USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 834 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 97 ASN : amide:sc= 0.508 K(o=1,f=0.11) USER MOD Set 1.2: A 101 GLN : amide:sc= 0.494 K(o=1,f=0.11) USER MOD Set 2.1: A 84 ASN : amide:sc= 0.933 K(o=1.9,f=-2.6!) USER MOD Set 2.2: A 86 TYR OH : rot 15:sc= 0.96 USER MOD Set 3.1: A 32 ASN : amide:sc= 1.06 K(o=4,f=-3.9) USER MOD Set 3.2: A 33 GLN : amide:sc= 1.99 K(o=4,f=-2.5) USER MOD Set 3.3: A 59 LYS NZ :NH3+ 143:sc= 0.938 (180deg=-0.0738) USER MOD Set 4.1: A 24 HIS : no HE2:sc= 0.131 X(o=0.27,f=0) USER MOD Set 4.2: A 50 TYR OH : rot 166:sc= 0.139 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 148:sc=0.000111 (180deg=-0.366) USER MOD Single : A 6 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 167:sc= 1.23 (180deg=0.911) USER MOD Single : A 9 HIS : no HE2:sc= 0.573 K(o=0.57,f=-11!) USER MOD Single : A 14 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.16) USER MOD Single : A 15 ASN : amide:sc= -0.0127 K(o=-0.013,f=-1.3) USER MOD Single : A 16 LYS NZ :NH3+ -151:sc=-0.000877 (180deg=-0.125) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.319 F(o=-0.95,f=-0.32) USER MOD Single : A 27 TYR OH : rot 170:sc= 0 USER MOD Single : A 28 CYS SG : rot -65:sc= 0.12 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl 179:sc= -0.307 (180deg=-0.328) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0834) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -34:sc= 1.59 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0262 USER MOD Single : A 57 SER OG : rot -26:sc= 1.31 USER MOD Single : A 63 CYS SG : rot 160:sc= -1.77 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -161:sc= -0.0733 (180deg=-0.37) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 165:sc= 0.244 (180deg=0.189) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.0157 K(o=-0.016,f=-0.88) USER MOD Single : A 77 LYS NZ :NH3+ 178:sc= 0.804 (180deg=0.745) USER MOD Single : A 81 SER OG : rot -141:sc= 1.39 USER MOD Single : A 89 GLN : amide:sc= 0.808 K(o=0.81,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 167:sc= 0 (180deg=-0.141) USER MOD Single : A 98 THR OG1 : rot 91:sc= 1.22 USER MOD Single : A 104 SER OG : rot 90:sc= 1.25 USER MOD Single : A 105 SER OG : rot 75:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.464 -13.839 -15.711 1.00 1.74 N ATOM 2 CA MET A 1 -9.186 -12.484 -16.257 1.00 1.02 C ATOM 3 C MET A 1 -9.138 -11.463 -15.119 1.00 0.87 C ATOM 4 O MET A 1 -10.071 -11.377 -14.311 1.00 1.29 O ATOM 5 CB MET A 1 -10.250 -12.065 -17.290 1.00 1.60 C ATOM 6 CG MET A 1 -9.773 -12.308 -18.722 1.00 2.33 C ATOM 7 SD MET A 1 -9.719 -14.057 -19.149 1.00 3.31 S ATOM 8 CE MET A 1 -8.651 -14.031 -20.599 1.00 4.33 C ATOM 0 H1 MET A 1 -10.010 -14.388 -16.405 1.00 1.74 H new ATOM 0 H2 MET A 1 -8.566 -14.325 -15.515 1.00 1.74 H new ATOM 0 H3 MET A 1 -10.011 -13.753 -14.830 1.00 1.74 H new ATOM 0 HA MET A 1 -8.220 -12.516 -16.760 1.00 1.02 H new ATOM 0 HB2 MET A 1 -11.169 -12.623 -17.113 1.00 1.60 H new ATOM 0 HB3 MET A 1 -10.488 -11.009 -17.160 1.00 1.60 H new ATOM 0 HG2 MET A 1 -10.436 -11.789 -19.414 1.00 2.33 H new ATOM 0 HG3 MET A 1 -8.780 -11.877 -18.848 1.00 2.33 H new ATOM 0 HE1 MET A 1 -8.525 -15.046 -20.976 1.00 4.33 H new ATOM 0 HE2 MET A 1 -9.103 -13.410 -21.373 1.00 4.33 H new ATOM 0 HE3 MET A 1 -7.678 -13.621 -20.327 1.00 4.33 H new ATOM 20 N GLU A 2 -8.054 -10.686 -15.079 1.00 0.51 N ATOM 21 CA GLU A 2 -7.853 -9.640 -14.070 1.00 0.37 C ATOM 22 C GLU A 2 -7.629 -8.304 -14.774 1.00 0.34 C ATOM 23 O GLU A 2 -6.950 -8.246 -15.804 1.00 0.48 O ATOM 24 CB GLU A 2 -6.638 -9.952 -13.185 1.00 0.53 C ATOM 25 CG GLU A 2 -6.612 -11.413 -12.713 1.00 0.96 C ATOM 26 CD GLU A 2 -5.763 -12.280 -13.639 1.00 1.61 C ATOM 27 OE1 GLU A 2 -4.774 -11.765 -14.196 1.00 2.09 O ATOM 28 OE2 GLU A 2 -6.082 -13.478 -13.817 1.00 2.16 O ATOM 0 H GLU A 2 -7.287 -10.763 -15.747 1.00 0.51 H new ATOM 0 HA GLU A 2 -8.739 -9.595 -13.437 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -5.724 -9.737 -13.739 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -6.647 -9.293 -12.317 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -6.215 -11.463 -11.699 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -7.629 -11.804 -12.676 1.00 0.96 H new ATOM 35 N GLY A 3 -8.185 -7.232 -14.226 1.00 0.25 N ATOM 36 CA GLY A 3 -8.029 -5.901 -14.814 1.00 0.28 C ATOM 37 C GLY A 3 -9.012 -4.915 -14.197 1.00 0.22 C ATOM 38 O GLY A 3 -9.880 -5.293 -13.405 1.00 0.22 O ATOM 0 H GLY A 3 -8.748 -7.254 -13.376 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -7.009 -5.548 -14.660 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.189 -5.954 -15.891 1.00 0.28 H new ATOM 42 N PHE A 4 -8.873 -3.644 -14.564 1.00 0.24 N ATOM 43 CA PHE A 4 -9.744 -2.589 -14.056 1.00 0.21 C ATOM 44 C PHE A 4 -10.993 -2.456 -14.921 1.00 0.22 C ATOM 45 O PHE A 4 -10.963 -2.691 -16.133 1.00 0.27 O ATOM 46 CB PHE A 4 -8.998 -1.251 -14.011 1.00 0.23 C ATOM 47 CG PHE A 4 -8.299 -1.019 -12.692 1.00 0.26 C ATOM 48 CD1 PHE A 4 -9.045 -0.763 -11.552 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.917 -1.068 -12.614 1.00 0.34 C ATOM 50 CE1 PHE A 4 -8.410 -0.557 -10.341 1.00 0.37 C ATOM 51 CE2 PHE A 4 -6.282 -0.860 -11.400 1.00 0.41 C ATOM 52 CZ PHE A 4 -7.029 -0.604 -10.263 1.00 0.41 C ATOM 0 H PHE A 4 -8.160 -3.318 -15.216 1.00 0.24 H new ATOM 0 HA PHE A 4 -10.046 -2.860 -13.044 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.265 -1.221 -14.817 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.703 -0.440 -14.192 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -10.123 -0.724 -11.610 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.334 -1.269 -13.500 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -8.993 -0.359 -9.454 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -5.204 -0.898 -11.341 1.00 0.41 H new ATOM 0 HZ PHE A 4 -6.535 -0.441 -9.317 1.00 0.41 H new ATOM 62 N LEU A 5 -12.078 -2.065 -14.280 1.00 0.19 N ATOM 63 CA LEU A 5 -13.366 -1.868 -14.936 1.00 0.21 C ATOM 64 C LEU A 5 -14.129 -0.759 -14.213 1.00 0.20 C ATOM 65 O LEU A 5 -14.055 -0.643 -12.985 1.00 0.21 O ATOM 66 CB LEU A 5 -14.201 -3.166 -14.894 1.00 0.23 C ATOM 67 CG LEU A 5 -13.961 -4.078 -16.106 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.858 -5.315 -16.016 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.213 -3.328 -17.415 1.00 0.31 C ATOM 0 H LEU A 5 -12.095 -1.872 -13.279 1.00 0.19 H new ATOM 0 HA LEU A 5 -13.194 -1.594 -15.977 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.964 -3.714 -13.982 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -15.259 -2.909 -14.845 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.918 -4.395 -16.097 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.681 -5.956 -16.880 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.629 -5.865 -15.103 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.903 -5.006 -16.001 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.036 -3.997 -18.257 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.245 -2.977 -17.441 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.538 -2.475 -17.481 1.00 0.31 H new ATOM 81 N ASN A 6 -14.893 0.027 -14.968 1.00 0.22 N ATOM 82 CA ASN A 6 -15.714 1.101 -14.392 1.00 0.23 C ATOM 83 C ASN A 6 -17.042 0.474 -14.003 1.00 0.22 C ATOM 84 O ASN A 6 -17.754 -0.016 -14.868 1.00 0.26 O ATOM 85 CB ASN A 6 -15.928 2.250 -15.392 1.00 0.28 C ATOM 86 CG ASN A 6 -14.589 2.814 -15.886 1.00 0.72 C ATOM 87 OD1 ASN A 6 -14.049 3.751 -15.300 1.00 1.49 O ATOM 88 ND2 ASN A 6 -14.049 2.244 -16.956 1.00 1.24 N ATOM 0 H ASN A 6 -14.964 -0.056 -15.982 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.214 1.537 -13.527 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -16.510 1.892 -16.241 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.507 3.043 -14.920 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -13.157 2.581 -17.318 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -14.526 1.469 -17.416 1.00 1.24 H new ATOM 95 N ARG A 7 -17.342 0.431 -12.708 1.00 0.23 N ATOM 96 CA ARG A 7 -18.573 -0.200 -12.222 1.00 0.24 C ATOM 97 C ARG A 7 -19.591 0.835 -11.748 1.00 0.25 C ATOM 98 O ARG A 7 -19.269 1.739 -10.971 1.00 0.32 O ATOM 99 CB ARG A 7 -18.241 -1.168 -11.078 1.00 0.28 C ATOM 100 CG ARG A 7 -19.415 -2.110 -10.778 1.00 0.34 C ATOM 101 CD ARG A 7 -18.997 -3.270 -9.861 1.00 0.54 C ATOM 102 NE ARG A 7 -19.597 -3.129 -8.528 1.00 0.95 N ATOM 103 CZ ARG A 7 -19.590 -4.127 -7.645 1.00 1.16 C ATOM 104 NH1 ARG A 7 -18.491 -4.416 -6.965 1.00 1.46 N ATOM 105 NH2 ARG A 7 -20.688 -4.830 -7.442 1.00 1.71 N ATOM 0 H ARG A 7 -16.753 0.824 -11.974 1.00 0.23 H new ATOM 0 HA ARG A 7 -19.019 -0.747 -13.052 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.361 -1.755 -11.341 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.990 -0.601 -10.182 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.221 -1.547 -10.307 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.808 -2.509 -11.713 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -19.304 -4.217 -10.304 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -17.911 -3.296 -9.774 1.00 0.54 H new ATOM 0 HE ARG A 7 -20.031 -2.243 -8.271 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -17.641 -3.873 -7.115 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -18.495 -5.182 -6.291 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -21.538 -4.609 -7.960 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -20.686 -5.595 -6.767 1.00 1.71 H new ATOM 119 N LYS A 8 -20.830 0.664 -12.202 1.00 0.27 N ATOM 120 CA LYS A 8 -21.950 1.527 -11.836 1.00 0.29 C ATOM 121 C LYS A 8 -23.104 0.643 -11.383 1.00 0.29 C ATOM 122 O LYS A 8 -23.365 -0.396 -11.990 1.00 0.38 O ATOM 123 CB LYS A 8 -22.376 2.379 -13.031 1.00 0.36 C ATOM 124 CG LYS A 8 -23.320 3.513 -12.622 1.00 0.37 C ATOM 125 CD LYS A 8 -24.235 3.923 -13.784 1.00 0.50 C ATOM 126 CE LYS A 8 -25.686 3.473 -13.556 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.570 4.611 -13.168 1.00 1.02 N ATOM 0 H LYS A 8 -21.088 -0.087 -12.842 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.654 2.200 -11.031 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.492 2.799 -13.510 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.868 1.746 -13.770 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.926 3.196 -11.773 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -22.737 4.374 -12.294 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.205 5.006 -13.905 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -23.861 3.488 -14.711 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.069 3.010 -14.465 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.711 2.712 -12.776 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.565 4.317 -13.238 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -26.361 4.895 -12.190 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -26.401 5.415 -13.806 1.00 1.02 H new ATOM 141 N HIS A 9 -23.781 1.045 -10.315 1.00 0.43 N ATOM 142 CA HIS A 9 -24.900 0.269 -9.774 1.00 0.52 C ATOM 143 C HIS A 9 -26.228 0.910 -10.153 1.00 0.58 C ATOM 144 O HIS A 9 -26.503 2.049 -9.784 1.00 0.73 O ATOM 145 CB HIS A 9 -24.809 0.183 -8.240 1.00 0.68 C ATOM 146 CG HIS A 9 -23.640 -0.605 -7.731 1.00 0.88 C ATOM 147 ND1 HIS A 9 -23.626 -1.224 -6.506 1.00 1.21 N ATOM 148 CD2 HIS A 9 -22.427 -0.871 -8.267 1.00 1.22 C ATOM 149 CE1 HIS A 9 -22.484 -1.829 -6.296 1.00 1.69 C ATOM 150 NE2 HIS A 9 -21.720 -1.634 -7.359 1.00 1.75 N ATOM 0 H HIS A 9 -23.578 1.904 -9.803 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.845 -0.734 -10.198 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -24.755 1.193 -7.834 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -25.727 -0.265 -7.859 1.00 0.68 H new ATOM 0 HD1 HIS A 9 -24.403 -1.214 -5.846 1.00 1.21 H new ATOM 0 HD2 HIS A 9 -22.074 -0.544 -9.234 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -22.213 -2.388 -5.412 1.00 1.69 H new ATOM 158 N GLU A 10 -27.053 0.158 -10.871 1.00 0.60 N ATOM 159 CA GLU A 10 -28.379 0.612 -11.281 1.00 0.73 C ATOM 160 C GLU A 10 -29.421 -0.004 -10.351 1.00 0.83 C ATOM 161 O GLU A 10 -30.394 0.648 -9.973 1.00 1.00 O ATOM 162 CB GLU A 10 -28.658 0.184 -12.733 1.00 0.79 C ATOM 163 CG GLU A 10 -28.331 1.288 -13.739 1.00 1.28 C ATOM 164 CD GLU A 10 -29.232 2.508 -13.548 1.00 1.19 C ATOM 165 OE1 GLU A 10 -30.303 2.367 -12.921 1.00 1.72 O ATOM 166 OE2 GLU A 10 -28.884 3.603 -14.033 1.00 1.52 O ATOM 0 H GLU A 10 -26.823 -0.784 -11.186 1.00 0.60 H new ATOM 0 HA GLU A 10 -28.427 1.699 -11.223 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -28.069 -0.703 -12.967 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -29.707 -0.095 -12.832 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -27.288 1.584 -13.629 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -28.448 0.904 -14.752 1.00 1.28 H new ATOM 173 N TRP A 11 -29.215 -1.275 -9.996 1.00 0.82 N ATOM 174 CA TRP A 11 -30.141 -1.991 -9.127 1.00 0.96 C ATOM 175 C TRP A 11 -29.469 -3.237 -8.534 1.00 0.94 C ATOM 176 O TRP A 11 -28.930 -4.072 -9.261 1.00 0.84 O ATOM 177 CB TRP A 11 -31.383 -2.384 -9.941 1.00 1.08 C ATOM 178 CG TRP A 11 -32.525 -2.882 -9.110 1.00 1.26 C ATOM 179 CD1 TRP A 11 -33.447 -2.122 -8.444 1.00 1.54 C ATOM 180 CD2 TRP A 11 -32.873 -4.256 -8.862 1.00 1.26 C ATOM 181 NE1 TRP A 11 -34.330 -2.959 -7.821 1.00 1.67 N ATOM 182 CE2 TRP A 11 -34.012 -4.259 -8.051 1.00 1.51 C ATOM 183 CE3 TRP A 11 -32.330 -5.480 -9.249 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -34.610 -5.430 -7.627 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -32.925 -6.659 -8.828 1.00 1.35 C ATOM 186 CH2 TRP A 11 -34.054 -6.634 -8.026 1.00 1.53 C ATOM 0 H TRP A 11 -28.413 -1.827 -10.300 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.437 -1.346 -8.300 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.716 -1.520 -10.516 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -31.105 -3.157 -10.658 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -33.473 -1.043 -8.415 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -35.122 -2.649 -7.258 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -31.450 -5.510 -9.874 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -35.489 -5.407 -7.000 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -32.504 -7.607 -9.128 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -34.505 -7.563 -7.709 1.00 1.53 H new ATOM 197 N GLU A 12 -29.532 -3.354 -7.210 1.00 1.16 N ATOM 198 CA GLU A 12 -28.969 -4.494 -6.473 1.00 1.26 C ATOM 199 C GLU A 12 -30.109 -5.265 -5.795 1.00 1.56 C ATOM 200 O GLU A 12 -30.107 -6.496 -5.754 1.00 2.03 O ATOM 201 CB GLU A 12 -27.955 -4.015 -5.419 1.00 1.34 C ATOM 202 CG GLU A 12 -27.019 -2.931 -5.972 1.00 1.63 C ATOM 203 CD GLU A 12 -26.088 -2.410 -4.882 1.00 1.81 C ATOM 204 OE1 GLU A 12 -25.650 -3.207 -4.029 1.00 2.05 O ATOM 205 OE2 GLU A 12 -25.783 -1.199 -4.883 1.00 2.09 O ATOM 0 H GLU A 12 -29.977 -2.659 -6.610 1.00 1.16 H new ATOM 0 HA GLU A 12 -28.447 -5.147 -7.172 1.00 1.26 H new ATOM 0 HB2 GLU A 12 -28.489 -3.625 -4.553 1.00 1.34 H new ATOM 0 HB3 GLU A 12 -27.364 -4.863 -5.073 1.00 1.34 H new ATOM 0 HG2 GLU A 12 -26.431 -3.337 -6.795 1.00 1.63 H new ATOM 0 HG3 GLU A 12 -27.608 -2.108 -6.377 1.00 1.63 H new ATOM 212 N ALA A 13 -31.081 -4.511 -5.284 1.00 1.77 N ATOM 213 CA ALA A 13 -32.264 -5.054 -4.610 1.00 2.14 C ATOM 214 C ALA A 13 -33.384 -4.012 -4.677 1.00 2.15 C ATOM 215 O ALA A 13 -33.131 -2.847 -4.997 1.00 2.54 O ATOM 216 CB ALA A 13 -31.936 -5.399 -3.152 1.00 2.70 C ATOM 0 H ALA A 13 -31.071 -3.492 -5.326 1.00 1.77 H new ATOM 0 HA ALA A 13 -32.585 -5.970 -5.106 1.00 2.14 H new ATOM 0 HB1 ALA A 13 -32.824 -5.801 -2.665 1.00 2.70 H new ATOM 0 HB2 ALA A 13 -31.139 -6.142 -3.124 1.00 2.70 H new ATOM 0 HB3 ALA A 13 -31.611 -4.499 -2.629 1.00 2.70 H new ATOM 222 N HIS A 14 -34.617 -4.425 -4.382 1.00 2.38 N ATOM 223 CA HIS A 14 -35.780 -3.514 -4.421 1.00 2.81 C ATOM 224 C HIS A 14 -35.803 -2.589 -3.192 1.00 2.77 C ATOM 225 O HIS A 14 -36.760 -2.576 -2.415 1.00 3.31 O ATOM 226 CB HIS A 14 -37.112 -4.298 -4.555 1.00 3.51 C ATOM 227 CG HIS A 14 -37.234 -5.515 -3.680 1.00 3.99 C ATOM 228 ND1 HIS A 14 -37.700 -6.724 -4.137 1.00 4.73 N ATOM 229 CD2 HIS A 14 -36.967 -5.721 -2.366 1.00 4.33 C ATOM 230 CE1 HIS A 14 -37.720 -7.616 -3.180 1.00 5.34 C ATOM 231 NE2 HIS A 14 -37.276 -7.037 -2.075 1.00 5.13 N ATOM 0 H HIS A 14 -34.844 -5.382 -4.113 1.00 2.38 H new ATOM 0 HA HIS A 14 -35.676 -2.889 -5.308 1.00 2.81 H new ATOM 0 HB2 HIS A 14 -37.936 -3.623 -4.326 1.00 3.51 H new ATOM 0 HB3 HIS A 14 -37.231 -4.605 -5.594 1.00 3.51 H new ATOM 0 HD2 HIS A 14 -36.582 -4.989 -1.672 1.00 4.33 H new ATOM 0 HE1 HIS A 14 -38.042 -8.643 -3.275 1.00 5.34 H new ATOM 0 HE2 HIS A 14 -37.179 -7.485 -1.164 1.00 5.13 H new ATOM 239 N ASN A 15 -34.736 -1.803 -3.046 1.00 2.64 N ATOM 240 CA ASN A 15 -34.588 -0.848 -1.942 1.00 2.83 C ATOM 241 C ASN A 15 -34.874 0.569 -2.455 1.00 2.48 C ATOM 242 O ASN A 15 -35.751 1.262 -1.942 1.00 2.96 O ATOM 243 CB ASN A 15 -33.160 -0.945 -1.372 1.00 3.64 C ATOM 244 CG ASN A 15 -33.056 -0.300 0.012 1.00 4.19 C ATOM 245 OD1 ASN A 15 -34.047 0.148 0.592 1.00 4.25 O ATOM 246 ND2 ASN A 15 -31.848 -0.260 0.549 1.00 4.99 N ATOM 0 H ASN A 15 -33.946 -1.809 -3.691 1.00 2.64 H new ATOM 0 HA ASN A 15 -35.297 -1.081 -1.147 1.00 2.83 H new ATOM 0 HB2 ASN A 15 -32.864 -1.992 -1.308 1.00 3.64 H new ATOM 0 HB3 ASN A 15 -32.463 -0.458 -2.054 1.00 3.64 H new ATOM 0 HD21 ASN A 15 -31.714 0.151 1.473 1.00 4.99 H new ATOM 0 HD22 ASN A 15 -31.051 -0.641 0.040 1.00 4.99 H new ATOM 253 N LYS A 16 -34.130 0.979 -3.485 1.00 2.30 N ATOM 254 CA LYS A 16 -34.282 2.296 -4.105 1.00 2.46 C ATOM 255 C LYS A 16 -33.405 2.373 -5.363 1.00 2.10 C ATOM 256 O LYS A 16 -33.869 2.117 -6.477 1.00 2.44 O ATOM 257 CB LYS A 16 -33.917 3.422 -3.110 1.00 3.26 C ATOM 258 CG LYS A 16 -32.577 3.175 -2.386 1.00 3.87 C ATOM 259 CD LYS A 16 -32.714 3.357 -0.874 1.00 4.83 C ATOM 260 CE LYS A 16 -33.190 4.770 -0.520 1.00 5.52 C ATOM 261 NZ LYS A 16 -34.546 4.753 0.099 1.00 6.03 N ATOM 0 H LYS A 16 -33.404 0.405 -3.913 1.00 2.30 H new ATOM 0 HA LYS A 16 -35.325 2.435 -4.389 1.00 2.46 H new ATOM 0 HB2 LYS A 16 -33.865 4.370 -3.646 1.00 3.26 H new ATOM 0 HB3 LYS A 16 -34.712 3.517 -2.370 1.00 3.26 H new ATOM 0 HG2 LYS A 16 -32.227 2.166 -2.602 1.00 3.87 H new ATOM 0 HG3 LYS A 16 -31.823 3.863 -2.769 1.00 3.87 H new ATOM 0 HD2 LYS A 16 -33.419 2.625 -0.481 1.00 4.83 H new ATOM 0 HD3 LYS A 16 -31.754 3.164 -0.395 1.00 4.83 H new ATOM 0 HE2 LYS A 16 -32.481 5.232 0.167 1.00 5.52 H new ATOM 0 HE3 LYS A 16 -33.208 5.385 -1.420 1.00 5.52 H new ATOM 0 HZ1 LYS A 16 -35.037 5.645 -0.115 1.00 6.03 H new ATOM 0 HZ2 LYS A 16 -35.093 3.956 -0.285 1.00 6.03 H new ATOM 0 HZ3 LYS A 16 -34.456 4.647 1.130 1.00 6.03 H new ATOM 275 N LYS A 17 -32.135 2.716 -5.166 1.00 1.88 N ATOM 276 CA LYS A 17 -31.144 2.831 -6.240 1.00 1.62 C ATOM 277 C LYS A 17 -29.780 3.173 -5.618 1.00 1.62 C ATOM 278 O LYS A 17 -29.663 3.311 -4.394 1.00 2.06 O ATOM 279 CB LYS A 17 -31.558 3.917 -7.260 1.00 1.84 C ATOM 280 CG LYS A 17 -31.717 3.325 -8.660 1.00 2.30 C ATOM 281 CD LYS A 17 -31.958 4.413 -9.712 1.00 2.75 C ATOM 282 CE LYS A 17 -33.448 4.568 -10.034 1.00 3.27 C ATOM 283 NZ LYS A 17 -33.951 3.465 -10.905 1.00 3.75 N ATOM 0 H LYS A 17 -31.756 2.926 -4.242 1.00 1.88 H new ATOM 0 HA LYS A 17 -31.081 1.883 -6.775 1.00 1.62 H new ATOM 0 HB2 LYS A 17 -32.496 4.376 -6.947 1.00 1.84 H new ATOM 0 HB3 LYS A 17 -30.808 4.707 -7.279 1.00 1.84 H new ATOM 0 HG2 LYS A 17 -30.822 2.760 -8.920 1.00 2.30 H new ATOM 0 HG3 LYS A 17 -32.550 2.623 -8.665 1.00 2.30 H new ATOM 0 HD2 LYS A 17 -31.563 5.363 -9.351 1.00 2.75 H new ATOM 0 HD3 LYS A 17 -31.412 4.166 -10.623 1.00 2.75 H new ATOM 0 HE2 LYS A 17 -34.019 4.586 -9.106 1.00 3.27 H new ATOM 0 HE3 LYS A 17 -33.614 5.525 -10.529 1.00 3.27 H new ATOM 0 HZ1 LYS A 17 -34.963 3.609 -11.098 1.00 3.75 H new ATOM 0 HZ2 LYS A 17 -33.424 3.463 -11.802 1.00 3.75 H new ATOM 0 HZ3 LYS A 17 -33.817 2.553 -10.423 1.00 3.75 H new ATOM 297 N ALA A 18 -28.762 3.321 -6.466 1.00 1.43 N ATOM 298 CA ALA A 18 -27.399 3.660 -6.021 1.00 1.61 C ATOM 299 C ALA A 18 -26.968 4.990 -6.643 1.00 1.86 C ATOM 300 O ALA A 18 -27.114 5.190 -7.849 1.00 2.10 O ATOM 301 CB ALA A 18 -26.427 2.549 -6.427 1.00 1.58 C ATOM 0 H ALA A 18 -28.852 3.211 -7.476 1.00 1.43 H new ATOM 0 HA ALA A 18 -27.389 3.757 -4.935 1.00 1.61 H new ATOM 0 HB1 ALA A 18 -25.421 2.806 -6.095 1.00 1.58 H new ATOM 0 HB2 ALA A 18 -26.733 1.611 -5.964 1.00 1.58 H new ATOM 0 HB3 ALA A 18 -26.434 2.438 -7.511 1.00 1.58 H new ATOM 307 N SER A 19 -26.456 5.903 -5.816 1.00 2.24 N ATOM 308 CA SER A 19 -26.016 7.231 -6.278 1.00 2.71 C ATOM 309 C SER A 19 -24.614 7.576 -5.750 1.00 2.85 C ATOM 310 O SER A 19 -23.799 8.143 -6.478 1.00 3.33 O ATOM 311 CB SER A 19 -27.019 8.309 -5.830 1.00 3.28 C ATOM 312 OG SER A 19 -28.351 7.800 -5.798 1.00 3.62 O ATOM 0 H SER A 19 -26.333 5.750 -4.815 1.00 2.24 H new ATOM 0 HA SER A 19 -25.972 7.204 -7.367 1.00 2.71 H new ATOM 0 HB2 SER A 19 -26.744 8.675 -4.841 1.00 3.28 H new ATOM 0 HB3 SER A 19 -26.969 9.159 -6.510 1.00 3.28 H new ATOM 0 HG SER A 19 -28.965 8.507 -5.508 1.00 3.62 H new ATOM 318 N SER A 20 -24.351 7.255 -4.477 1.00 2.92 N ATOM 319 CA SER A 20 -23.058 7.548 -3.837 1.00 3.46 C ATOM 320 C SER A 20 -21.909 6.748 -4.467 1.00 3.36 C ATOM 321 O SER A 20 -20.803 7.270 -4.627 1.00 3.74 O ATOM 322 CB SER A 20 -23.155 7.263 -2.335 1.00 4.13 C ATOM 323 OG SER A 20 -24.222 8.017 -1.764 1.00 4.31 O ATOM 0 H SER A 20 -25.020 6.789 -3.865 1.00 2.92 H new ATOM 0 HA SER A 20 -22.833 8.603 -3.995 1.00 3.46 H new ATOM 0 HB2 SER A 20 -23.321 6.199 -2.168 1.00 4.13 H new ATOM 0 HB3 SER A 20 -22.215 7.520 -1.846 1.00 4.13 H new ATOM 0 HG SER A 20 -24.279 7.828 -0.804 1.00 4.31 H new ATOM 329 N ARG A 21 -22.176 5.491 -4.834 1.00 3.28 N ATOM 330 CA ARG A 21 -21.169 4.627 -5.461 1.00 3.37 C ATOM 331 C ARG A 21 -21.609 4.292 -6.888 1.00 2.30 C ATOM 332 O ARG A 21 -22.186 3.233 -7.145 1.00 2.78 O ATOM 333 CB ARG A 21 -20.962 3.352 -4.623 1.00 4.44 C ATOM 334 CG ARG A 21 -19.810 2.481 -5.152 1.00 5.18 C ATOM 335 CD ARG A 21 -18.435 3.119 -4.909 1.00 5.89 C ATOM 336 NE ARG A 21 -18.068 3.057 -3.490 1.00 6.25 N ATOM 337 CZ ARG A 21 -16.836 3.362 -3.076 1.00 6.92 C ATOM 338 NH1 ARG A 21 -16.410 4.610 -3.167 1.00 7.43 N ATOM 339 NH2 ARG A 21 -16.053 2.422 -2.566 1.00 7.30 N ATOM 0 H ARG A 21 -23.085 5.047 -4.707 1.00 3.28 H new ATOM 0 HA ARG A 21 -20.213 5.149 -5.506 1.00 3.37 H new ATOM 0 HB2 ARG A 21 -20.758 3.630 -3.589 1.00 4.44 H new ATOM 0 HB3 ARG A 21 -21.883 2.769 -4.621 1.00 4.44 H new ATOM 0 HG2 ARG A 21 -19.845 1.505 -4.669 1.00 5.18 H new ATOM 0 HG3 ARG A 21 -19.946 2.313 -6.220 1.00 5.18 H new ATOM 0 HD2 ARG A 21 -17.681 2.605 -5.506 1.00 5.89 H new ATOM 0 HD3 ARG A 21 -18.449 4.158 -5.239 1.00 5.89 H new ATOM 0 HE ARG A 21 -18.769 2.775 -2.805 1.00 6.25 H new ATOM 0 HH11 ARG A 21 -17.021 5.331 -3.551 1.00 7.43 H new ATOM 0 HH12 ARG A 21 -15.470 4.852 -2.853 1.00 7.43 H new ATOM 0 HH21 ARG A 21 -16.391 1.463 -2.489 1.00 7.30 H new ATOM 0 HH22 ARG A 21 -15.112 2.658 -2.250 1.00 7.30 H new ATOM 353 N SER A 22 -21.340 5.218 -7.810 1.00 1.32 N ATOM 354 CA SER A 22 -21.694 5.065 -9.221 1.00 0.74 C ATOM 355 C SER A 22 -20.518 5.498 -10.100 1.00 0.68 C ATOM 356 O SER A 22 -20.001 6.610 -9.968 1.00 1.69 O ATOM 357 CB SER A 22 -22.942 5.899 -9.532 1.00 1.62 C ATOM 358 OG SER A 22 -24.086 5.328 -8.903 1.00 1.86 O ATOM 0 H SER A 22 -20.869 6.098 -7.598 1.00 1.32 H new ATOM 0 HA SER A 22 -21.914 4.018 -9.432 1.00 0.74 H new ATOM 0 HB2 SER A 22 -22.800 6.922 -9.185 1.00 1.62 H new ATOM 0 HB3 SER A 22 -23.097 5.947 -10.610 1.00 1.62 H new ATOM 0 HG SER A 22 -24.876 5.870 -9.107 1.00 1.86 H new ATOM 364 N TRP A 23 -20.095 4.592 -10.983 1.00 0.69 N ATOM 365 CA TRP A 23 -18.968 4.808 -11.902 1.00 0.41 C ATOM 366 C TRP A 23 -17.661 4.960 -11.127 1.00 0.40 C ATOM 367 O TRP A 23 -17.059 6.034 -11.083 1.00 0.55 O ATOM 368 CB TRP A 23 -19.213 6.003 -12.853 1.00 0.43 C ATOM 369 CG TRP A 23 -20.169 5.668 -13.966 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.275 6.375 -14.345 1.00 0.45 C ATOM 371 CD2 TRP A 23 -20.100 4.522 -14.839 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.882 5.718 -15.380 1.00 0.42 N ATOM 373 CE2 TRP A 23 -21.197 4.586 -15.705 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.217 3.449 -14.962 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.427 3.613 -16.668 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.434 2.483 -15.914 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.532 2.556 -16.763 1.00 0.31 C ATOM 0 H TRP A 23 -20.529 3.674 -11.084 1.00 0.69 H new ATOM 0 HA TRP A 23 -18.884 3.924 -12.533 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.607 6.843 -12.281 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -18.263 6.325 -13.279 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.614 7.299 -13.901 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.733 6.033 -15.846 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.361 3.378 -14.307 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.281 3.677 -17.327 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.744 1.657 -16.004 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.690 1.785 -17.502 1.00 0.31 H new ATOM 388 N HIS A 24 -17.241 3.854 -10.519 1.00 0.37 N ATOM 389 CA HIS A 24 -16.014 3.782 -9.733 1.00 0.45 C ATOM 390 C HIS A 24 -15.090 2.737 -10.359 1.00 0.36 C ATOM 391 O HIS A 24 -15.535 1.634 -10.693 1.00 0.34 O ATOM 392 CB HIS A 24 -16.366 3.386 -8.288 1.00 0.61 C ATOM 393 CG HIS A 24 -15.192 3.385 -7.352 1.00 1.18 C ATOM 394 ND1 HIS A 24 -14.671 4.517 -6.781 1.00 2.08 N ATOM 395 CD2 HIS A 24 -14.428 2.372 -6.877 1.00 1.66 C ATOM 396 CE1 HIS A 24 -13.653 4.228 -6.004 1.00 2.98 C ATOM 397 NE2 HIS A 24 -13.473 2.917 -6.038 1.00 2.74 N ATOM 0 H HIS A 24 -17.750 2.971 -10.559 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.510 4.748 -9.723 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -17.121 4.074 -7.907 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -16.814 2.392 -8.293 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -15.027 5.460 -6.939 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -14.544 1.324 -7.112 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -13.066 4.935 -5.437 1.00 2.98 H new ATOM 405 N ASN A 25 -13.811 3.080 -10.504 1.00 0.37 N ATOM 406 CA ASN A 25 -12.824 2.158 -11.074 1.00 0.35 C ATOM 407 C ASN A 25 -12.518 1.052 -10.051 1.00 0.34 C ATOM 408 O ASN A 25 -12.043 1.325 -8.948 1.00 0.55 O ATOM 409 CB ASN A 25 -11.540 2.914 -11.524 1.00 0.44 C ATOM 410 CG ASN A 25 -10.635 3.334 -10.353 1.00 0.99 C ATOM 411 OD1 ASN A 25 -11.077 4.300 -9.563 1.00 1.71 O flip ATOM 412 ND2 ASN A 25 -9.540 2.795 -10.184 1.00 1.49 N flip ATOM 0 H ASN A 25 -13.432 3.988 -10.236 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.235 1.695 -11.971 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -10.972 2.278 -12.202 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.829 3.802 -12.087 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -9.234 2.054 -10.814 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -8.940 3.090 -9.414 1.00 1.49 H new ATOM 419 N VAL A 26 -12.833 -0.190 -10.408 1.00 0.22 N ATOM 420 CA VAL A 26 -12.625 -1.332 -9.516 1.00 0.21 C