ATOM 1483 N GLY A 95 1.796 0.524 -33.446 1.00 22.34 N ATOM 1484 CA GLY A 95 0.880 -0.530 -33.840 1.00 71.22 C ATOM 1485 C GLY A 95 0.827 -1.660 -32.831 1.00 70.33 C ATOM 1486 O GLY A 95 -0.191 -2.339 -32.703 1.00 32.41 O ATOM 0 H GLY A 95 2.164 0.440 -32.498 1.00 22.34 H new ATOM 0 HA2 GLY A 95 -0.119 -0.111 -33.965 1.00 71.22 H new ATOM 0 HA3 GLY A 95 1.183 -0.926 -34.809 1.00 71.22 H new ATOM 1490 N ALA A 96 1.927 -1.863 -32.114 1.00 64.43 N ATOM 1491 CA ALA A 96 2.002 -2.919 -31.112 1.00 0.33 C ATOM 1492 C ALA A 96 2.240 -2.339 -29.721 1.00 64.45 C ATOM 1493 O ALA A 96 3.222 -2.675 -29.058 1.00 71.23 O ATOM 1494 CB ALA A 96 3.101 -3.909 -31.468 1.00 52.15 C ATOM 0 H ALA A 96 2.779 -1.310 -32.208 1.00 64.43 H new ATOM 0 HA ALA A 96 1.047 -3.443 -31.101 1.00 0.33 H new ATOM 0 HB1 ALA A 96 3.145 -4.692 -30.711 1.00 52.15 H new ATOM 0 HB2 ALA A 96 2.888 -4.355 -32.439 1.00 52.15 H new ATOM 0 HB3 ALA A 96 4.059 -3.390 -31.509 1.00 52.15 H new ATOM 1500 N TYR A 97 1.338 -1.468 -29.286 1.00 54.54 N ATOM 1501 CA TYR A 97 1.452 -0.839 -27.976 1.00 13.12 C ATOM 1502 C TYR A 97 1.646 -1.887 -26.884 1.00 42.30 C ATOM 1503 O TYR A 97 2.270 -1.621 -25.857 1.00 64.14 O ATOM 1504 CB TYR A 97 0.207 -0.001 -27.678 1.00 72.44 C ATOM 1505 CG TYR A 97 -1.082 -0.789 -27.741 1.00 72.40 C ATOM 1506 CD1 TYR A 97 -1.551 -1.481 -26.631 1.00 21.22 C ATOM 1507 CD2 TYR A 97 -1.831 -0.843 -28.910 1.00 42.02 C ATOM 1508 CE1 TYR A 97 -2.728 -2.203 -26.683 1.00 64.04 C ATOM 1509 CE2 TYR A 97 -3.009 -1.561 -28.971 1.00 53.05 C ATOM 1510 CZ TYR A 97 -3.453 -2.239 -27.856 1.00 34.43 C ATOM 1511 OH TYR A 97 -4.626 -2.957 -27.913 1.00 52.01 O ATOM 0 H TYR A 97 0.519 -1.181 -29.822 1.00 54.54 H new ATOM 0 HA TYR A 97 2.326 -0.187 -27.989 1.00 13.12 H new ATOM 0 HB2 TYR A 97 0.305 0.440 -26.686 1.00 72.44 H new ATOM 0 HB3 TYR A 97 0.155 0.823 -28.390 1.00 72.44 H new ATOM 0 HD1 TYR A 97 -0.986 -1.454 -25.711 1.00 21.22 H new ATOM 0 HD2 TYR A 97 -1.486 -0.314 -29.786 1.00 42.02 H new ATOM 0 HE1 TYR A 97 -3.078 -2.736 -25.811 1.00 64.04 H new ATOM 0 HE2 TYR A 97 -3.579 -1.591 -29.888 1.00 53.05 H new ATOM 0 HH TYR A 97 -5.014 -2.879 -28.809 1.00 52.01 H new ATOM 1521 N ALA A 98 1.107 -3.079 -27.115 1.00 30.31 N ATOM 1522 CA ALA A 98 1.223 -4.169 -26.154 1.00 14.13 C ATOM 1523 C ALA A 98 2.682 -4.440 -25.804 1.00 70.23 C ATOM 1524 O ALA A 98 2.988 -4.942 -24.723 1.00 22.23 O ATOM 1525 CB ALA A 98 0.566 -5.428 -26.701 1.00 42.43 C ATOM 0 H ALA A 98 0.586 -3.315 -27.959 1.00 30.31 H new ATOM 0 HA ALA A 98 0.707 -3.871 -25.241 1.00 14.13 H new ATOM 0 HB1 ALA A 98 0.660 -6.233 -25.973 1.00 42.43 H new ATOM 0 HB2 ALA A 98 -0.489 -5.234 -26.893 1.00 42.43 H new ATOM 0 HB3 ALA A 98 1.056 -5.720 -27.630 1.00 42.43 H new ATOM 1531 N ASP A 99 3.578 -4.106 -26.726 1.00 60.13 N ATOM 1532 CA ASP A 99 5.006 -4.313 -26.515 1.00 60.53 C ATOM 1533 C ASP A 99 5.518 -3.445 -25.370 1.00 71.22 C ATOM 1534 O ASP A 99 6.389 -3.859 -24.606 1.00 34.24 O ATOM 1535 CB ASP A 99 5.783 -4.001 -27.795 1.00 60.42 C ATOM 1536 CG ASP A 99 5.489 -4.990 -28.907 1.00 11.34 C ATOM 1537 OD1 ASP A 99 4.434 -5.655 -28.845 1.00 1.15 O ATOM 1538 OD2 ASP A 99 6.314 -5.098 -29.838 1.00 71.51 