ATOM 421 C VAL A 26 -11.882 -2.444 -10.250 1.00 0.18 C ATOM 422 O VAL A 26 -11.998 -2.590 -11.470 1.00 0.23 O ATOM 423 CB VAL A 26 -13.983 -1.817 -8.972 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.717 -2.714 -9.973 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.817 -2.533 -7.636 1.00 0.31 C ATOM 0 H VAL A 26 -13.235 -0.434 -11.313 1.00 0.22 H new ATOM 0 HA VAL A 26 -12.009 -1.029 -8.669 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.595 -0.929 -8.816 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.669 -3.032 -9.547 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -14.899 -2.159 -10.893 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.107 -3.590 -10.192 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.792 -2.864 -7.277 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.165 -3.397 -7.765 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.375 -1.851 -6.910 1.00 0.31 H new ATOM 435 N TYR A 27 -11.122 -3.222 -9.492 1.00 0.16 N ATOM 436 CA TYR A 27 -10.338 -4.329 -10.034 1.00 0.16 C ATOM 437 C TYR A 27 -11.134 -5.628 -9.909 1.00 0.19 C ATOM 438 O TYR A 27 -11.375 -6.117 -8.806 1.00 0.34 O ATOM 439 CB TYR A 27 -9.003 -4.416 -9.282 1.00 0.17 C ATOM 440 CG TYR A 27 -7.925 -5.146 -10.047 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.171 -4.483 -11.001 1.00 0.28 C ATOM 442 CD2 TYR A 27 -7.695 -6.486 -9.797 1.00 0.26 C ATOM 443 CE1 TYR A 27 -6.192 -5.164 -11.704 1.00 0.33 C ATOM 444 CE2 TYR A 27 -6.717 -7.164 -10.499 1.00 0.30 C ATOM 445 CZ TYR A 27 -5.939 -6.461 -11.443 1.00 0.29 C ATOM 446 OH TYR A 27 -4.999 -7.175 -12.148 1.00 0.37 O ATOM 0 H TYR A 27 -11.030 -3.105 -8.483 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.128 -4.162 -11.090 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.657 -3.408 -9.055 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.165 -4.919 -8.329 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -7.347 -3.435 -11.196 1.00 0.28 H new ATOM 0 HD2 TYR A 27 -8.281 -7.004 -9.052 1.00 0.26 H new ATOM 0 HE1 TYR A 27 -5.626 -4.651 -12.468 1.00 0.33 H new ATOM 0 HE2 TYR A 27 -6.550 -8.217 -10.328 1.00 0.30 H new ATOM 0 HH TYR A 27 -4.850 -8.039 -11.711 1.00 0.37 H new ATOM 456 N CYS A 28 -11.555 -6.169 -11.049 1.00 0.16 N ATOM 457 CA CYS A 28 -12.345 -7.402 -11.092 1.00 0.19 C ATOM 458 C CYS A 28 -11.449 -8.607 -11.387 1.00 0.19 C ATOM 459 O CYS A 28 -10.579 -8.543 -12.255 1.00 0.23 O ATOM 460 CB CYS A 28 -13.436 -7.276 -12.166 1.00 0.23 C ATOM 461 SG CYS A 28 -14.427 -5.782 -11.968 1.00 0.34 S ATOM 0 H CYS A 28 -11.361 -5.769 -11.967 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.812 -7.556 -10.119 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -12.972 -7.273 -13.152 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.087 -8.149 -12.123 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.096 -5.849 -10.855 1.00 0.34 H new ATOM 467 N VAL A 29 -11.673 -9.701 -10.655 1.00 0.21 N ATOM 468 CA VAL A 29 -10.906 -10.943 -10.818 1.00 0.24 C ATOM 469 C VAL A 29 -11.884 -12.116 -10.949 1.00 0.26 C ATOM 470 O VAL A 29 -12.678 -12.364 -10.039 1.00 0.38 O ATOM 471 CB VAL A 29 -9.979 -11.155 -9.606 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.339 -12.547 -9.641 1.00 0.37 C ATOM 473 CG2 VAL A 29 -8.898 -10.071 -9.552 1.00 0.33 C ATOM 0 H VAL A 29 -12.391 -9.753 -9.932 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.289 -10.880 -11.715 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.587 -11.082 -8.704 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.689 -12.671 -8.774 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -10.120 -13.307 -9.621 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.752 -12.655 -10.553 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.255 -10.241 -8.688 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.300 -10.108 -10.462 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.369 -9.092 -9.467 1.00 0.33 H new ATOM 483 N ILE A 30 -11.824 -12.829 -12.076 1.00 0.28 N ATOM 484 CA ILE A 30 -12.708 -13.978 -12.327 1.00 0.32 C ATOM 485 C ILE A 30 -12.064 -15.257 -11.787 1.00 0.35 C ATOM 486 O ILE A 30 -10.983 -15.653 -12.227 1.00 0.44 O ATOM 487 CB ILE A 30 -12.987 -14.113 -13.836 1.00 0.40 C ATOM 488 CG1 ILE A 30 -13.570 -12.805 -14.387 1.00 0.47 C ATOM 489 CG2 ILE A 30 -13.938 -15.282 -14.113 1.00 0.50 C ATOM 490 CD1 ILE A 30 -13.894 -12.905 -15.877 1.00 0.57 C ATOM 0 H ILE A 30 -11.171 -12.633 -12.834 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.656 -13.817 -11.813 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.043 -14.317 -14.342 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.475 -12.551 -13.836 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -12.860 -11.995 -14.224 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.120 -15.357 -15.185 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -13.489 -16.209 -13.755 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -14.883 -15.113 -13.596 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.304 -11.957 -16.225 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -12.984 -13.132 -16.433 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -14.625 -13.697 -16.038 1.00 0.57 H new ATOM 502 N ASN A 31 -12.737 -15.897 -10.831 1.00 0.46 N ATOM 503 CA ASN A 31 -12.249 -17.134 -10.210 1.00 0.58 C ATOM 504 C ASN A 31 -13.264 -18.260 -10.421 1.00 0.71 C ATOM 505 O ASN A 31 -14.309 -18.302 -9.766 1.00 1.20 O ATOM 506 CB ASN A 31 -12.005 -16.901 -8.706 1.00 0.73 C ATOM 507 CG ASN A 31 -11.107 -17.995 -8.121 1.00 0.93 C ATOM 508 OD1 ASN A 31 -11.572 -18.875 -7.396 1.00 1.27 O ATOM 509 ND2 ASN A 31 -9.821 -17.938 -8.431 1.00 1.47 N ATOM 0 H ASN A 31 -13.633 -15.576 -10.464 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.308 -17.424 -10.676 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.542 -15.926 -8.556 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -12.958 -16.886 -8.177 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -9.177 -18.639 -8.066 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -9.475 -17.193 -9.035 1.00 1.47 H new ATOM 516 N ASN A 32 -12.944 -19.168 -11.344 1.00 0.85 N ATOM 517 CA ASN A 32 -13.799 -20.321 -11.678 1.00 1.00 C ATOM 518 C ASN A 32 -15.108 -19.853 -12.342 1.00 1.00 C ATOM 519 O ASN A 32 -15.097 -19.419 -13.496 1.00 1.97 O ATOM 520 CB ASN A 32 -14.065 -21.176 -10.417 1.00 1.24 C ATOM 521 CG ASN A 32 -14.502 -22.590 -10.801 1.00 1.73 C ATOM 522 OD1 ASN A 32 -15.679 -22.938 -10.692 1.00 2.06 O ATOM 523 ND2 ASN A 32 -13.560 -23.402 -11.250 1.00 2.52 N ATOM 0 H ASN A 32 -12.081 -19.129 -11.887 1.00 0.85 H new ATOM 0 HA ASN A 32 -13.278 -20.951 -12.399 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -13.163 -21.223 -9.807 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -14.837 -20.705 -9.809 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -13.796 -24.356 -11.522 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -12.597 -23.074 -11.325 1.00 2.52 H new ATOM 530 N GLN A 33 -16.222 -19.934 -11.610 1.00 0.75 N ATOM 531 CA GLN A 33 -17.540 -19.515 -12.114 1.00 0.67 C ATOM 532 C GLN A 33 -18.071 -18.313 -11.314 1.00 0.56 C ATOM 533 O GLN A 33 -19.260 -17.947 -11.433 1.00 0.71 O ATOM 534 CB GLN A 33 -18.523 -20.691 -12.042 1.00 0.83 C ATOM 535 CG GLN A 33 -18.760 -21.148 -10.599 1.00 1.46 C ATOM 536 CD GLN A 33 -19.267 -22.586 -10.574 1.00 1.85 C ATOM 537 OE1 GLN A 33 -20.464 -22.832 -10.434 1.00 2.11 O ATOM 538 NE2 GLN A 33 -18.360 -23.535 -10.722 1.00 2.67 N ATOM 0 H GLN A 33 -16.240 -20.290 -10.654 1.00 0.75 H new ATOM 0 HA GLN A 33 -17.437 -19.206 -13.154 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -19.472 -20.399 -12.491 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -18.136 -21.524 -12.628 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -17.833 -21.072 -10.030 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -19.485 -20.492 -10.117 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -17.377 -23.288 -10.835 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -18.643 -24.515 -10.723 1.00 2.67 H new ATOM 547 N GLU A 34 -17.176 -17.699 -10.512 1.00 0.53 N ATOM 548 CA GLU A 34 -17.499 -16.532 -9.695 1.00 0.49 C ATOM 549 C GLU A 34 -16.416 -15.470 -9.893 1.00 0.45 C ATOM 550 O GLU A 34 -15.455 -15.680 -10.637 1.00 0.64 O ATOM 551 CB GLU A 34 -17.587 -16.937 -8.211 1.00 0.61 C ATOM 552 CG GLU A 34 -18.501 -18.152 -8.010 1.00 1.25 C ATOM 553 CD GLU A 34 -18.964 -18.238 -6.562 1.00 1.42 C ATOM 554 OE1 GLU A 34 -19.828 -17.431 -6.159 1.00 1.79 O ATOM 555 OE2 GLU A 34 -18.469 -19.111 -5.822 1.00 1.89 O ATOM 0 H GLU A 34 -16.208 -18.007 -10.419 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.464 -16.125 -9.999 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -16.589 -17.166 -7.836 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -17.963 -16.098 -7.626 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -19.365 -18.078 -8.670 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -17.969 -19.064 -8.283 1.00 1.25 H new ATOM 562 N MET A 35 -16.561 -14.336 -9.226 1.00 0.36 N ATOM 563 CA MET A 35 -15.587 -13.248 -9.323 1.00 0.35 C ATOM 564 C MET A 35 -15.417 -12.567 -7.967 1.00 0.32 C ATOM 565 O MET A 35 -16.273 -12.687 -7.081 1.00 0.42 O ATOM 566 CB MET A 35 -16.008 -12.226 -10.396 1.00 0.41 C ATOM 567 CG MET A 35 -17.302 -11.486 -10.042 1.00 0.43 C ATOM 568 SD MET A 35 -17.689 -10.191 -11.235 1.00 0.60 S ATOM 569 CE MET A 35 -19.403 -9.836 -10.816 1.00 1.25 C ATOM 0 H MET A 35 -17.347 -14.140 -8.607 1.00 0.36 H new ATOM 0 HA MET A 35 -14.628 -13.672 -9.622 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.207 -11.500 -10.533 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.139 -12.740 -11.348 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.126 -12.198 -10.000 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.208 -11.047 -9.049 1.00 0.43 H new ATOM 0 HE1 MET A 35 -19.777 -9.040 -11.459 1.00 1.25 H new ATOM 0 HE2 MET A 35 -20.006 -10.732 -10.960 1.00 1.25 H new ATOM 0 HE3 MET A 35 -19.465 -9.521 -9.774 1.00 1.25 H new ATOM 579 N GLY A 36 -14.308 -11.856 -7.818 1.00 0.27 N ATOM 580 CA GLY A 36 -13.987 -11.136 -6.590 1.00 0.29 C ATOM 581 C GLY A 36 -13.620 -9.694 -6.920 1.00 0.25 C ATOM 582 O GLY A 36 -12.798 -9.439 -7.811 1.00 0.28 O ATOM 0 H GLY A 36 -13.602 -11.761 -8.548 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.839 -11.158 -5.911 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.158 -11.624 -6.077 1.00 0.29 H new ATOM 586 N PHE A 37 -14.243 -8.754 -6.208 1.00 0.24 N ATOM 587 CA PHE A 37 -14.005 -7.322 -6.413 1.00 0.25 C ATOM 588 C PHE A 37 -12.871 -6.845 -5.510 1.00 0.25 C ATOM 589 O PHE A 37 -12.973 -6.902 -4.285 1.00 0.40 O ATOM 590 CB PHE A 37 -15.289 -6.531 -6.127 1.00 0.30 C ATOM 591 CG PHE A 37 -16.326 -6.694 -7.218 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.130 -6.093 -8.452 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.471 -7.444 -6.990 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.075 -6.241 -9.453 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.414 -7.591 -7.995 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.216 -6.988 -9.224 1.00 0.33 C ATOM 0 H PHE A 37 -14.923 -8.961 -5.477 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.716 -7.154 -7.450 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.711 -6.860 -5.177 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.044 -5.474 -6.018 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.240 -5.509 -8.633 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.627 -7.913 -6.030 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -16.921 -5.772 -10.414 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.304 -8.177 -7.818 1.00 0.45 H new ATOM 0 HZ PHE A 37 -18.953 -7.101 -10.005 1.00 0.33 H new ATOM 606 N TYR A 38 -11.792 -6.384 -6.131 1.00 0.20 N ATOM 607 CA TYR A 38 -10.612 -5.898 -5.418 1.00 0.21 C ATOM 608 C TYR A 38 -10.353 -4.423 -5.748 1.00 0.21 C ATOM 609 O TYR A 38 -11.067 -3.818 -6.556 1.00 0.23 O ATOM 610 CB TYR A 38 -9.401 -6.757 -5.806 1.00 0.23 C ATOM 611 CG TYR A 38 -9.504 -8.177 -5.305 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.223 -8.462 -3.982 1.00 0.42 C ATOM 613 CD2 TYR A 38 -9.882 -9.195 -6.163 1.00 0.27 C ATOM 614 CE1 TYR A 38 -9.312 -9.761 -3.516 1.00 0.50 C ATOM 615 CE2 TYR A 38 -9.974 -10.497 -5.697 1.00 0.35 C ATOM 616 CZ TYR A 38 -9.691 -10.774 -4.375 1.00 0.44 C ATOM 617 OH TYR A 38 -9.780 -12.069 -3.912 1.00 0.55 O ATOM 0 H TYR A 38 -11.708 -6.336 -7.146 1.00 0.20 H new ATOM 0 HA TYR A 38 -10.781 -5.976 -4.344 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.301 -6.766 -6.891 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.495 -6.301 -5.406 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -8.933 -7.668 -3.310 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.105 -8.975 -7.196 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -9.086 -9.983 -2.483 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.266 -11.292 -6.366 1.00 0.35 H new ATOM 0 HH TYR A 38 -10.060 -12.659 -4.643 1.00 0.55 H new ATOM 627 N LYS A 39 -9.321 -3.849 -5.129 1.00 0.25 N ATOM 628 CA LYS A 39 -8.952 -2.446 -5.353 1.00 0.29 C ATOM 629 C LYS A 39 -8.028 -2.322 -6.568 1.00 0.28 C ATOM 630 O LYS A 39 -8.229 -1.467 -7.425 1.00 0.33 O ATOM 631 CB LYS A 39 -8.265 -1.889 -4.099 1.00 0.36 C ATOM 632 CG LYS A 39 -8.318 -0.362 -4.067 1.00 0.70 C ATOM 633 CD LYS A 39 -7.682 0.192 -2.792 1.00 1.15 C ATOM 634 CE LYS A 39 -7.573 1.714 -2.846 1.00 1.82 C ATOM 635 NZ LYS A 39 -6.519 2.154 -3.806 1.00 2.51 N ATOM 0 H LYS A 39 -8.721 -4.336 -4.464 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.855 -1.868 -5.552 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.749 -2.290 -3.208 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.227 -2.219 -4.074 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.800 0.040 -4.938 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -9.355 -0.031 -4.132 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -8.278 -0.102 -1.928 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -6.691 -0.242 -2.659 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -8.533 2.138 -3.139 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -7.345 2.099 -1.852 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -6.329 3.168 -3.673 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -5.647 1.613 -3.636 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -6.845 1.988 -4.780 1.00 2.51 H new ATOM 649 N ASP A 40 -7.021 -3.191 -6.629 1.00 0.28 N ATOM 650 CA ASP A 40 -6.050 -3.217 -7.731 1.00 0.32 C ATOM 651 C ASP A 40 -5.326 -4.575 -7.767 1.00 0.33 C ATOM 652 O ASP A 40 -5.705 -5.513 -7.054 1.00 0.32 O ATOM 653 CB ASP A 40 -5.045 -2.047 -7.609 1.00 0.38 C ATOM 654 CG ASP A 40 -3.941 -2.336 -6.591 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.241 -2.409 -5.384 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.775 -2.500 -7.004 1.00 0.94 O ATOM 0 H ASP A 40 -6.851 -3.900 -5.916 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.586 -3.091 -8.672 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.596 -1.853 -8.583 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.578 -1.142 -7.317 1.00 0.38 H new ATOM 661 N ALA A 41 -4.282 -4.668 -8.592 1.00 0.40 N ATOM 662 CA ALA A 41 -3.492 -5.902 -8.732 1.00 0.45 C ATOM 663 C ALA A 41 -2.800 -6.285 -7.415 1.00 0.45 C ATOM 664 O ALA A 41 -2.721 -7.466 -7.074 1.00 0.47 O ATOM 665 CB ALA A 41 -2.451 -5.732 -9.842 1.00 0.55 C ATOM 0 H ALA A 41 -3.959 -3.899 -9.179 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.176 -6.709 -8.994 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -1.870 -6.649 -9.940 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -2.956 -5.520 -10.785 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -1.785 -4.906 -9.593 1.00 0.55 H new ATOM 671 N LYS A 42 -2.311 -5.288 -6.668 1.00 0.46 N ATOM 672 CA LYS A 42 -1.640 -5.540 -5.384 1.00 0.48 C ATOM 673 C LYS A 42 -2.655 -5.997 -4.334 1.00 0.43 C ATOM 674 O LYS A 42 -2.397 -6.933 -3.577 1.00 0.47 O ATOM 675 CB LYS A 42 -0.905 -4.281 -4.904 1.00 0.54 C ATOM 676 CG LYS A 42 0.453 -4.120 -5.599 1.00 0.77 C ATOM 677 CD LYS A 42 0.593 -2.743 -6.252 1.00 1.12 C ATOM 678 CE LYS A 42 0.112 -2.757 -7.707 1.00 1.96 C ATOM 679 NZ LYS A 42 1.239 -2.968 -8.654 1.00 2.76 N ATOM 0 H LYS A 42 -2.366 -4.303 -6.928 1.00 0.46 H new ATOM 0 HA LYS A 42 -0.907 -6.333 -5.528 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -1.521 -3.403 -5.099 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.758 -4.334 -3.825 1.00 0.54 H new ATOM 0 HG2 LYS A 42 1.253 -4.262 -4.872 1.00 0.77 H new ATOM 0 HG3 LYS A 42 0.569 -4.896 -6.356 1.00 0.77 H new ATOM 0 HD2 LYS A 42 0.018 -2.011 -5.685 1.00 1.12 H new ATOM 0 HD3 LYS A 42 1.636 -2.427 -6.216 1.00 1.12 H new ATOM 0 HE2 LYS A 42 -0.627 -3.547 -7.839 1.00 1.96 H new ATOM 0 HE3 LYS A 42 -0.385 -1.814 -7.936 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 0.877 -2.972 -9.629 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 1.932 -2.201 -8.545 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 1.697 -3.879 -8.451 1.00 2.76 H new ATOM 693 N SER A 43 -3.820 -5.344 -4.302 1.00 0.38 N ATOM 694 CA SER A 43 -4.886 -5.692 -3.354 1.00 0.38 C ATOM 695 C SER A 43 -5.383 -7.131 -3.600 1.00 0.39 C ATOM 696 O SER A 43 -5.692 -7.862 -2.657 1.00 0.45 O ATOM 697 CB SER A 43 -6.041 -4.685 -3.478 1.00 0.37 C ATOM 698 OG SER A 43 -6.795 -4.903 -4.657 1.00 1.04 O ATOM 0 H SER A 43 -4.051 -4.569 -4.923 1.00 0.38 H new ATOM 0 HA SER A 43 -4.488 -5.645 -2.340 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.692 -4.768 -2.608 1.00 0.37 H new ATOM 0 HB3 SER A 43 -5.642 -3.671 -3.482 1.00 0.37 H new ATOM 0 HG SER A 43 -6.202 -5.216 -5.371 1.00 1.04 H new ATOM 704 N ALA A 44 -5.428 -7.524 -4.882 1.00 0.37 N ATOM 705 CA ALA A 44 -5.855 -8.862 -5.292 1.00 0.43 C ATOM 706 C ALA A 44 -4.799 -9.902 -4.903 1.00 0.51 C ATOM 707 O ALA A 44 -5.121 -10.952 -4.348 1.00 0.59 O ATOM 708 CB ALA A 44 -6.090 -8.890 -6.809 1.00 0.43 C ATOM 0 H ALA A 44 -5.168 -6.919 -5.661 1.00 0.37 H new ATOM 0 HA ALA A 44 -6.786 -9.107 -4.781 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -6.408 -9.888 -7.110 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -6.864 -8.169 -7.071 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.165 -8.633 -7.325 1.00 0.43 H new ATOM 714 N ALA A 45 -3.532 -9.591 -5.198 1.00 0.54 N ATOM 715 CA ALA A 45 -2.402 -10.481 -4.890 1.00 0.64 C ATOM 716 C ALA A 45 -2.192 -10.625 -3.377 1.00 0.68 C ATOM 717 O ALA A 45 -1.910 -11.717 -2.888 1.00 0.76 O ATOM 718 CB ALA A 45 -1.128 -9.939 -5.538 1.00 0.69 C ATOM 0 H ALA A 45 -3.260 -8.721 -5.655 1.00 0.54 H new ATOM 0 HA ALA A 45 -2.632 -11.468 -5.292 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -0.293 -10.601 -5.308 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.263 -9.887 -6.618 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -0.918 -8.942 -5.150 1.00 0.69 H new ATOM 724 N SER A 46 -2.324 -9.513 -2.649 1.00 0.65 N ATOM 725 CA SER A 46 -2.148 -9.502 -1.192 1.00 0.73 C ATOM 726 C SER A 46 -3.332 -10.197 -0.495 1.00 0.74 C ATOM 727 O SER A 46 -3.141 -10.943 0.471 1.00 0.84 O ATOM 728 CB SER A 46 -2.003 -8.054 -0.690 1.00 0.75 C ATOM 729 OG SER A 46 -1.420 -8.020 0.606 1.00 1.21 O ATOM 0 H SER A 46 -2.554 -8.602 -3.047 1.00 0.65 H new ATOM 0 HA SER A 46 -1.240 -10.053 -0.947 1.00 0.73 H new ATOM 0 HB2 SER A 46 -1.386 -7.484 -1.385 1.00 0.75 H new ATOM 0 HB3 SER A 46 -2.981 -7.574 -0.665 1.00 0.75 H new ATOM 0 HG SER A 46 -1.337 -7.090 0.903 1.00 1.21 H new ATOM 735 N GLY A 47 -4.546 -9.952 -0.997 1.00 0.70 N ATOM 736 CA GLY A 47 -5.768 -10.548 -0.445 1.00 0.74 C ATOM 737 C GLY A 47 -6.512 -9.560 0.454 1.00 0.75 C ATOM 738 O GLY A 47 -6.894 -9.896 1.576 1.00 0.88 O ATOM 0 H GLY A 47 -4.710 -9.337 -1.794 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -6.420 -10.864 -1.259 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -5.514 -11.441 0.125 1.00 0.74 H new ATOM 742 N ILE A 48 -6.729 -8.346 -0.054 1.00 0.67 N ATOM 743 CA ILE A 48 -7.444 -7.297 0.683 1.00 0.72 C ATOM 744 C ILE A 48 -8.866 -7.179 0.122 1.00 0.75 C ATOM 745 O ILE A 48 -9.041 -6.960 -1.075 1.00 0.75 O ATOM 746 CB ILE A 48 -6.701 -5.954 0.548 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.254 -6.091 1.040 1.00 0.78 C ATOM 748 CG2 ILE A 48 -7.413 -4.847 1.331 1.00 0.82 C ATOM 749 CD1 ILE A 48 -4.428 -4.848 0.717 1.00 0.97 C ATOM 0 H ILE A 48 -6.417 -8.061 -0.982 1.00 0.67 H new ATOM 0 HA ILE A 48 -7.490 -7.556 1.741 1.00 0.72 H new ATOM 0 HB ILE A 48 -6.696 -5.681 -0.507 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -5.250 -6.261 2.117 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -4.794 -6.964 0.578 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -6.866 -3.911 1.217 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -8.426 -4.724 0.948 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -7.455 -5.117 2.386 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -3.410 -4.983 1.081 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -4.410 -4.693 -0.362 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -4.874 -3.979 1.201 1.00 0.97 H new ATOM 761 N PRO A 49 -9.905 -7.330 0.973 1.00 0.84 N ATOM 762 CA PRO A 49 -11.314 -7.246 0.534 1.00 0.93 C ATOM 763 C PRO A 49 -11.750 -5.813 0.190 1.00 0.93 C ATOM 764 O PRO A 49 -11.371 -4.856 0.873 1.00 1.08 O ATOM 765 CB PRO A 49 -12.102 -7.793 1.722 1.00 1.07 C ATOM 766 CG PRO A 49 -11.228 -7.572 2.913 1.00 1.06 C ATOM 767 CD PRO A 49 -9.798 -7.596 2.423 1.00 0.92 C ATOM 0 HA PRO A 49 -11.480 -7.806 -0.387 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -13.055 -7.276 1.833 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.327 -8.851 1.591 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -11.457 -6.618 3.388 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -11.392 -8.348 3.661 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -9.193 -6.839 2.923 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -9.327 -8.560 2.617 1.00 0.92 H new ATOM 775 N TYR A 50 -12.545 -5.686 -0.873 1.00 0.87 N ATOM 776 CA TYR A 50 -13.051 -4.393 -1.339 1.00 0.91 C ATOM 777 C TYR A 50 -14.552 -4.492 -1.622 1.00 1.12 C ATOM 778 O TYR A 50 -15.057 -5.554 -1.996 1.00 1.91 O ATOM 779 CB TYR A 50 -12.286 -3.971 -2.604 1.00 0.92 C ATOM 780 CG TYR A 50 -12.231 -2.468 -2.797 1.00 0.94 C ATOM 781 CD1 TYR A 50 -11.386 -1.696 -2.012 1.00 1.02 C ATOM 782 CD2 TYR A 50 -13.026 -1.858 -3.755 1.00 1.13 C ATOM 783 CE1 TYR A 50 -11.337 -0.323 -2.188 1.00 1.13 C ATOM 784 CE2 TYR A 50 -12.974 -0.485 -3.928 1.00 1.24 C ATOM 785 CZ TYR A 50 -12.132 0.275 -3.142 1.00 1.17 C ATOM 786 OH TYR A 50 -12.084 1.641 -3.311 1.00 1.34 O ATOM 0 H TYR A 50 -12.857 -6.477 -1.436 1.00 0.87 H new ATOM 0 HA TYR A 50 -12.897 -3.639 -0.567 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -11.270 -4.361 -2.553 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -12.759 -4.425 -3.475 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -10.766 -2.166 -1.263 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -13.687 -2.454 -4.367 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -10.677 0.278 -1.579 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -13.591 -0.010 -4.676 1.00 1.24 H new ATOM 0 HH TYR A 50 -12.527 1.882 -4.151 1.00 1.34 H new ATOM 796 N HIS A 51 -15.256 -3.371 -1.441 1.00 1.28 N ATOM 797 CA HIS A 51 -16.707 -3.273 -1.663 1.00 1.53 C ATOM 798 C HIS A 51 -17.503 -4.010 -0.576 1.00 1.61 C ATOM 799 O HIS A 51 -16.940 -4.707 0.277 1.00 2.07 O ATOM 800 CB HIS A 51 -17.096 -3.784 -3.075 1.00 2.01 C ATOM 801 CG HIS A 51 -17.607 -2.690 -3.964 1.00 2.54 C ATOM 802 ND1 HIS A 51 -18.938 -2.476 -4.223 1.00 3.19 N ATOM 803 CD2 HIS A 51 -16.955 -1.722 -4.650 1.00 2.89 C ATOM 804 CE1 HIS A 51 -19.100 -1.444 -5.017 1.00 3.87 C ATOM 805 NE2 HIS A 51 -17.905 -0.954 -5.299 1.00 3.74 N ATOM 0 H HIS A 51 -14.833 -2.495 -1.133 1.00 1.28 H new ATOM 0 HA HIS A 51 -16.969 -2.217 -1.601 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -16.227 -4.250 -3.541 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -17.859 -4.556 -2.980 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -15.886 -1.576 -4.684 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -20.044 -1.062 -5.377 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -17.716 -0.147 -5.894 1.00 3.74 H new ATOM 813 N SER A 52 -18.825 -3.833 -0.612 1.00 1.60 N ATOM 814 CA SER A 52 -19.738 -4.455 0.354 1.00 1.96 C ATOM 815 C SER A 52 -19.805 -5.967 0.120 1.00 1.85 C ATOM 816 O SER A 52 -19.671 -6.759 1.054 1.00 2.45 O ATOM 817 CB SER A 52 -21.138 -3.829 0.227 1.00 2.44 C ATOM 818 OG SER A 52 -21.055 -2.453 -0.142 1.00 2.65 O ATOM 0 H SER A 52 -19.294 -3.256 -1.310 1.00 1.60 H new ATOM 0 HA SER A 52 -19.364 -4.278 1.362 1.00 1.96 H new ATOM 0 HB2 SER A 52 -21.717 -4.374 -0.518 1.00 2.44 H new ATOM 0 HB3 SER A 52 -21.669 -3.923 1.174 1.00 2.44 H new ATOM 0 HG SER A 52 -21.958 -2.080 -0.218 1.00 2.65 H new ATOM 824 N GLU A 53 -19.989 -6.352 -1.144 1.00 1.45 N ATOM 825 CA GLU A 53 -20.052 -7.759 -1.544 1.00 1.37 C ATOM 826 C GLU A 53 -18.827 -8.073 -2.400 1.00 1.08 C ATOM 827 O GLU A 53 -18.822 -7.799 -3.605 1.00 1.24 O ATOM 828 CB GLU A 53 -21.345 -8.021 -2.329 1.00 1.73 C ATOM 829 CG GLU A 53 -22.582 -7.860 -1.435 1.00 2.39 C ATOM 830 CD GLU A 53 -23.813 -7.508 -2.260 1.00 2.88 C ATOM 831 OE1 GLU A 53 -23.720 -6.625 -3.135 1.00 3.23 O ATOM 832 OE2 GLU A 53 -24.877 -8.123 -2.045 1.00 3.46 O ATOM 0 H GLU A 53 -20.098 -5.698 -1.919 1.00 1.45 H new ATOM 0 HA GLU A 53 -20.055 -8.403 -0.664 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -21.409 -7.330 -3.170 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -21.323 -9.028 -2.745 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -22.761 -8.785 -0.886 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -22.401 -7.080 -0.695 1.00 2.39 H new ATOM 839 N VAL A 54 -17.782 -8.615 -1.768 1.00 0.84 N ATOM 840 CA VAL A 54 -16.528 -8.938 -2.464 1.00 0.66 C ATOM 841 C VAL A 54 -16.703 -10.150 -3.391 1.00 0.55 C ATOM 842 O VAL A 54 -16.333 -10.082 -4.563 1.00 0.49 O ATOM 843 CB VAL A 54 -15.374 -9.186 -1.464 1.00 0.81 C ATOM 844 CG1 VAL A 54 -14.020 -8.917 -2.125 1.00 0.77 C ATOM 845 CG2 VAL A 54 -15.524 -8.320 -0.209 1.00 1.34 C ATOM 0 H VAL A 54 -17.777 -8.841 -0.773 1.00 0.84 H new ATOM 0 HA VAL A 54 -16.266 -8.074 -3.075 1.00 0.66 H new ATOM 0 HB VAL A 54 -15.421 -10.233 -1.163 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -13.222 -9.097 -1.405 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -13.894 -9.581 -2.980 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.979 -7.881 -2.461 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -14.697 -8.520 0.472 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -15.516 -7.267 -0.490 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -16.466 -8.556 0.286 1.00 1.34 H new ATOM 855 N PRO A 55 -17.278 -11.272 -2.895 1.00 0.62 N ATOM 856 CA PRO A 55 -17.493 -12.478 -3.704 1.00 0.59 C ATOM 857 C PRO A 55 -18.853 -12.441 -4.414 1.00 0.58 C ATOM 858 O PRO A 55 -19.889 -12.282 -3.767 1.00 0.83 O ATOM 859 CB PRO A 55 -17.433 -13.606 -2.671 1.00 0.76 C ATOM 860 CG PRO A 55 -17.811 -12.982 -1.356 1.00 0.87 C ATOM 861 CD PRO A 55 -17.781 -11.475 -1.522 1.00 