O ATOM 0 H ASP A 99 3.341 -3.691 -27.627 1.00 60.13 H new ATOM 0 HA ASP A 99 5.161 -5.359 -26.251 1.00 60.53 H new ATOM 0 HB2 ASP A 99 5.533 -2.995 -28.132 1.00 60.42 H new ATOM 0 HB3 ASP A 99 6.851 -4.009 -27.579 1.00 60.42 H new ATOM 1543 N ALA A 100 4.972 -2.239 -25.259 1.00 53.34 N ATOM 1544 CA ALA A 100 5.372 -1.312 -24.208 1.00 22.54 C ATOM 1545 C ALA A 100 4.687 -1.650 -22.888 1.00 75.41 C ATOM 1546 O ALA A 100 5.181 -1.306 -21.815 1.00 14.10 O ATOM 1547 CB ALA A 100 5.058 0.119 -24.617 1.00 34.23 C ATOM 0 H ALA A 100 4.251 -1.881 -25.885 1.00 53.34 H new ATOM 0 HA ALA A 100 6.448 -1.408 -24.064 1.00 22.54 H new ATOM 0 HB1 ALA A 100 5.362 0.800 -23.822 1.00 34.23 H new ATOM 0 HB2 ALA A 100 5.599 0.363 -25.531 1.00 34.23 H new ATOM 0 HB3 ALA A 100 3.987 0.221 -24.792 1.00 34.23 H new ATOM 1553 N ALA A 101 3.545 -2.326 -22.976 1.00 4.14 N ATOM 1554 CA ALA A 101 2.793 -2.711 -21.788 1.00 72.33 C ATOM 1555 C ALA A 101 3.488 -3.844 -21.041 1.00 63.11 C ATOM 1556 O ALA A 101 3.374 -3.958 -19.821 1.00 12.44 O ATOM 1557 CB ALA A 101 1.377 -3.119 -22.170 1.00 4.12 C ATOM 0 H ALA A 101 3.121 -2.618 -23.857 1.00 4.14 H new ATOM 0 HA ALA A 101 2.745 -1.849 -21.123 1.00 72.33 H new ATOM 0 HB1 ALA A 101 0.826 -3.404 -21.274 1.00 4.12 H new ATOM 0 HB2 ALA A 101 0.875 -2.281 -22.653 1.00 4.12 H new ATOM 0 HB3 ALA A 101 1.415 -3.964 -22.857 1.00 4.12 H new ATOM 1563 N ARG A 102 4.209 -4.680 -21.781 1.00 73.44 N ATOM 1564 CA ARG A 102 4.921 -5.806 -21.188 1.00 41.34 C ATOM 1565 C ARG A 102 5.944 -5.323 -20.164 1.00 50.13 C ATOM 1566 O ARG A 102 5.962 -5.785 -19.023 1.00 4.12 O ATOM 1567 CB ARG A 102 5.620 -6.625 -22.276 1.00 15.44 C ATOM 1568 CG ARG A 102 5.678 -8.113 -21.974 1.00 24.14 C ATOM 1569 CD ARG A 102 6.865 -8.455 -21.086 1.00 13.13 C ATOM 1570 NE ARG A 102 7.871 -9.240 -21.795 1.00 42.03 N ATOM 1571 CZ ARG A 102 9.079 -9.499 -21.307 1.00 61.45 C ATOM 1572 NH1 ARG A 102 9.429 -9.039 -20.114 1.00 52.14 N ATOM 1573 NH2 ARG A 102 9.940 -10.222 -22.013 1.00 40.53 N ATOM 0 H ARG A 102 4.316 -4.599 -22.792 1.00 73.44 H new ATOM 0 HA ARG A 102 4.193 -6.437 -20.679 1.00 41.34 H new ATOM 0 HB2 ARG A 102 5.100 -6.475 -23.222 1.00 15.44 H new ATOM 0 HB3 ARG A 102 6.635 -6.249 -22.406 1.00 15.44 H new ATOM 0 HG2 ARG A 102 4.755 -8.422 -21.484 1.00 24.14 H new ATOM 0 HG3 ARG A 102 5.747 -8.672 -22.907 1.00 24.14 H new ATOM 0 HD2 ARG A 102 7.318 -7.535 -20.716 1.00 13.13 H new ATOM 0 HD3 ARG A 102 6.518 -9.012 -20.216 1.00 13.13 H new ATOM 0 HE ARG A 102 7.633 -9.610 -22.715 1.00 42.03 H new ATOM 0 HH11 ARG A 102 8.770 -8.484 -19.568 1.00 52.14 H new ATOM 0 HH12 ARG A 102 10.357 -9.240 -19.742 1.00 52.14 H new ATOM 0 HH21 ARG A 102 9.674 -10.579 -22.931 1.00 40.53 H new ATOM 0 HH22 ARG A 102 10.867 -10.420 -21.638 1.00 40.53 H new ATOM 1587 N THR A 103 6.795 -4.390 -20.580 1.00 63.10 N ATOM 1588 CA THR A 103 7.822 -3.846 -19.701 1.00 0.25 C ATOM 1589 C THR A 103 7.204 -3.010 -18.586 1.00 2.15 C ATOM 1590 O THR A 103 7.744 -2.933 -17.481 1.00 73.45 O ATOM 1591 CB THR A 103 8.827 -2.978 -20.481 1.00 4.25 C ATOM 1592 OG1 THR A 103 9.930 -2.627 -19.637 1.00 21.52 O ATOM 1593 CG2 THR A 103 8.160 -1.714 -21.003 1.00 25.23 C ATOM 0 H THR A 103 6.793 -3.996 -21.521 1.00 63.10 H new ATOM 0 HA THR A 103 8.348 -4.696 -19.266 1.00 0.25 H new ATOM 0 HB THR A 103 9.189 -3.556 -21.331 1.00 4.25 H new ATOM 0 HG1 THR A 103 10.565 -2.076 -20.141 1.00 21.52 H new ATOM 0 HG21 THR A 103 8.890 -1.117 -21.550 1.00 25.23 H new ATOM 0 HG22 THR A 103 7.339 -1.984 -21.668 1.00 25.23 H new ATOM 0 HG23 THR A 103 7.773 -1.134 -20.165 1.00 25.23 H new ATOM 1601 N PHE A 104 6.069 -2.385 -18.881 1.00 3.44 N ATOM 1602 CA PHE A 104 5.378 -1.553 -17.902 1.00 73.42 C ATOM 1603 C PHE A 104 4.905 -2.389 -16.716 1.00 5.33 C ATOM 1604 O PHE A 104 5.223 -2.087 -15.566 1.00 2.21 O ATOM 1605 CB PHE A 104 4.185 -0.850 -18.552 1.00 15.41 C ATOM 1606 CG PHE A 104 3.420 0.031 -17.605 1.00 73.23 C ATOM 1607 CD1 PHE A 104 2.435 -0.500 -16.787 1.00 43.41 C ATOM 1608 CD2 PHE A 104 3.685 1.389 -17.534 1.00 73.12 C ATOM 1609 CE1 PHE A 104 1.730 0.308 -15.915 1.00 32.43 C ATOM 1610 CE2 PHE A 104 2.983 2.201 -16.663 1.00 71.15 C ATOM 1611 CZ PHE A 104 2.003 1.660 -15.854 1.00 24.14 C ATOM 0 H PHE A 104 5.608 -2.439 -19.789 1.00 3.44 H new ATOM 0 HA PHE A 104 6.080 -0.803 -17.539 1.00 73.42 H new ATOM 0 HB2 PHE A 104 4.540 -0.249 -19.389 1.00 15.41 H new ATOM 0 HB3 PHE A 104 3.510 -1.601 -18.962 1.00 15.41 H new ATOM 0 HD1 PHE A 104 2.216 -1.557 -16.832 1.00 43.41 H new ATOM 0 HD2 PHE A 104 4.448 1.818 -18.166 1.00 73.12 H new ATOM 0 HE1 PHE A 104 0.966 -0.118 -15.282 1.00 32.43 H new ATOM 0 HE2 PHE A 104 3.201 3.258 -16.615 1.00 71.15 H new ATOM 0 HZ PHE A 104 1.451 2.293 -15.175 1.00 24.14 H new ATOM 1621 N GLU A 105 4.145 -3.440 -17.005 1.00 14.31 N ATOM 1622 CA GLU A 105 3.627 -4.318 -15.962 1.00 3.41 C ATOM 1623 C GLU A 105 4.761 -4.859 -15.095 1.00 75.43 C ATOM 1624 O GLU A 105 4.635 -4.951 -13.874 1.00 12.41 O ATOM 1625 CB GLU A 105 2.846 -5.478 -16.582 1.00 15.40 C ATOM 1626 CG GLU A 105 1.381 -5.159 -16.833 1.00 21.30 C ATOM 1627 CD GLU A 105 0.446 -6.098 -16.096 1.00 75.24 C ATOM 1628 OE1 GLU A 105 0.717 -6.402 -14.916 1.00 62.22 O ATOM 1629 OE2 GLU A 105 -0.559 -6.529 -16.701 1.00 50.40 O ATOM 0 H GLU A 105 3.874 -3.704 -17.952 1.00 14.31 H new ATOM 0 HA GLU A 105 2.956 -3.735 -15.331 1.00 3.41 H new ATOM 0 HB2 GLU A 105 3.315 -5.758 -17.525 1.00 15.40 H new ATOM 0 HB3 GLU A 105 2.913 -6.344 -15.923 1.00 15.40 H new ATOM 0 HG2 GLU A 105 1.178 -4.134 -16.524 1.00 21.30 H new ATOM 0 HG3 GLU A 105 1.179 -5.216 -17.903 1.00 21.30 H new ATOM 1636 N LYS A 106 5.868 -5.218 -15.736 1.00 73.42 N ATOM 1637 CA LYS A 106 7.025 -5.751 -15.026 1.00 53.25 C ATOM 1638 C LYS A 106 7.483 -4.789 -13.935 1.00 31.34 C ATOM 1639 O LYS A 106 7.721 -5.195 -12.797 1.00 2.54 O ATOM 1640 CB LYS A 106 8.172 -6.013 -16.004 1.00 64.13 C ATOM 1641 CG LYS A 106 8.693 -7.439 -15.962 1.00 61.34 C ATOM 1642 CD LYS A 106 7.648 -8.429 -16.450 1.00 43.02 C ATOM 1643 CE LYS A 106 7.786 -9.774 -15.753 1.00 13.43 C ATOM 1644 NZ LYS A 106 6.518 -10.554 -15.798 1.00 42.00 N ATOM 0 H LYS A 106 5.989 -5.150 -16.747 1.00 73.42 H new ATOM 0 HA LYS A 106 6.733 -6.691 -14.558 1.00 53.25 H new ATOM 0 HB2 LYS A 106 7.834 -5.788 -17.016 1.00 64.13 H new ATOM 0 HB3 LYS A 106 8.991 -5.329 -15.782 1.00 64.13 H new ATOM 