0.83 C ATOM 0 HA PRO A 55 -16.760 -12.592 -4.503 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -18.119 -14.412 -2.932 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -16.434 -14.040 -2.624 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -18.804 -13.311 -1.050 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -17.118 -13.292 -0.574 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -18.772 -11.040 -1.393 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -17.129 -11.006 -0.785 1.00 0.83 H new ATOM 869 N VAL A 56 -18.844 -12.580 -5.739 1.00 0.41 N ATOM 870 CA VAL A 56 -20.078 -12.558 -6.536 1.00 0.43 C ATOM 871 C VAL A 56 -20.036 -13.675 -7.586 1.00 0.42 C ATOM 872 O VAL A 56 -19.008 -13.901 -8.223 1.00 0.43 O ATOM 873 CB VAL A 56 -20.246 -11.179 -7.200 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.475 -11.152 -8.117 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.344 -10.075 -6.135 1.00 0.63 C ATOM 0 H VAL A 56 -17.994 -12.710 -6.288 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.936 -12.730 -5.887 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.365 -10.993 -7.814 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.568 -10.166 -8.572 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.362 -11.903 -8.899 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.370 -11.368 -7.533 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.462 -9.108 -6.623 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.204 -10.265 -5.492 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.435 -10.069 -5.533 1.00 0.63 H new ATOM 885 N SER A 57 -21.158 -14.377 -7.749 1.00 0.47 N ATOM 886 CA SER A 57 -21.275 -15.480 -8.696 1.00 0.48 C ATOM 887 C SER A 57 -21.545 -14.970 -10.117 1.00 0.46 C ATOM 888 O SER A 57 -22.407 -14.110 -10.326 1.00 0.59 O ATOM 889 CB SER A 57 -22.422 -16.373 -8.247 1.00 0.61 C ATOM 890 OG SER A 57 -22.225 -16.826 -6.913 1.00 0.91 O ATOM 0 H SER A 57 -22.013 -14.194 -7.224 1.00 0.47 H new ATOM 0 HA SER A 57 -20.337 -16.034 -8.716 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.362 -15.825 -8.313 1.00 0.61 H new ATOM 0 HB3 SER A 57 -22.505 -17.229 -8.917 1.00 0.61 H new ATOM 0 HG SER A 57 -21.267 -16.835 -6.709 1.00 0.91 H new ATOM 896 N LEU A 58 -20.824 -15.531 -11.089 1.00 0.44 N ATOM 897 CA LEU A 58 -20.984 -15.176 -12.508 1.00 0.49 C ATOM 898 C LEU A 58 -21.649 -16.326 -13.273 1.00 0.60 C ATOM 899 O LEU A 58 -21.909 -16.208 -14.470 1.00 0.89 O ATOM 900 CB LEU A 58 -19.613 -14.869 -13.137 1.00 0.67 C ATOM 901 CG LEU A 58 -19.144 -13.441 -12.842 1.00 0.70 C ATOM 902 CD1 LEU A 58 -17.809 -13.173 -13.532 1.00 0.86 C ATOM 903 CD2 LEU A 58 -20.187 -12.411 -13.284 1.00 0.60 C ATOM 0 H LEU A 58 -20.113 -16.243 -10.920 1.00 0.44 H new ATOM 0 HA LEU A 58 -21.616 -14.290 -12.571 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -18.875 -15.577 -12.758 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -19.670 -15.015 -14.216 1.00 0.67 H new ATOM 0 HG LEU A 58 -19.014 -13.344 -11.764 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -17.485 -12.155 -13.315 1.00 0.86 H new ATOM 0 HD12 LEU A 58 -17.062 -13.877 -13.165 1.00 0.86 H new ATOM 0 HD13 LEU A 58 -17.925 -13.295 -14.609 1.00 0.86 H new ATOM 0 HD21 LEU A 58 -19.825 -11.407 -13.061 1.00 0.60 H new ATOM 0 HD22 LEU A 58 -20.359 -12.505 -14.356 1.00 0.60 H new ATOM 0 HD23 LEU A 58 -21.121 -12.586 -12.750 1.00 0.60 H new ATOM 915 N LYS A 59 -21.905 -17.441 -12.575 1.00 0.70 N ATOM 916 CA LYS A 59 -22.523 -18.633 -13.164 1.00 0.90 C ATOM 917 C LYS A 59 -23.871 -18.287 -13.808 1.00 0.87 C ATOM 918 O LYS A 59 -24.840 -17.973 -13.111 1.00 0.95 O ATOM 919 CB LYS A 59 -22.704 -19.707 -12.077 1.00 1.13 C ATOM 920 CG LYS A 59 -22.683 -21.118 -12.673 1.00 1.41 C ATOM 921 CD LYS A 59 -23.501 -22.090 -11.819 1.00 1.78 C ATOM 922 CE LYS A 59 -23.514 -23.500 -12.413 1.00 2.18 C ATOM 923 NZ LYS A 59 -22.154 -24.113 -12.415 1.00 2.83 N ATOM 0 H LYS A 59 -21.688 -17.540 -11.583 1.00 0.70 H new ATOM 0 HA LYS A 59 -21.870 -19.020 -13.946 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -21.911 -19.612 -11.335 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -23.648 -19.544 -11.557 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -23.084 -21.094 -13.686 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -21.654 -21.470 -12.745 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -23.087 -22.124 -10.811 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -24.524 -21.724 -11.731 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -24.195 -24.129 -11.841 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -23.897 -23.461 -13.433 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -22.231 -25.129 -12.206 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -21.716 -23.984 -13.349 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -21.565 -23.654 -11.691 1.00 2.83 H new ATOM 937 N GLU A 60 -23.907 -18.327 -15.144 1.00 0.89 N ATOM 938 CA GLU A 60 -25.108 -18.003 -15.931 1.00 0.93 C ATOM 939 C GLU A 60 -25.482 -16.525 -15.772 1.00 0.71 C ATOM 940 O GLU A 60 -26.568 -16.194 -15.293 1.00 0.82 O ATOM 941 CB GLU A 60 -26.289 -18.906 -15.538 1.00 1.20 C ATOM 942 CG GLU A 60 -25.940 -20.387 -15.724 1.00 1.43 C ATOM 943 CD GLU A 60 -27.131 -21.274 -15.386 1.00 1.80 C ATOM 944 OE1 GLU A 60 -28.284 -20.862 -15.634 1.00 2.04 O ATOM 945 OE2 GLU A 60 -26.916 -22.392 -14.876 1.00 2.33 O ATOM 0 H GLU A 60 -23.102 -18.586 -15.715 1.00 0.89 H new ATOM 0 HA GLU A 60 -24.878 -18.187 -16.980 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -26.561 -18.722 -14.499 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -27.159 -18.656 -16.145 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -25.630 -20.565 -16.754 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -25.095 -20.648 -15.087 1.00 1.43 H new ATOM 952 N ALA A 61 -24.570 -15.646 -16.186 1.00 0.51 N ATOM 953 CA ALA A 61 -24.775 -14.199 -16.110 1.00 0.35 C ATOM 954 C ALA A 61 -25.112 -13.647 -17.495 1.00 0.35 C ATOM 955 O ALA A 61 -24.454 -13.987 -18.485 1.00 0.43 O ATOM 956 CB ALA A 61 -23.512 -13.519 -15.571 1.00 0.31 C ATOM 0 H ALA A 61 -23.670 -15.916 -16.583 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.605 -13.994 -15.434 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.673 -12.442 -15.518 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.289 -13.902 -14.575 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.674 -13.728 -16.236 1.00 0.31 H new ATOM 962 N ILE A 62 -26.124 -12.784 -17.559 1.00 0.34 N ATOM 963 CA ILE A 62 -26.543 -12.165 -18.819 1.00 0.37 C ATOM 964 C ILE A 62 -25.765 -10.865 -19.017 1.00 0.31 C ATOM 965 O ILE A 62 -25.718 -10.012 -18.126 1.00 0.31 O ATOM 966 CB ILE A 62 -28.054 -11.892 -18.830 1.00 0.46 C ATOM 967 CG1 ILE A 62 -28.832 -13.101 -18.287 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.520 -11.544 -20.252 1.00 0.57 C ATOM 969 CD1 ILE A 62 -30.340 -12.918 -18.454 1.00 1.27 C ATOM 0 H ILE A 62 -26.673 -12.495 -16.749 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.329 -12.851 -19.638 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.255 -11.041 -18.179 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.514 -14.004 -18.809 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.596 -13.243 -17.232 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.593 -11.353 -20.247 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -27.994 -10.655 -20.600 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.304 -12.378 -20.920 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -30.858 -13.792 -18.059 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -30.661 -12.029 -17.911 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -30.578 -12.802 -19.511 1.00 1.27 H new ATOM 981 N CYS A 63 -25.142 -10.733 -20.177 1.00 0.34 N ATOM 982 CA CYS A 63 -24.332 -9.566 -20.515 1.00 0.33 C ATOM 983 C CYS A 63 -24.788 -8.988 -21.859 1.00 0.34 C ATOM 984 O CYS A 63 -24.756 -9.676 -22.881 1.00 0.52 O ATOM 985 CB CYS A 63 -22.850 -9.983 -20.560 1.00 0.37 C ATOM 986 SG CYS A 63 -21.732 -8.632 -20.172 1.00 0.53 S ATOM 0 H CYS A 63 -25.182 -11.434 -20.917 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.455 -8.790 -19.759 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.685 -10.798 -19.855 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.616 -10.368 -21.553 1.00 0.37 H new ATOM 0 HG CYS A 63 -20.579 -9.113 -19.812 1.00 0.53 H new ATOM 992 N GLU A 64 -25.223 -7.725 -21.843 1.00 0.26 N ATOM 993 CA GLU A 64 -25.700 -7.029 -23.048 1.00 0.29 C ATOM 994 C GLU A 64 -24.741 -5.896 -23.407 1.00 0.24 C ATOM 995 O GLU A 64 -24.153 -5.279 -22.525 1.00 0.36 O ATOM 996 CB GLU A 64 -27.109 -6.479 -22.800 1.00 0.33 C ATOM 997 CG GLU A 64 -28.025 -7.568 -22.231 1.00 0.81 C ATOM 998 CD GLU A 64 -29.486 -7.204 -22.441 1.00 1.41 C ATOM 999 OE1 GLU A 64 -29.979 -7.327 -23.576 1.00 1.83 O ATOM 1000 OE2 GLU A 64 -30.144 -6.784 -21.468 1.00 1.96 O ATOM 0 H GLU A 64 -25.256 -7.155 -20.998 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.737 -7.730 -23.882 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -27.060 -5.640 -22.106 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.525 -6.098 -23.733 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -27.809 -8.521 -22.714 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.827 -7.698 -21.167 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.580 -5.630 -24.698 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.678 -4.572 -25.173 1.00 0.32 C ATOM 1009 C VAL A 65 -24.391 -3.215 -25.190 1.00 0.31 C ATOM 1010 O VAL A 65 -25.517 -3.099 -25.685 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.166 -4.916 -26.581 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -22.034 -3.970 -26.996 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.686 -6.364 -26.642 1.00 0.39 C ATOM 0 H VAL A 65 -25.063 -6.132 -25.443 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.832 -4.505 -24.489 1.00 0.32 H new ATOM 0 HB VAL A 65 -23.995 -4.792 -27.278 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.688 -4.233 -27.996 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.400 -2.943 -26.997 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.208 -4.060 -26.291 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.328 -6.587 -27.647 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -21.876 -6.509 -25.928 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.511 -7.032 -26.395 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.719 -2.195 -24.656 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.243 -0.826 -24.599 1.00 0.31 C ATOM 1025 C ALA A 66 -23.183 0.140 -25.138 1.00 0.34 C ATOM 1026 O ALA A 66 -22.464 0.790 -24.379 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.622 -0.467 -23.153 1.00 0.36 C ATOM 0 H ALA A 66 -22.790 -2.294 -24.248 1.00 0.25 H new ATOM 0 HA ALA A 66 -25.140 -0.749 -25.214 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -25.010 0.551 -23.121 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.385 -1.158 -22.795 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.740 -0.539 -22.517 1.00 0.36 H new ATOM 1033 N LEU A 67 -23.085 0.220 -26.463 1.00 0.55 N ATOM 1034 CA LEU A 67 -22.106 1.097 -27.128 1.00 0.71 C ATOM 1035 C LEU A 67 -22.700 2.489 -27.398 1.00 0.89 C ATOM 1036 O LEU A 67 -22.087 3.308 -28.083 1.00 1.22 O ATOM 1037 CB LEU A 67 -21.642 0.449 -28.448 1.00 0.76 C ATOM 1038 CG LEU A 67 -20.117 0.494 -28.592 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -19.485 -0.748 -27.964 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -19.715 0.613 -30.063 1.00 1.39 C ATOM 0 H LEU A 67 -23.672 -0.312 -27.106 1.00 0.55 H new ATOM 0 HA LEU A 67 -21.250 1.223 -26.466 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -21.981 -0.586 -28.485 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -22.103 0.966 -29.290 1.00 0.76 H new ATOM 0 HG LEU A 67 -19.749 1.375 -28.065 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -18.402 -0.701 -28.075 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -19.740 -0.790 -26.905 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -19.862 -1.640 -28.464 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -18.628 0.643 -30.142 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -20.095 -0.247 -30.615 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -20.135 1.527 -30.482 1.00 1.39 H new ATOM 1052 N ASP A 68 -23.897 2.748 -26.863 1.00 0.90 N ATOM 1053 CA ASP A 68 -24.578 4.037 -27.055 1.00 1.14 C ATOM 1054 C ASP A 68 -25.354 4.424 -25.787 1.00 0.87 C ATOM 1055 O ASP A 68 -26.481 4.912 -25.860 1.00 1.00 O ATOM 1056 CB ASP A 68 -25.527 3.941 -28.266 1.00 1.59 C ATOM 1057 CG ASP A 68 -25.829 5.321 -28.847 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -25.018 5.825 -29.650 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -26.887 5.895 -28.517 1.00 2.62 O ATOM 0 H ASP A 68 -24.417 2.082 -26.292 1.00 0.90 H new ATOM 0 HA ASP A 68 -23.836 4.812 -27.247 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -25.077 3.312 -29.034 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -26.457 3.460 -27.964 1.00 1.59 H new ATOM 1064 N TYR A 69 -24.736 4.217 -24.622 1.00 0.81 N ATOM 1065 CA TYR A 69 -25.354 4.558 -23.332 1.00 0.69 C ATOM 1066 C TYR A 69 -25.007 6.003 -22.971 1.00 0.97 C ATOM 1067 O TYR A 69 -23.946 6.260 -22.402 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.858 3.600 -22.235 1.00 0.58 C ATOM 1069 CG TYR A 69 -25.440 3.905 -20.868 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.807 3.810 -20.660 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.613 4.287 -19.822 