0 HG2 LYS A 106 9.588 -7.519 -16.580 1.00 61.34 H new ATOM 0 HG3 LYS A 106 8.986 -7.691 -14.943 1.00 61.34 H new ATOM 0 HD2 LYS A 106 6.651 -8.026 -16.271 1.00 43.02 H new ATOM 0 HD3 LYS A 106 7.748 -8.564 -17.527 1.00 43.02 H new ATOM 0 HE2 LYS A 106 8.583 -10.348 -16.226 1.00 13.43 H new ATOM 0 HE3 LYS A 106 8.079 -9.617 -14.715 1.00 13.43 H new ATOM 0 HZ1 LYS A 106 6.653 -11.464 -15.313 1.00 42.00 H new ATOM 0 HZ2 LYS A 106 5.763 -10.017 -15.324 1.00 42.00 H new ATOM 0 HZ3 LYS A 106 6.251 -10.726 -16.788 1.00 42.00 H new ATOM 1658 N PHE A 107 7.603 -3.514 -14.288 1.00 0.12 N ATOM 1659 CA PHE A 107 8.032 -2.494 -13.337 1.00 61.54 C ATOM 1660 C PHE A 107 7.149 -2.505 -12.093 1.00 51.32 C ATOM 1661 O PHE A 107 7.644 -2.463 -10.967 1.00 71.13 O ATOM 1662 CB PHE A 107 7.997 -1.111 -13.990 1.00 71.13 C ATOM 1663 CG PHE A 107 9.333 -0.657 -14.505 1.00 11.13 C ATOM 1664 CD1 PHE A 107 9.901 -1.255 -15.618 1.00 41.31 C ATOM 1665 CD2 PHE A 107 10.020 0.368 -13.875 1.00 44.34 C ATOM 1666 CE1 PHE A 107 11.131 -0.839 -16.093 1.00 33.11 C ATOM 1667 CE2 PHE A 107 11.250 0.789 -14.346 1.00 22.40 C ATOM 1668 CZ PHE A 107 11.805 0.185 -15.457 1.00 25.41 C ATOM 0 H PHE A 107 7.409 -3.162 -15.225 1.00 0.12 H new ATOM 0 HA PHE A 107 9.055 -2.720 -13.036 1.00 61.54 H new ATOM 0 HB2 PHE A 107 7.284 -1.125 -14.815 1.00 71.13 H new ATOM 0 HB3 PHE A 107 7.630 -0.385 -13.265 1.00 71.13 H new ATOM 0 HD1 PHE A 107 9.377 -2.055 -16.120 1.00 41.31 H new ATOM 0 HD2 PHE A 107 9.590 0.844 -13.006 1.00 44.34 H new ATOM 0 HE1 PHE A 107 11.564 -1.314 -16.961 1.00 33.11 H new ATOM 0 HE2 PHE A 107 11.776 1.589 -13.846 1.00 22.40 H new ATOM 0 HZ PHE A 107 12.765 0.513 -15.828 1.00 25.41 H new ATOM 1678 N ALA A 108 5.838 -2.560 -12.306 1.00 2.33 N ATOM 1679 CA ALA A 108 4.885 -2.577 -11.203 1.00 5.13 C ATOM 1680 C ALA A 108 5.171 -3.732 -10.249 1.00 10.44 C ATOM 1681 O ALA A 108 5.220 -3.547 -9.033 1.00 4.31 O ATOM 1682 CB ALA A 108 3.463 -2.669 -11.735 1.00 61.02 C ATOM 0 H ALA A 108 5.412 -2.594 -13.232 1.00 2.33 H new ATOM 0 HA ALA A 108 4.993 -1.646 -10.647 1.00 5.13 H new ATOM 0 HB1 ALA A 108 2.762 -2.681 -10.900 1.00 61.02 H new ATOM 0 HB2 ALA A 108 3.256 -1.808 -12.371 1.00 61.02 H new ATOM 0 HB3 ALA A 108 3.350 -3.584 -12.316 1.00 61.02 H new ATOM 1688 N MET A 109 5.357 -4.923 -10.808 1.00 4.24 N ATOM 1689 CA MET A 109 5.638 -6.108 -10.005 1.00 45.42 C ATOM 1690 C MET A 109 6.910 -5.919 -9.184 1.00 41.10 C ATOM 1691 O MET A 109 6.941 -6.220 -7.992 1.00 12.04 O ATOM 1692 CB MET A 109 5.776 -7.338 -10.904 1.00 52.22 C ATOM 1693 CG MET A 109 5.498 -8.649 -10.187 1.00 14.22 C ATOM 1694 SD MET A 109 7.006 -9.496 -9.678 1.00 72.14 S ATOM 1695 CE MET A 109 7.263 -10.594 -11.070 1.00 35.53 C ATOM 0 H MET A 109 5.318 -5.094 -11.813 1.00 4.24 H new ATOM 0 HA MET A 109 4.803 -6.259 -9.320 1.00 45.42 H new ATOM 0 HB2 MET A 109 5.090 -7.241 -11.746 1.00 52.22 H new ATOM 0 HB3 MET A 109 6.785 -7.365 -11.316 1.00 52.22 H new ATOM 0 HG2 MET A 109 4.881 -8.455 -9.310 1.00 14.22 H new ATOM 0 HG3 MET A 109 4.923 -9.302 -10.843 1.00 14.22 H new ATOM 0 HE1 MET A 109 8.162 -11.188 -10.904 1.00 35.53 H new ATOM 0 HE2 MET A 109 6.404 -11.257 -11.174 1.00 35.53 H new ATOM 0 HE3 MET A 109 7.379 -10.006 -11.980 1.00 35.53 H new ATOM 1705 N GLY A 110 7.959 -5.419 -9.831 1.00 15.40 N ATOM 1706 CA GLY A 110 9.218 -5.199 -9.145 1.00 22.14 C ATOM 1707 C GLY A 110 9.055 -4.375 -7.883 1.00 40.30 C ATOM 1708 O GLY A 110 9.765 -4.583 -6.899 1.00 65.44 O ATOM 0 H GLY A 110 7.959 -5.163 -10.818 1.00 15.40 H new ATOM 0 HA2 GLY A 110 9.663 -6.161 -8.892 1.00 22.14 H new ATOM 0 HA3 GLY A 110 9.911 -4.694 -9.818 1.00 22.14 H new ATOM 1712 N LYS A 111 8.118 -3.434 -7.910 1.00 54.53 N ATOM 1713 CA LYS A 111 7.863 -2.573 -6.761 1.00 34.30 C ATOM 1714 C LYS A 111 7.199 -3.356 -5.632 1.00 65.11 C ATOM 1715 O LYS A 111 7.498 -3.141 -4.457 1.00 14.01 O ATOM 1716 CB LYS A 111 6.976 -1.394 -7.167 1.00 42.13 C ATOM 1717 CG LYS A 111 7.003 -0.243 -6.176 1.00 70.13 C ATOM 1718 CD LYS A 111 5.758 -0.229 -5.305 1.00 2.50 C ATOM 1719 CE LYS A 111 4.549 0.288 -6.069 1.00 72.44 C ATOM 1720 NZ LYS A 111 3.427 0.645 -5.157 1.00 44.32 N ATOM 0 H LYS A 111 7.522 -3.248 -8.716 1.00 54.53 H new ATOM 0 HA LYS A 111 8.820 -2.193 -6.404 1.00 34.30 H new ATOM 0 HB2 LYS A 111 7.295 -1.029 -8.143 1.00 42.13 H new ATOM 0 HB3 LYS A 111 5.949 -1.744 -7.277 1.00 42.13 H new ATOM 0 HG2 LYS A 111 7.888 -0.325 -5.546 1.00 70.13 H new ATOM 0 HG3 LYS A 111 7.082 0.701 -6.715 1.00 70.13 H new ATOM 0 HD2 LYS A 111 5.556 -1.236 -4.941 1.00 2.50 H new ATOM 0 HD3 LYS A 111 5.932 0.397 -4.430 1.00 2.50 H new ATOM 0 HE2 LYS A 111 4.835 1.163 -6.652 1.00 72.44 H new ATOM 0 HE3 LYS A 111 4.215 -0.471 -6.776 1.00 72.44 H new ATOM 0 HZ1 LYS A 111 2.691 1.148 -5.693 1.00 44.32 H new ATOM 0 HZ2 LYS A 111 3.025 -0.221 -4.745 1.00 44.32 H new ATOM 0 HZ3 LYS A 111 3.781 1.258 -4.395 1.00 44.32 H new ATOM 1734 N ILE A 112 6.301 -4.265 -5.997 1.00 0.45 N ATOM 1735 CA ILE A 112 5.599 -5.080 -5.014 1.00 34.50 C ATOM 1736 C ILE A 112 6.580 -5.814 -4.106 1.00 71.44 C ATOM 1737 O ILE A 112 6.466 -5.764 -2.882 1.00 14.44 O ATOM 1738 CB ILE A 112 4.676 -6.110 -5.693 1.00 63.11 C ATOM 1739 CG1 ILE A 112 3.746 -5.415 -6.689 1.00 72.01 C ATOM 1740 CG2 ILE A 112 3.871 -6.870 -4.649 1.00 44.14 C ATOM 1741 CD1 ILE A 112 2.919 -4.308 -6.073 1.00 21.33 C ATOM 0 H ILE A 112 6.043 -4.455 -6.965 1.00 0.45 H new ATOM 0 HA ILE A 112 4.993 -4.400 -4.415 1.00 34.50 H new ATOM 0 HB ILE A 112 5.293 -6.825 -6.238 1.00 63.11 H new ATOM 0 HG12 ILE A 112 4.342 -5.002 -7.503 1.00 72.01 H new ATOM 0 HG13 ILE A 112 3.077 -6.156 -7.127 1.00 72.01 H new ATOM 0 HG21 ILE A 112 3.224 -7.594 -5.145 1.00 44.14 H new ATOM 0 HG22 ILE A 112 4.550 -7.392 -3.975 1.00 44.14 H new ATOM 0 HG23 ILE A 112 3.261 -6.169 -4.079 1.00 44.14 H new ATOM 0 HD11 ILE A 112 2.284 -3.860 -6.837 1.00 21.33 H new ATOM 0 HD12 ILE A 112 2.296 -4.718 -5.278 1.00 21.33 H new ATOM 0 HD13 ILE A 112 3.580 -3.547 -5.659 1.00 21.33 H new ATOM 1753 N ASP A 113 7.545 -6.495 -4.715 1.00 53.22 N ATOM 1754 CA ASP A 113 8.549 -7.237 -3.962 1.00 70.33 C ATOM 1755 C ASP A 113 9.325 -6.311 -3.031 1.00 41.14 C ATOM 1756 O ASP A 113 9.458 -6.583 -1.839 1.00 0.24 O ATOM 1757 CB ASP A 113 9.512 -7.946 -4.916 1.00 50.33 C ATOM 1758 CG ASP A 113 8.905 -9.191 -5.532 1.00 24.31 C ATOM 1759 OD1 ASP A 113 7.751 -9.119 -6.002 