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -27.344 4.097 -19.418 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -25.153 4.573 -18.577 1.00 0.64 C ATOM 1074 CZ TYR A 69 -26.518 4.476 -18.382 1.00 0.76 C ATOM 1075 OH TYR A 69 -27.056 4.760 -17.145 1.00 0.97 O ATOM 0 H TYR A 69 -23.803 3.813 -24.542 1.00 0.81 H new ATOM 0 HA TYR A 69 -26.436 4.457 -23.412 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -25.114 2.577 -22.512 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.771 3.653 -22.180 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -27.455 3.511 -21.470 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -23.547 4.362 -19.977 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -28.410 4.024 -19.260 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -24.509 4.871 -17.763 1.00 0.64 H new ATOM 0 HH TYR A 69 -26.339 5.010 -16.526 1.00 0.97 H new ATOM 1085 N LYS A 70 -25.897 6.940 -23.336 1.00 1.40 N ATOM 1086 CA LYS A 70 -25.714 8.387 -23.090 1.00 1.81 C ATOM 1087 C LYS A 70 -24.657 8.983 -24.035 1.00 1.82 C ATOM 1088 O LYS A 70 -24.824 10.093 -24.544 1.00 2.53 O ATOM 1089 CB LYS A 70 -25.355 8.674 -21.620 1.00 2.43 C ATOM 1090 CG LYS A 70 -26.339 7.992 -20.656 1.00 2.98 C ATOM 1091 CD LYS A 70 -26.323 8.655 -19.275 1.00 3.79 C ATOM 1092 CE LYS A 70 -27.548 8.262 -18.441 1.00 4.45 C ATOM 1093 NZ LYS A 70 -28.816 8.772 -19.041 1.00 4.84 N ATOM 0 H LYS A 70 -26.771 6.717 -23.813 1.00 1.40 H new ATOM 0 HA LYS A 70 -26.668 8.871 -23.298 1.00 1.81 H new ATOM 0 HB2 LYS A 70 -24.343 8.324 -21.417 1.00 2.43 H new ATOM 0 HB3 LYS A 70 -25.361 9.750 -21.446 1.00 2.43 H new ATOM 0 HG2 LYS A 70 -27.346 8.037 -21.071 1.00 2.98 H new ATOM 0 HG3 LYS A 70 -26.081 6.937 -20.557 1.00 2.98 H new ATOM 0 HD2 LYS A 70 -25.415 8.368 -18.745 1.00 3.79 H new ATOM 0 HD3 LYS A 70 -26.295 9.738 -19.392 1.00 3.79 H new ATOM 0 HE2 LYS A 70 -27.597 7.176 -18.357 1.00 4.45 H new ATOM 0 HE3 LYS A 70 -27.441 8.655 -17.430 1.00 4.45 H new ATOM 0 HZ1 LYS A 70 -29.564 8.777 -18.319 1.00 4.84 H new ATOM 0 HZ2 LYS A 70 -28.669 9.739 -19.394 1.00 4.84 H new ATOM 0 HZ3 LYS A 70 -29.100 8.156 -19.829 1.00 4.84 H new ATOM 1107 N LYS A 71 -23.583 8.230 -24.268 1.00 1.80 N ATOM 1108 CA LYS A 71 -22.490 8.637 -25.148 1.00 2.22 C ATOM 1109 C LYS A 71 -21.868 7.391 -25.788 1.00 2.19 C ATOM 1110 O LYS A 71 -22.185 6.259 -25.402 1.00 2.78 O ATOM 1111 CB LYS A 71 -21.429 9.431 -24.357 1.00 2.97 C ATOM 1112 CG LYS A 71 -21.279 8.931 -22.910 1.00 3.56 C ATOM 1113 CD LYS A 71 -20.084 9.587 -22.217 1.00 4.44 C ATOM 1114 CE LYS A 71 -20.174 9.456 -20.691 1.00 5.27 C ATOM 1115 NZ LYS A 71 -20.942 10.583 -20.084 1.00 5.62 N ATOM 0 H LYS A 71 -23.446 7.311 -23.847 1.00 1.80 H new ATOM 0 HA LYS A 71 -22.878 9.286 -25.933 1.00 2.22 H new ATOM 0 HB2 LYS A 71 -20.468 9.355 -24.866 1.00 2.97 H new ATOM 0 HB3 LYS A 71 -21.702 10.486 -24.347 1.00 2.97 H new ATOM 0 HG2 LYS A 71 -22.190 9.148 -22.352 1.00 3.56 H new ATOM 0 HG3 LYS A 71 -21.154 7.848 -22.908 1.00 3.56 H new ATOM 0 HD2 LYS A 71 -19.161 9.126 -22.568 1.00 4.44 H new ATOM 0 HD3 LYS A 71 -20.038 10.641 -22.490 1.00 4.44 H new ATOM 0 HE2 LYS A 71 -20.652 8.510 -20.435 1.00 5.27 H new ATOM 0 HE3 LYS A 71 -19.170 9.431 -20.268 1.00 5.27 H new ATOM 0 HZ1 LYS A 71 -20.982 10.460 -19.052 1.00 5.62 H new ATOM 0 HZ2 LYS A 71 -20.472 11.483 -20.308 1.00 5.62 H new ATOM 0 HZ3 LYS A 71 -21.908 10.592 -20.469 1.00 5.62 H new ATOM 1129 N LYS A 72 -20.989 7.595 -26.764 1.00 2.22 N ATOM 1130 CA LYS A 72 -20.326 6.486 -27.455 1.00 2.54 C ATOM 1131 C LYS A 72 -19.146 5.965 -26.631 1.00 1.92 C ATOM 1132 O LYS A 72 -18.000 6.362 -26.841 1.00 2.45 O ATOM 1133 CB LYS A 72 -19.854 6.931 -28.844 1.00 3.71 C ATOM 1134 CG LYS A 72 -21.024 7.437 -29.699 1.00 4.59 C ATOM 1135 CD LYS A 72 -20.797 7.146 -31.186 1.00 5.67 C ATOM 1136 CE LYS A 72 -21.302 5.753 -31.574 1.00 6.56 C ATOM 1137 NZ LYS A 72 -22.782 5.736 -31.763 1.00 7.03 N ATOM 0 H LYS A 72 -20.716 8.520 -27.098 1.00 2.22 H new ATOM 0 HA LYS A 72 -21.045 5.675 -27.574 1.00 2.54 H new ATOM 0 HB2 LYS A 72 -19.109 7.720 -28.741 1.00 3.71 H new ATOM 0 HB3 LYS A 72 -19.367 6.097 -29.349 1.00 3.71 H new ATOM 0 HG2 LYS A 72 -21.948 6.962 -29.371 1.00 4.59 H new ATOM 0 HG3 LYS A 72 -21.147 8.510 -29.551 1.00 4.59 H new ATOM 0 HD2 LYS A 72 -21.308 7.899 -31.786 1.00 5.67 H new ATOM 0 HD3 LYS A 72 -19.734 7.224 -31.414 1.00 5.67 H new ATOM 0 HE2 LYS A 72 -20.814 5.432 -32.494 1.00 6.56 H new ATOM 0 HE3 LYS A 72 -21.026 5.037 -30.800 1.00 6.56 H new ATOM 0 HZ1 LYS A 72 -23.058 4.867 -32.263 1.00 7.03 H new ATOM 0 HZ2 LYS A 72 -23.251 5.766 -30.835 1.00 7.03 H new ATOM 0 HZ3 LYS A 72 -23.070 6.564 -32.323 1.00 7.03 H new ATOM 1151 N LYS A 73 -19.444 5.064 -25.700 1.00 1.52 N ATOM 1152 CA LYS A 73 -18.452 4.449 -24.840 1.00 1.35 C ATOM 1153 C LYS A 73 -18.744 2.957 -24.770 1.00 1.05 C ATOM 1154 O LYS A 73 -19.900 2.531 -24.825 1.00 1.79 O ATOM 1155 CB LYS A 73 -18.485 5.073 -23.434 1.00 1.94 C ATOM 1156 CG LYS A 73 -18.127 6.566 -23.447 1.00 2.32 C ATOM 1157 CD LYS A 73 -16.688 6.800 -23.915 1.00 2.93 C ATOM 1158 CE LYS A 73 -16.360 8.292 -24.031 1.00 3.52 C ATOM 1159 NZ LYS A 73 -15.858 8.857 -22.744 1.00 3.96 N ATOM 0 H LYS A 73 -20.395 4.740 -25.523 1.00 1.52 H new ATOM 0 HA LYS A 73 -17.455 4.616 -25.247 1.00 1.35 H new ATOM 0 HB2 LYS A 73 -19.479 4.944 -23.006 1.00 1.94 H new ATOM 0 HB3 LYS A 73 -17.788 4.541 -22.787 1.00 1.94 H new ATOM 0 HG2 LYS A 73 -18.814 7.099 -24.104 1.00 2.32 H new ATOM 0 HG3 LYS A 73 -18.256 6.980 -22.447 1.00 2.32 H new ATOM 0 HD2 LYS A 73 -15.998 6.330 -23.215 1.00 2.93 H new ATOM 0 HD3 LYS A 73 -16.538 6.319 -24.882 1.00 2.93 H new ATOM 0 HE2 LYS A 73 -15.610 8.439 -24.808 1.00 3.52 H new ATOM 0 HE3 LYS A 73 -17.252 8.836 -24.342 1.00 3.52 H new ATOM 0 HZ1 LYS A 73 -15.648 9.868 -22.867 1.00 3.96 H new ATOM 0 HZ2 LYS A 73 -16.583 8.741 -22.008 1.00 3.96 H new ATOM 0 HZ3 LYS A 73 -14.992 8.356 -22.459 1.00 3.96 H new ATOM 1173 N HIS A 74 -17.683 2.183 -24.673 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.757 0.717 -24.615 1.00 0.38 C ATOM 1175 C HIS A 74 -18.313 0.258 -23.261 1.00 0.30 C ATOM 1176 O HIS A 74 -17.555 -0.132 -22.367 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.357 0.105 -24.842 1.00 0.64 C ATOM 1178 CG HIS A 74 -15.720 0.500 -26.145 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -15.114 1.713 -26.341 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -15.577 -0.157 -27.326 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -14.626 1.810 -27.552 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -14.889 0.679 -28.190 1.00 1.53 N ATOM 0 H HIS A 74 -16.731 2.546 -24.631 1.00 0.67 H new ATOM 0 HA HIS A 74 -18.429 0.375 -25.402 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.703 0.407 -24.024 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -16.436 -0.981 -24.803 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -15.935 -1.151 -27.550 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -14.102 2.662 -27.959 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -14.629 0.461 -29.152 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.639 0.314 -23.114 1.00 0.26 N ATOM 1191 CA VAL A 75 -20.316 -0.090 -21.878 1.00 0.23 C ATOM 1192 C VAL A 75 -21.094 -1.385 -22.121 1.00 0.22 C ATOM 1193 O VAL A 75 -21.477 -1.687 -23.254 1.00 0.26 O ATOM 1194 CB VAL A 75 -21.282 1.029 -21.419 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.857 0.734 -20.027 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.597 2.400 -21.440 1.00 0.31 C ATOM 0 H VAL A 75 -20.272 0.639 -23.845 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.574 -0.258 -21.098 1.00 0.23 H new ATOM 0 HB VAL A 75 -22.109 1.054 -22.128 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.531 1.539 -19.734 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.405 -0.208 -20.052 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -21.043 0.661 -19.305 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -21.302 3.164 -21.112 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.738 2.388 -20.769 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -20.263 2.625 -22.453 1.00 0.31 H new ATOM 1206 N PHE A 76 -21.353 -2.139 -21.060 1.00 0.22 N ATOM 1207 CA PHE A 76 -22.124 -3.377 -21.169 1.00 0.23 C ATOM 1208 C PHE A 76 -22.991 -3.554 -19.927 1.00 0.22 C ATOM 1209 O PHE A 76 -22.563 -3.285 -18.799 1.00 0.27 O ATOM 1210 CB PHE A 76 -21.231 -4.606 -21.440 1.00 0.26 C ATOM 1211 CG PHE A 76 -20.149 -4.896 -20.414 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.881 -4.356 -20.568 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -20.410 -5.745 -19.348 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.878 -4.666 -19.661 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -19.411 -6.050 -18.438 1.00 0.29 C ATOM 1216 CZ PHE A 76 -18.144 -5.510 -18.595 1.00 0.29 C ATOM 0 H PHE A 76 -21.042 -1.918 -20.114 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.778 -3.297 -22.037 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.873 -5.484 -21.517 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.754 -4.474 -22.411 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.674 -3.693 -21.395 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -21.396 -6.170 -19.227 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.890 -4.249 -19.786 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -19.619 -6.708 -17.607 1.00 0.29 H new ATOM 0 HZ PHE A 76 -17.364 -5.747 -17.886 1.00 0.29 H new ATOM 1226 N LYS A 77 -24.224 -3.989 -20.164 1.00 0.23 N ATOM 1227 CA LYS A 77 -25.217 -4.206 -19.116 1.00 0.28 C ATOM 1228 C LYS A 77 -25.061 -5.617 -18.559 1.00 0.31 C ATOM 1229 O LYS A 77 -25.466 -6.593 -19.195 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.624 -3.994 -19.704 1.00 0.36 C ATOM 1231 CG LYS A 77 -27.593 -3.393 -18.686 1.00 1.20 C ATOM 1232 CD LYS A 77 -28.206 -4.451 -17.765 1.00 1.33 C ATOM 1233 CE LYS A 77 -29.021 -5.496 -18.538 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.828 -4.890 -19.638 1.00 1.95 N ATOM 0 H LYS A 77 -24.567 -4.204 -21.100 1.00 0.23 H new ATOM 0 HA LYS A 77 -25.071 -3.497 -18.301 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.558 -3.337 -20.571 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -27.016 -4.948 -20.056 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -27.068 -2.651 -18.084 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -28.390 -2.869 -19.213 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -27.412 -4.951 -17.211 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -28.848 -3.963 -17.032 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -28.346 -6.243 -18.956 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -29.685 -6.017 -17.849 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -30.334 -5.640 -20.151 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -30.516 -4.221 -19.236 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -29.198 -4.386 -20.294 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.453 -5.721 -17.382 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.214 -7.008 -16.739 1.00 0.24 C ATOM 1250 C LEU A 78 -25.323 -7.312 -15.728 1.00 0.29 C ATOM 1251 O LEU A 78 -25.391 -6.701 -14.656 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.841 -6.980 -16.053 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.468 -8.329 -15.434 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -22.819 -9.490 -16.366 1.00 0.30 C ATOM 1255 CD2 LEU A 78 -20.986 -8.374 -15.069 1.00 0.86 C ATOM 0 H LEU A 78 -24.114 -4.920 -16.849 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.221 -7.799 -17.489 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -22.081 -6.695 -16.780 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -22.842 -6.215 -15.276 1.00 0.30 H new ATOM 0 HG LEU A 78 -23.054 -8.439 -14.521 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -22.540 -10.432 -15.894 1.00 0.30 H new ATOM 0 HD12 LEU A 78 -23.891 -9.486 -16.564 1.00 0.30 H new ATOM 0 HD13 LEU A 78 -22.276 -9.380 -17.305 1.00 0.30 H new ATOM 0 HD21 LEU A 78 -20.748 -9.344 -14.631 1.00 0.86 H new ATOM 0 HD22 LEU A 78 -20.386 -8.224 -15.966 1.00 0.86 H new ATOM 0 HD23 LEU A 78 -20.765 -7.587 -14.349 1.00 0.86 H new ATOM 1267 N ARG A 79 -26.174 -8.276 -16.078 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.277 -8.722 -15.227 1.00 0.40 C ATOM 1269 C ARG A 79 -26.941 -10.123 -14.725 1.00 0.45 C ATOM 1270 O ARG A 79 -27.065 -11.110 -15.457 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.596 -8.722 -16.013 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.809 -8.844 -15.078 1.00 1.11 C ATOM 1273 CD ARG A 79 -30.682 -10.067 -15.420 1.00 1.51 C ATOM 1274 NE ARG A 79 -31.914 -9.666 -16.110 1.00 1.91 N ATOM 1275 CZ ARG A 79 -32.864 -8.970 -15.496 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -33.504 -9.493 -14.462 1.00 2.93 N ATOM 1277 NH2 ARG A 79 -33.180 -7.760 -15.931 1.00 2.99 N ATOM 0 H ARG A 79 -26.117 -8.773 -16.967 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.404 -8.045 -14.383 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.674 -7.803 -16.594 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.598 -9.549 -16.723 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.465 -8.921 -14.047 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -30.412 -7.938 -15.146 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -30.117 -10.755 -16.049 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -30.933 -10.605 -14.506 1.00 1.51 H new ATOM 0 HE ARG A 79 -32.044 -9.929 -17.087 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -33.268 -10.430 -14.137 1.00 2.93 H new ATOM 0 HH12 ARG A 79 -34.234 -8.959 -13.990 1.00 2.93 H new ATOM 0 HH21 ARG A 79 -32.694 -7.364 -16.736 1.00 2.99 H new ATOM 0 HH22 ARG A 79 -33.909 -7.223 -15.461 1.00 2.99 H new ATOM 1291 N LEU A 80 -26.478 -10.192 -13.486 1.00 0.54 N ATOM 1292 CA LEU A 80 -26.069 -11.454 -12.861 1.00 0.68 C ATOM 1293 C LEU A 80 -27.273 -12.359 -12.572 1.00 0.84 C ATOM 1294 O LEU A 80 -28.423 -11.908 -12.561 1.00 1.06 O ATOM 1295 CB LEU A 80 -25.307 -11.155 -11.564 1.00 0.82 C ATOM 1296 CG LEU A 80 -24.134 -10.201 -11.802 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -23.297 -10.065 -10.533 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -23.266 -10.680 -12.967 1.00 1.26 C ATOM 0 H LEU A 80 -26.373 -9.378 -12.880 1.00 0.54 H new ATOM 0 HA LEU A 80 -25.420 -11.986 -13.556 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -25.989 -10.718 -10.834 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -24.937 -12.087 -11.137 1.00 0.82 H new ATOM 0 HG LEU A 80 -24.538 -9.222 -12.062 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -22.466 -9.384 -10.716 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -23.918 -9.672 -9.728 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -22.908 -11.042 -10.247 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -22.440 -9.985 -13.115 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -22.871 -11.671 -12.743 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -23.868 -10.726 -13.874 1.00 1.26 H new ATOM 1310 N SER A 81 -26.982 -13.639 -12.329 1.00 1.01 N ATOM 1311 CA SER A 81 -27.995 -14.660 -12.029 1.00 1.23 C ATOM 1312 C SER A 81 -28.782 -14.316 -10.753 1.00 1.40 C ATOM 1313 O SER A 81 -29.962 -14.651 -10.633 1.00 1.92 O ATOM 1314 CB SER A 81 -27.307 -16.031 -11.888 1.00 1.52 C ATOM 1315 OG SER A 81 -25.898 -15.896 -11.700 1.00 2.18 O ATOM 0 H SER A 81 -26.029 -14.002 -12.334 1.00 1.01 H new ATOM 0 HA SER A 81 -28.711 -14.693 -12.851 1.00 1.23 H new ATOM 0 HB2 SER A 81 -27.737 -16.569 -11.043 1.00 1.52 H new ATOM 0 HB3 SER A 81 -27.500 -16.629 -12.779 1.00 1.52 H new ATOM 0 HG SER A 81 -25.433 -16.604 -12.192 1.00 2.18 H new ATOM 1321 N ASP A 82 -28.120 -13.636 -9.810 1.00 1.33 N ATOM 1322 CA ASP A 82 -28.745 -13.220 -8.543 1.00 1.76 C ATOM 1323 C ASP A 82 -29.891 -12.234 -8.817 1.00 1.31 C ATOM 1324 O ASP A 82 -30.930 -12.276 -8.164 1.00 1.74 O ATOM 1325 CB ASP A 82 -27.691 -12.562 -7.630 1.00 2.76 C ATOM 1326 CG ASP A 82 -28.128 -12.584 -6.163 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -29.169 -11.979 -5.829 1.00 3.98 O ATOM 1328 OD2 ASP A 82 -27.416 -13.190 -5.335 1.00 3.77 O ATOM 0 H ASP A 82 -27.143 -13.359 -9.899 1.00 1.33 H new ATOM 0 HA ASP A 82 -29.150 -14.100 -8.043 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -26.740 -13.084 -7.735 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -27.526 -11.532 -7.946 1.00 2.76 H new ATOM 1333 N GLY A 83 -29.686 -11.357 -9.805 1.00 1.09 N ATOM 1334 CA GLY A 83 -30.681 -10.350 -10.201 1.00 1.53 C ATOM 1335 C GLY A 83 -30.054 -8.954 -10.272 1.00 1.31 C ATOM 1336 O GLY A 83 -30.650 -8.028 -10.858 1.00 1.88 O ATOM 0 H GLY A 83 -28.827 -11.324 -10.354 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -31.103 -10.613 -11.171 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -31.504 -10.347 -9.486 1.00 1.53 H new ATOM 1340 N ASN A 84 -28.856 -8.816 -9.652 1.00 0.93 N ATOM 1341 CA ASN A 84 -28.109 -7.547 -9.599 1.00 0.71 C ATOM 1342 C ASN A 84 -27.790 -7.036 -11.010 1.00 0.62 C ATOM 1343 O ASN A 84 -27.344 -7.803 -11.872 1.00 0.65 O ATOM 1344 CB ASN A 84 -26.793 -7.734 -8.820 1.00 0.84 C ATOM 1345 CG ASN A 84 -27.036 -8.194 -7.378 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -27.918 -9.010 -7.114 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -26.243 -7.687 -6.446 1.00 1.32 N ATOM 0 H ASN A 84 -28.385 -9.586 -9.176 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.736 -6.814 -9.091 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -26.169 -8.466 -9.333 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -26.240 -6.794 -8.812 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -26.353 -7.971 -5.473 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -25.522 -7.012 -6.702 1.00 1.32 H new ATOM 1354 N GLU A 85 -28.018 -5.741 -11.230 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.768 -5.094 -12.523 1.00 0.55 C ATOM 1356 C GLU A 85 -26.720 -3.986 -12.365 1.00 0.47 C ATOM 1357 O GLU A 85 -26.951 -2.988 -11.668 1.00 0.60 O ATOM 1358 CB GLU A 85 -29.082 -4.511 -13.060 1.00 0.70 C ATOM 1359 CG GLU A 85 -29.867 -5.552 -13.859 1.00 1.16 C ATOM 1360 CD GLU A 85 -31.085 -4.913 -14.510 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -30.923 -4.198 -15.519 1.00 1.43 O ATOM 1362 OE2 GLU A 85 -32.208 -5.114 -14.009 1.00 1.39 O ATOM 0 H GLU A 85 -28.382 -5.108 -10.517 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.386 -5.831 -13.229 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.690 -4.153 -12.229 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.868 -3.649 -13.693 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -29.227 -5.991 -14.624 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -30.181 -6.363 -13.202 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.574 -4.166 -13.025 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.472 -3.197 -12.990 1.00 0.31 C ATOM 1371 C TYR A 86 -24.058 -2.828 -14.419 1.00 0.29 C ATOM 1372 O TYR A 86 -24.061 -3.683 -15.313 1.00 0.40 O ATOM 1373 CB TYR A 86 -23.242 -3.794 -12.283 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.509 -4.402 -10.924 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -23.845 -3.594 -9.852 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -23.376 -5.769 -10.741 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -24.057 -4.150 -8.604 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -23.593 -6.325 -9.491 1.00 0.62 C ATOM 1379 CZ TYR A 86 -23.926 -5.511 -8.427 1.00 0.63 C ATOM 1380 OH TYR A 86 -24.131 -6.060 -7.183 1.00 0.77 O ATOM 0 H TYR A 86 -25.382 -4.987 -13.599 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.819 -2.317 -12.448 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.810 -4.560 -12.927 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.492 -3.011 -12.171 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -23.942 -2.527 -9.990 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -23.103 -6.401 -11.573 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -24.325 -3.519 -7.769 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -23.502 -7.392 -9.349 1.00 0.62 H new ATOM 0 HH TYR A 86 -24.584 -5.408 -6.608 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.645 -1.574 -14.618 1.00 0.24 N ATOM 1391 CA LEU A 87 -23.160 -1.107 -15.924 1.00 0.23 C ATOM 1392 C LEU A 87 -21.638 -1.065 -15.859 1.00 0.22 C ATOM 1393 O LEU A 87 -21.071 -0.365 -15.014 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.695 0.292 -16.277 1.00 0.26 C ATOM 1395 CG LEU A 87 -25.219 0.388 -16.179 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.699 1.724 -16.748 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.891 -0.770 -16.917 1.00 0.38 C ATOM 0 H LEU A 87 -23.636 -0.860 -13.890 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.514 -1.789 -16.697 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -23.246 1.027 -15.609 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -23.384 0.550 -17.289 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.497 0.327 -15.127 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.785 1.782 -16.673 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -25.252 2.542 -16.183 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -25.402 1.802 -17.794 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.974 -0.677 -16.831 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.607 -0.745 -17.969 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.572 -1.715 -16.478 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.986 -1.828 -16.725 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.526 -1.904 -16.753 1.00 0.19 C ATOM 1411 C PHE A 88 -18.974 -1.215 -17.997 1.00 0.20 C ATOM 1412 O PHE A 88 -19.422 -1.489 -19.105 1.00 0.27 O ATOM 1413 CB PHE A 88 -19.093 -3.365 -16.751 1.00 0.20 C ATOM 1414 CG PHE A 88 -19.160 -4.022 -15.388 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -18.130 -3.844 -14.475 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -20.261 -4.788 -15.044 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -18.207 -4.429 -13.223 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -20.337 -5.376 -13.793 1.00 0.25 C ATOM 1419 CZ PHE A 88 -19.254 -5.256 -12.907 1.00 0.22 C ATOM 0 H PHE A 88 -21.447 -2.409 -17.425 1.00 0.18 H new ATOM 0 HA PHE A 88 -19.135 -1.399 -15.870 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.724 -3.922 -17.444 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -18.072 -3.432 -17.126 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.269 -3.249 -14.741 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -21.063 -4.927 -15.754 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.438 -4.233 -12.491 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -21.222 -5.922 -13.501 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.246 -5.812 -11.981 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.990 -0.334 -17.808 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.362 0.389 -18.926 1.00 0.26 C ATOM 1431 C GLN A 89 -15.918 -0.073 -19.127 1.00 0.22 C ATOM 1432 O GLN A 89 -15.120 -0.074 -18.179 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.375 1.907 -18.671 1.00 0.32 C ATOM 1434 CG GLN A 89 -17.497 2.711 -19.977 1.00 0.52 C ATOM 1435 CD GLN A 89 -16.430 3.802 -20.034 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -16.633 4.907 -19.535 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -15.291 3.493 -20.633 1.00 1.63 N ATOM 0 H GLN A 89 -17.607 -0.101 -16.892 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.939 0.171 -19.825 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.207 2.157 -18.013 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.461 2.195 -18.152 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -17.390 2.044 -20.833 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -18.488 3.159 -20.044 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -15.162 2.564 -21.035 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -14.543 4.183 -20.693 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.591 -0.427 -20.371 1.00 0.22 N ATOM 1447 CA ALA A 90 -14.240 -0.860 -20.758 1.00 0.24 C ATOM 1448 C ALA A 90 -13.533 0.284 -21.495 1.00 0.27 C ATOM 1449 O ALA A 90 -14.185 1.223 -21.968 1.00 0.32 O ATOM 1450 CB ALA A 90 -14.320 -2.101 -21.654 1.00 0.29 C ATOM 0 H ALA A 90 -16.256 -0.423 -21.144 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.672 -1.117 -19.864 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -13.314 -2.413 -21.934 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.813 -2.909 -21.113 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.890 -1.865 -22.552 1.00 0.29 H new ATOM 1456 N LYS A 91 -12.204 0.219 -21.582 1.00 0.35 N ATOM 1457 CA LYS A 91 -11.425 1.271 -22.252 1.00 0.44 C ATOM 1458 C LYS A 91 -11.241 0.980 -23.747 1.00 0.49 C ATOM 1459 O LYS A 91 -11.158 1.906 -24.557 1.00 0.68 O ATOM 1460 CB LYS A 91 -10.061 1.443 -21.563 1.00 0.65 C ATOM 1461 CG LYS A 91 -9.077 0.320 -21.903 1.00 1.26 C ATOM 1462 CD LYS A 91 -7.883 0.329 -20.954 1.00 1.43 C ATOM 1463 CE LYS A 91 -7.128 1.660 -21.017 1.00 1.86 C ATOM 1464 NZ LYS A 91 -5.793 1.563 -20.366 1.00 2.29 N ATOM 0 H LYS A 91 -11.644 -0.544 -21.201 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.985 2.202 -22.169 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.629 2.400 -21.857 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -10.207 1.477 -20.483 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.585 -0.643 -21.844 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -8.730 0.435 -22.930 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -8.225 0.151 -19.935 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -7.207 -0.487 -21.210 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -7.005 1.961 -22.058 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -7.716 2.436 -20.528 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -5.309 2.482 -20.427 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -5.912 1.300 -19.367 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -5.223 0.839 -20.849 1.00 2.29 H new ATOM 1478 N ASP A 92 -11.172 -0.304 -24.104 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.986 -0.734 -25.501 1.00 0.66 C ATOM 1480 C ASP A 92 -12.031 -1.791 -25.873 1.00 0.59 C ATOM 1481 O ASP A 92 -12.522 -2.522 -25.007 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.565 -1.303 -25.684 1.00 0.84 C ATOM 1483 CG ASP A 92 -9.217 -1.463 -27.162 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -8.932 -0.445 -27.824 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -9.231 -2.606 -27.661 1.00 2.01 O ATOM 0 H ASP A 92 -11.243 -1.075 -23.440 1.00 0.49 H new ATOM 0 HA ASP A 92 -11.113 0.126 -26.159 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.842 -0.641 -25.208 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.491 -2.269 -25.184 1.00 0.84 H new ATOM 1490 N ASP A 93 -12.360 -1.876 -27.169 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.345 -2.856 -27.668 1.00 0.63 C ATOM 1492 C ASP A 93 -12.851 -4.288 -27.437 1.00 0.49 C ATOM 1493 O ASP A 93 -13.640 -5.177 -27.115 1.00 0.54 O ATOM 1494 CB ASP A 93 -13.683 -2.620 -29.159 1.00 0.83 C ATOM 1495 CG ASP A 93 -12.517 -2.951 -30.094 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -12.396 -4.120 -30.516 1.00 2.13 O ATOM 1497 OD2 ASP A 93 -11.735 -2.038 -30.419 1.00 2.21 O ATOM 0 H ASP A 93 -11.961 -1.280 -27.894 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.265 -2.715 -27.101 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -14.545 -3.229 -29.432 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -13.971 -1.578 -29.301 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.535 -4.496 -27.568 1.00 0.41 N ATOM 1503 CA GLU A 94 -10.926 -5.812 -27.339 1.00 0.41 C ATOM 1504 C GLU A 94 -11.107 -6.201 -25.864 1.00 0.36 C ATOM 1505 O GLU A 94 -11.412 -7.351 -25.543 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.435 -5.770 -27.716 1.00 0.49 C ATOM 1507 CG GLU A 94 -8.892 -7.163 -28.069 1.00 1.21 C ATOM 1508 CD GLU A 94 -8.484 -7.935 -26.817 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -8.042 -7.304 -25.837 1.00 2.43 O ATOM 1510 OE2 GLU A 94 -8.604 -9.177 -26.813 1.00 2.59 O ATOM 0 H GLU A 94 -10.871 -3.768 -27.832 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.413 -6.561 -27.963 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -9.294 -5.100 -28.564 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -8.862 -5.357 -26.885 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -9.652 -7.724 -28.613 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -8.033 -7.063 -28.733 1.00 1.21 H new ATOM 1517 N GLU A 95 -10.959 -5.209 -24.980 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.139 -5.392 -23.535 1.00 0.29 C ATOM 1519 C GLU A 95 -12.601 -5.730 -23.236 1.00 0.24 C ATOM 1520 O GLU A 95 -12.895 -6.691 -22.527 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.739 -4.109 -22.796 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.157 -4.412 -21.420 1.00 0.42 C ATOM 1523 CD GLU A 95 -9.938 -3.117 -20.652 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.847 -2.259 -20.651 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -8.853 -2.951 -20.059 1.00 1.30 O ATOM 0 H GLU A 95 -10.711 -4.256 -25.246 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.506 -6.211 -23.195 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -10.007 -3.560 -23.389 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.611 -3.463 -22.689 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -10.832 -5.064 -20.866 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.213 -4.947 -21.525 1.00 0.42 H new ATOM 1532 N MET A 96 -13.510 -4.933 -23.814 1.00 0.24 N ATOM 1533 CA MET A 96 -14.961 -5.126 -23.654 1.00 0.22 C ATOM 1534 C MET A 96 -15.357 -6.552 -24.059 1.00 0.22 C ATOM 1535 O MET A 96 -16.091 -7.229 -23.344 1.00 0.23 O ATOM 1536 CB MET A 96 -15.719 -4.101 -24.514 1.00 0.26 C ATOM 1537 CG MET A 96 -17.214 -4.063 -24.182 1.00 0.39 C ATOM 1538 SD MET A 96 -18.169 -3.159 -25.415 1.00 0.94 S ATOM 1539 CE MET A 96 -18.192 -4.340 -26.776 1.00 0.77 C ATOM 0 H MET A 96 -13.263 -4.138 -24.404 1.00 0.24 H new ATOM 0 HA MET A 96 -15.224 -4.978 -22.607 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.289 -3.111 -24.361 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.588 -4.346 -25.568 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.593 -5.082 -24.109 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.355 -3.599 -23.206 1.00 0.39 H new ATOM 0 HE1 MET A 96 -18.930 -4.029 -27.516 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.207 -4.379 -27.240 1.00 0.77 H new ATOM 0 HE3 MET A 96 -18.454 -5.328 -26.396 1.00 0.77 H new ATOM 1549 N ASN A 97 -14.832 -7.003 -25.201 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.095 -8.355 -25.710 1.00 0.28 C ATOM 1551 C ASN A 97 -14.573 -9.405 -24.723 1.00 0.26 C ATOM 1552 O ASN A 97 -15.307 -10.308 -24.328 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.421 -8.529 -27.080 1.00 0.35 C ATOM 1554 CG ASN A 97 -14.696 -9.923 -27.659 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -15.840 -10.274 -27.942 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -13.652 -10.723 -27.818 1.00 1.24 N ATOM 0 H ASN A 97 -14.217 -6.448 -25.796 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.171 -8.492 -25.821 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -14.788 -7.767 -27.768 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.346 -8.379 -26.981 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -13.783 -11.665 -28.186 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -12.717 -10.397 -27.572 1.00 1.24 H new ATOM 1563 N THR A 98 -13.305 -9.265 -24.322 1.00 0.25 N ATOM 1564 CA THR A 98 -12.664 -10.191 -23.372 1.00 0.27 C ATOM 1565 C THR A 98 -13.489 -10.325 -22.082 1.00 0.23 C ATOM 1566 O THR A 98 -13.684 -11.431 -21.580 1.00 0.27 O ATOM 1567 CB THR A 98 -11.238 -9.708 -23.046 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.517 -9.454 -24.247 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.479 -10.741 -22.207 1.00 0.39 C ATOM 0 H THR A 98 -12.695 -8.513 -24.642 1.00 0.25 H new ATOM 0 HA THR A 98 -12.611 -11.174 -23.839 1.00 0.27 H new ATOM 0 HB THR A 98 -11.325 -8.787 -22.469 1.00 0.31 H new ATOM 0 HG1 THR A 98 -10.643 -8.519 -24.513 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.476 -10.371 -21.994 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.010 -10.910 -21.270 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.410 -11.678 -22.759 1.00 0.39 H new ATOM 1577 N TRP A 99 -13.974 -9.198 -21.556 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.777 -9.194 -20.327 1.00 0.20 C ATOM 1579 C TRP A 99 -16.147 -9.854 -20.558 1.00 0.21 C ATOM 1580 O TRP A 99 -16.528 -10.769 -19.825 1.00 0.24 O ATOM 1581 CB TRP A 99 -14.951 -7.749 -19.820 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.747 -7.243 -19.069 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -12.942 -6.188 -19.412 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.206 -7.781 -17.842 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -11.959 -6.066 -18.472 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.088 -7.014 -17.509 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.561 -8.834 -16.999 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.331 -7.266 -16.380 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -12.807 -9.094 -15.864 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.700 -8.317 -15.558 1.00 0.29 C ATOM 0 H TRP A 99 -13.825 -8.274 -21.961 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.252 -9.776 -19.570 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.146 -7.093 -20.668 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.825 -7.700 -19.171 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.065 -5.558 -20.281 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.226 -5.357 -18.491 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.421 -9.445 -17.229 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.471 -6.657 -16.145 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.085 -9.909 -15.212 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.122 -8.533 -14.672 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.874 -9.392 -21.581 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.206 -9.928 -21.919 1.00 0.24 C ATOM 1603 C ILE A 100 -18.149 -11.441 -22.202 1.00 0.28 C ATOM 1604 O ILE A 100 -19.012 -12.200 -21.750 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.779 -9.173 -23.135 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.155 -7.738 -22.741 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.000 -9.896 -23.719 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.634 -6.932 -23.945 1.00 0.29 C ATOM 0 H ILE A 100 -16.562 -8.641 -22.197 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.862 -9.779 -21.061 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.006 -9.143 -23.903 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -19.938 -7.762 -21.983 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.292 -7.245 -22.293 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.379 -9.337 -24.575 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.711 -10.897 -24.039 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.778 -9.968 -22.959 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -19.891 -5.922 -23.627 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -18.841 -6.887 -24.691 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.512 -7.411 -24.377 1.00 0.29 H new ATOM 1620 N GLN A 101 -17.130 -11.875 -22.949 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.958 -13.294 -23.292 1.00 0.35 C ATOM 1622 C GLN A 101 -16.543 -14.118 -22.064 1.00 0.36 C ATOM 1623 O GLN A 101 -17.078 -15.201 -21.837 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.916 -13.444 -24.409 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.409 -12.801 -25.717 1.00 0.48 C ATOM 1626 CD GLN A 101 -16.307 -13.765 -26.900 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -16.564 -14.959 -26.768 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -15.948 -13.238 -28.063 1.00 1.76 N ATOM 0 H GLN A 101 -16.408 -11.263 -23.330 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.917 -13.676 -23.644 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -14.980 -12.978 -24.102 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.707 -14.501 -24.576 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -17.444 -12.482 -25.597 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -15.822 -11.907 -25.926 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -15.743 -12.241 -28.130 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -15.877 -13.830 -28.891 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.600 -13.596 -21.267 1.00 0.32 N ATOM 1638 CA ALA A 102 -15.121 -14.286 -20.055 1.00 0.37 C ATOM 1639 C ALA A 102 -16.260 -14.474 -19.048 1.00 0.38 C ATOM 1640 O ALA A 102 -16.381 -15.527 -18.421 1.00 0.48 O ATOM 1641 CB ALA A 102 -13.982 -13.493 -19.412 1.00 0.38 C ATOM 0 H ALA A 102 -15.151 -12.696 -21.438 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.752 -15.270 -20.346 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.637 -14.012 -18.518 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.158 -13.401 -20.120 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.339 -12.500 -19.140 1.00 0.38 H new ATOM 1647 N ILE A 103 -17.098 -13.445 -18.916 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.251 -13.470 -18.005 1.00 0.38 C ATOM 1649 C ILE A 103 -19.296 -14.485 -18.496 1.00 0.47 C ATOM 1650 O ILE A 103 -19.840 -15.255 -17.708 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.861 -12.058 -17.914 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -17.950 -11.135 -17.095 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.264 -12.081 -17.305 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.154 -9.669 -17.470 1.00 0.35 C ATOM 0 H ILE A 103 -17.000 -12.572 -19.434 1.00 0.33 H new ATOM 0 HA ILE A 103 -17.923 -13.778 -17.012 1.00 0.38 H new ATOM 0 HB ILE A 103 -18.946 -11.674 -18.931 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.153 -11.271 -16.033 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -16.908 -11.412 -17.259 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.657 -11.066 -17.259 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -20.919 -12.696 -17.922 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.217 -12.498 -16.299 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.492 -9.044 -16.870 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -17.926 -9.529 -18.527 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.190 -9.386 -17.282 1.00 0.35 H new ATOM 1666 N SER A 104 -19.564 -14.480 -19.806 1.00 0.53 N ATOM 1667 CA SER A 104 -20.539 -15.398 -20.419 1.00 0.66 C ATOM 1668 C SER A 104 -20.059 -16.860 -20.359 1.00 0.72 C ATOM 1669 O SER A 104 -20.869 -17.786 -20.408 1.00 0.89 O ATOM 1670 CB SER A 104 -20.787 -14.986 -21.874 1.00 0.81 C ATOM 1671 OG SER A 104 -21.311 -13.663 -21.938 1.00 1.05 O ATOM 0 H SER A 104 -19.117 -13.847 -20.469 1.00 0.53 H new ATOM 0 HA SER A 104 -21.468 -15.333 -19.853 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.855 -15.042 -22.437 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.484 -15.682 -22.341 1.00 0.81 H new ATOM 0 HG SER A 104 -20.573 -13.022 -22.007 1.00 1.05 H new ATOM 1677 N SER A 105 -18.741 -17.060 -20.248 1.00 0.80 N ATOM 1678 CA SER A 105 -18.150 -18.407 -20.175 1.00 1.13 C ATOM 1679 C SER A 105 -18.227 -18.990 -18.751 1.00 1.23 C ATOM 1680 O SER A 105 -17.788 -20.118 -18.519 1.00 1.61 O ATOM 1681 CB SER A 105 -16.688 -18.361 -20.643 1.00 1.48 C ATOM 1682 OG SER A 105 -16.596 -17.867 -21.978 1.00 1.63 O ATOM 0 H SER A 105 -18.058 -16.304 -20.206 1.00 0.80 H new ATOM 0 HA SER A 105 -18.727 -19.059 -20.831 1.00 1.13 H new ATOM 0 HB2 SER A 105 -16.108 -17.725 -19.975 1.00 1.48 H new ATOM 0 HB3 SER A 105 -16.253 -19.359 -20.590 1.00 1.48 H new ATOM 0 HG SER A 105 -16.733 -16.897 -21.978 1.00 1.63 H new ATOM 1688 N ALA A 106 -18.781 -18.228 -17.804 1.00 1.29 N ATOM 1689 CA ALA A 106 -18.910 -18.677 -16.414 1.00 1.59 C ATOM 1690 C ALA A 106 -20.138 -19.580 -16.250 1.00 2.40 C ATOM 1691 O ALA A 106 -21.246 -19.183 -16.681 1.00 3.00 O ATOM 1692 CB ALA A 106 -19.018 -17.465 -15.485 1.00 1.90 C ATOM 1693 OXT ALA A 106 -19.997 -20.687 -15.692 1.00 3.05 O ATOM 0 H ALA A 106 -19.149 -17.292 -17.976 1.00 1.29 H new ATOM 0 HA ALA A 106 -18.023 -19.253 -16.149 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -19.114 -17.804 -14.454 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -18.123 -16.850 -15.583 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -19.894 -16.876 -15.756 1.00 1.90 H new TER 1699 ALA A 106