1.00 11.54 O ATOM 1760 OD2 ASP A 113 9.585 -10.239 -5.543 1.00 70.31 O ATOM 0 H ASP A 113 7.653 -6.548 -5.728 1.00 53.22 H new ATOM 0 HA ASP A 113 8.035 -7.983 -3.356 1.00 70.33 H new ATOM 0 HB2 ASP A 113 9.806 -7.258 -5.709 1.00 50.33 H new ATOM 0 HB3 ASP A 113 10.420 -8.217 -4.377 1.00 50.33 H new ATOM 1765 N ALA A 114 9.836 -5.217 -3.585 1.00 44.55 N ATOM 1766 CA ALA A 114 10.598 -4.250 -2.805 1.00 5.31 C ATOM 1767 C ALA A 114 9.776 -3.717 -1.637 1.00 11.04 C ATOM 1768 O ALA A 114 10.286 -3.558 -0.527 1.00 51.33 O ATOM 1769 CB ALA A 114 11.063 -3.104 -3.692 1.00 31.02 C ATOM 0 H ALA A 114 9.736 -4.978 -4.572 1.00 44.55 H new ATOM 0 HA ALA A 114 11.473 -4.758 -2.398 1.00 5.31 H new ATOM 0 HB1 ALA A 114 11.631 -2.390 -3.096 1.00 31.02 H new ATOM 0 HB2 ALA A 114 11.695 -3.495 -4.489 1.00 31.02 H new ATOM 0 HB3 ALA A 114 10.197 -2.606 -4.127 1.00 31.02 H new ATOM 1775 N TYR A 115 8.502 -3.442 -1.893 1.00 32.50 N ATOM 1776 CA TYR A 115 7.609 -2.924 -0.863 1.00 24.31 C ATOM 1777 C TYR A 115 7.652 -3.800 0.386 1.00 70.03 C ATOM 1778 O TYR A 115 7.754 -3.299 1.506 1.00 52.53 O ATOM 1779 CB TYR A 115 6.177 -2.843 -1.393 1.00 41.54 C ATOM 1780 CG TYR A 115 5.153 -2.530 -0.326 1.00 32.31 C ATOM 1781 CD1 TYR A 115 4.977 -1.232 0.137 1.00 54.24 C ATOM 1782 CD2 TYR A 115 4.362 -3.533 0.221 1.00 62.20 C ATOM 1783 CE1 TYR A 115 4.043 -0.942 1.112 1.00 14.33 C ATOM 1784 CE2 TYR A 115 3.425 -3.252 1.196 1.00 73.12 C ATOM 1785 CZ TYR A 115 3.269 -1.955 1.638 1.00 32.14 C ATOM 1786 OH TYR A 115 2.337 -1.671 2.610 1.00 20.24 O ATOM 0 H TYR A 115 8.064 -3.569 -2.805 1.00 32.50 H new ATOM 0 HA TYR A 115 7.947 -1.923 -0.595 1.00 24.31 H new ATOM 0 HB2 TYR A 115 6.128 -2.077 -2.167 1.00 41.54 H new ATOM 0 HB3 TYR A 115 5.919 -3.791 -1.865 1.00 41.54 H new ATOM 0 HD1 TYR A 115 5.581 -0.436 -0.273 1.00 54.24 H new ATOM 0 HD2 TYR A 115 4.482 -4.550 -0.122 1.00 62.20 H new ATOM 0 HE1 TYR A 115 3.919 0.073 1.461 1.00 14.33 H new ATOM 0 HE2 TYR A 115 2.818 -4.044 1.610 1.00 73.12 H new ATOM 0 HH TYR A 115 2.430 -0.736 2.890 1.00 20.24 H new ATOM 1796 N ILE A 116 7.574 -5.111 0.184 1.00 50.13 N ATOM 1797 CA ILE A 116 7.605 -6.057 1.292 1.00 63.31 C ATOM 1798 C ILE A 116 8.935 -5.990 2.035 1.00 43.11 C ATOM 1799 O ILE A 116 8.983 -6.130 3.257 1.00 41.31 O ATOM 1800 CB ILE A 116 7.374 -7.500 0.806 1.00 31.55 C ATOM 1801 CG1 ILE A 116 6.078 -7.588 -0.002 1.00 61.05 C ATOM 1802 CG2 ILE A 116 7.332 -8.457 1.989 1.00 1.30 C ATOM 1803 CD1 ILE A 116 5.880 -8.924 -0.684 1.00 3.11 C ATOM 0 H ILE A 116 7.489 -5.542 -0.737 1.00 50.13 H new ATOM 0 HA ILE A 116 6.798 -5.776 1.969 1.00 63.31 H new ATOM 0 HB ILE A 116 8.204 -7.787 0.160 1.00 31.55 H new ATOM 0 HG12 ILE A 116 5.233 -7.399 0.660 1.00 61.05 H new ATOM 0 HG13 ILE A 116 6.075 -6.801 -0.756 1.00 61.05 H new ATOM 0 HG21 ILE A 116 7.168 -9.473 1.630 1.00 1.30 H new ATOM 0 HG22 ILE A 116 8.278 -8.411 2.528 1.00 1.30 H new ATOM 0 HG23 ILE A 116 6.519 -8.173 2.658 1.00 1.30 H new ATOM 0 HD11 ILE A 116 4.941 -8.914 -1.238 1.00 3.11 H new ATOM 0 HD12 ILE A 116 6.705 -9.107 -1.372 1.00 3.11 H new ATOM 0 HD13 ILE A 116 5.850 -9.714 0.066 1.00 3.11 H new ATOM 1815 N SER A 117 10.014 -5.773 1.289 1.00 55.15 N ATOM 1816 CA SER A 117 11.345 -5.689 1.876 1.00 5.50 C ATOM 1817 C SER A 117 11.415 -4.564 2.905 1.00 62.03 C ATOM 1818 O SER A 117 12.004 -4.723 3.973 1.00 4.25 O ATOM 1819 CB SER A 117 12.394 -5.463 0.785 1.00 52.31 C ATOM 1820 OG SER A 117 13.183 -6.623 0.588 1.00 5.23 O ATOM 0 H SER A 117 9.992 -5.652 0.276 1.00 55.15 H new ATOM 0 HA SER A 117 11.553 -6.633 2.380 1.00 5.50 H new ATOM 0 HB2 SER A 117 11.900 -5.193 -0.148 1.00 52.31 H new ATOM 0 HB3 SER A 117 13.035 -4.626 1.061 1.00 52.31 H new ATOM 0 HG SER A 117 13.826 -6.463 -0.134 1.00 5.23 H new ATOM 1826 N GLN A 118 10.809 -3.429 2.573 1.00 44.52 N ATOM 1827 CA GLN A 118 10.803 -2.277 3.467 1.00 2.11 C ATOM 1828 C GLN A 118 9.434 -2.098 4.115 1.00 61.02 C ATOM 1829 O GLN A 118 8.800 -1.052 3.974 1.00 44.12 O ATOM 1830 CB GLN A 118 11.189 -1.009 2.703 1.00 74.11 C ATOM 1831 CG GLN A 118 10.324 -0.750 1.480 1.00 43.34 C ATOM 1832 CD GLN A 118 11.141 -0.583 0.213 1.00 34.10 C ATOM 1833 OE1 GLN A 118 10.951 0.372 -0.540 1.00 41.33 O ATOM 1834 NE2 GLN A 118 12.056 -1.514 -0.029 1.00 32.45 N ATOM 0 H GLN A 118 10.316 -3.282 1.692 1.00 44.52 H new ATOM 0 HA GLN A 118 11.536 -2.456 4.253 1.00 2.11 H new ATOM 0 HB2 GLN A 118 11.119 -0.154 3.375 1.00 74.11 H new ATOM 0 HB3 GLN A 118 12.231 -1.085 2.392 1.00 74.11 H new ATOM 0 HG2 GLN A 118 9.626 -1.577 1.351 1.00 43.34 H new ATOM 0 HG3 GLN A 118 9.728 0.148 1.645 1.00 43.34 H new ATOM 0 HE21 GLN A 118 12.180 -2.289 0.623 1.00 32.45 H new ATOM 0 HE22 GLN A 118 12.635 -1.454 -0.867 1.00 32.45 H new ATOM 1843 N LYS A 119 8.982 -3.126 4.825 1.00 4.13 N ATOM 1844 CA LYS A 119 7.689 -3.083 5.496 1.00 34.23 C ATOM 1845 C LYS A 119 7.856 -3.186 7.009 1.00 65.21 C ATOM 1846 O LYS A 119 6.941 -2.868 7.768 1.00 3.32 O ATOM 1847 CB LYS A 119 6.793 -4.217 4.994 1.00 74.45 C ATOM 1848 CG LYS A 119 5.527 -3.734 4.307 1.00 42.05 C ATOM 1849 CD LYS A 119 4.305 -4.500 4.785 1.00 3.02 C ATOM 1850 CE LYS A 119 3.822 -3.991 6.134 1.00 14.04 C ATOM 1851 NZ LYS A 119 2.583 -4.689 6.579 1.00 43.51 N ATOM 0 H LYS A 119 9.493 -4.000 4.950 1.00 4.13 H new ATOM 0 HA LYS A 119 7.220 -2.127 5.264 1.00 34.23 H new ATOM 0 HB2 LYS A 119 7.360 -4.836 4.299 1.00 74.45 H new ATOM 0 HB3 LYS A 119 6.519 -4.852 5.836 1.00 74.45 H new ATOM 0 HG2 LYS A 119 5.390 -2.670 4.502 1.00 42.05 H new ATOM 0 HG3 LYS A 119 5.631 -3.850 3.228 1.00 42.05 H new ATOM 0 HD2 LYS A 119 3.505 -4.405 4.051 1.00 3.02 H new ATOM 0 HD3 LYS A 119 4.545 -5.561 4.860 1.00 3.02 H new ATOM 0 HE2 LYS A 119 4.606 -4.133 6.878 1.00 14.04 H new ATOM 0 HE3 LYS A 119 3.633 -2.919 6.071 1.00 14.04 H new ATOM 0 HZ1 LYS A 119 2.286 -4.314 7.502 1.00 43.51 H new ATOM 0 HZ2 LYS A 119 1.827 -4.533 5.882 1.00 43.51 H new ATOM 0 HZ3 LYS A 119 2.770 -5.709 6.664 1.00 43.51 H new ATOM 1865 N VAL A 120 9.032 -3.632 7.440 1.00 2.14 N ATOM 1866 CA VAL A 120 9.321 -3.774 8.862 1.00 33.15 C ATOM 1867 C VAL A 120 9.378 -2.415 9.550 1.00 3.31 C ATOM 1868 O VAL A 120 9.147 -2.306 10.753 1.00 12.35 O ATOM 1869 CB VAL A 120 10.653 -4.511 9.094 1.00 63.02 C ATOM 1870 CG1 VAL A 120 11.816 -3.695 8.551 1.00 4.54 C ATOM 1871 CG2 VAL A 120 10.846 -4.811 10.573 1.00 72.44 C ATOM 0 H VAL A 120 9.800 -3.901 6.825 1.00 2.14 H new ATOM 0 HA VAL A 120 8.510 -4.362 9.292 1.00 33.15 H new ATOM 0 HB VAL A 120 10.622 -5.458 8.556 1.00 63.02 H new ATOM 0 HG11 VAL A 120 12.749 -4.231 8.724 1.00 4.54 H new ATOM 0 HG12 VAL A 120 11.681 -3.537 7.481 1.00 4.54 H new ATOM 0 HG13 VAL A 120 11.852 -2.731 9.058 1.00 4.54 H new ATOM 0 HG21 VAL A 120 11.792 -5.332 10.718 1.00 72.44 H new ATOM 0 HG22 VAL A 120 10.856 -3.877 11.135 1.00 72.44 H new ATOM 0 HG23 VAL A 120 10.028 -5.439 10.927 1.00 72.44 H new ATOM 1881 N GLY A 121 9.688 -1.379 8.776 1.00 5.35 N ATOM 1882 CA GLY A 121 9.771 -0.039 9.328 1.00 34.04 C ATOM 1883 C GLY A 121 10.393 0.949 8.362 1.00 1.00 C ATOM 1884 O GLY A 121 11.162 1.821 8.764 1.00 24.22 O ATOM 0 H GLY A 121 9.883 -1.444 7.777 1.00 5.35 H new ATOM 0 HA2 GLY A 121 8.771 0.302 9.598 1.00 34.04 H new ATOM 0 HA3 GLY A 121 10.358 -0.063 10.246 1.00 34.04 H new ATOM 1888 N GLY A 122 10.061 0.812 7.082 1.00 51.02 N ATOM 1889 CA GLY A 122 10.603 1.706 6.075 1.00 61.50 C ATOM 1890 C GLY A 122 9.580 2.081 5.021 1.00 22.42 C ATOM 1891 O GLY A 122 9.920 2.683 4.002 1.00 70.12 O ATOM 0 H GLY A 122 9.426 0.098 6.724 1.00 51.02 H new ATOM 0 HA2 GLY A 122 10.971 2.611 6.558 1.00 61.50 H new ATOM 0 HA3 GLY A 122 11.458 1.231 5.594 1.00 61.50 H new ATOM 1895 N LEU A 123 8.324 1.723 5.265 1.00 42.04 N ATOM 1896 CA LEU A 123 7.248 2.024 4.328 1.00 55.45 C ATOM 1897 C LEU A 123 5.909 1.520 4.856 1.00 74.32 C ATOM 1898 O LEU A 123 4.915 2.245 4.848 1.00 74.04 O ATOM 1899 CB LEU A 123 7.541 1.396 2.964 1.00 34.42 C ATOM 1900 CG LEU A 123 7.298 2.289 1.747 1.00 72.40 C ATOM 1901 CD1 LEU A 123 8.396 3.333 1.624 1.00 51.50 C ATOM 1902 CD2 LEU A 123 7.212 1.451 0.480 1.00 72.15 C ATOM 0 H LEU A 123 8.026 1.224 6.103 1.00 42.04 H new ATOM 0 HA LEU A 123 7.189 3.107 4.217 1.00 55.45 H new ATOM 0 HB2 LEU A 123 8.582 1.074 2.951 1.00 34.42 H new ATOM 0 HB3 LEU A 123 6.929 0.500 2.860 1.00 34.42 H new ATOM 0 HG LEU A 123 6.348 2.805 1.883 1.00 72.40 H new ATOM 0 HD11 LEU A 123 8.206 3.959 0.752 1.00 51.50 H new ATOM 0 HD12 LEU A 123 8.410 3.953 2.520 1.00 51.50 H new ATOM 0 HD13 LEU A 123 9.360 2.836 1.511 1.00 51.50 H new ATOM 0 HD21 LEU A 123 7.039 2.103 -0.376 1.00 72.15 H new ATOM 0 HD22 LEU A 123 8.146 0.907 0.339 1.00 72.15 H new ATOM 0 HD23 LEU A 123 6.389 0.742 0.568 1.00 72.15 H new ATOM 1914 N GLU A 124 5.892 0.273 5.316 1.00 31.33 N ATOM 1915 CA GLU A 124 4.675 -0.328 5.850 1.00 52.41 C ATOM 1916 C GLU A 124 3.597 -0.420 4.774 1.00 54.41 C ATOM 1917 O GLU A 124 3.678 0.245 3.742 1.00 63.15 O ATOM 1918 CB GLU A 124 4.157 0.486 7.038 1.00 20.41 C ATOM 1919 CG GLU A 124 3.964 -0.337 8.301 1.00 62.01 C ATOM 1920 CD GLU A 124 2.603 -0.123 8.935 1.00 44.43 C ATOM 1921 OE1 GLU A 124 2.125 1.031 8.938 1.00 20.22 O ATOM 1922 OE2 GLU A 124 2.017 -1.109 9.427 1.00 31.21 O ATOM 0 H GLU A 124 6.707 -0.341 5.330 1.00 31.33 H new ATOM 0 HA GLU A 124 4.915 -1.336 6.187 1.00 52.41 H new ATOM 0 HB2 GLU A 124 4.856 1.296 7.245 1.00 20.41 H new ATOM 0 HB3 GLU A 124 3.207 0.947 6.766 1.00 20.41 H new ATOM 0 HG2 GLU A 124 4.088 -1.394 8.064 1.00 62.01 H new ATOM 0 HG3 GLU A 124 4.741 -0.078 9.021 1.00 62.01 H new TER 1929 GLU A 124