USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 864 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 92 SER OG : rot 180:sc= -0.124 USER MOD Set 1.2: A 94 HIS : no HE2:sc= 0.0187 X(o=-0.11,f=-0.41) USER MOD Set 2.1: A 52 CYS SG : rot 178:sc= 1.16 USER MOD Set 2.2: A 62 CYS SG : rot 135:sc= 0.714 USER MOD Set 3.1: A 44 TYR OH : rot -66:sc= 1.1 USER MOD Set 3.2: A 83 HIS : no HE2:sc= -0.285! C(o=0.53!,f=-8.4!) USER MOD Set 3.3: A 98 MET CE :methyl 165:sc= -0.281 (180deg=-0.99) USER MOD Set 4.1: A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 20 MET CE :methyl -171:sc= -0.397 (180deg=-0.681) USER MOD Set 4.3: A 21 SER OG : rot 170:sc= -0.0424 USER MOD Set 5.1: A 8 LYS NZ :NH3+ 149:sc= -2.58! (180deg=-5.05!) USER MOD Set 5.2: A 11 GLN : amide:sc= -2.15! K(o=-4.7!,f=-8.8) USER MOD Set 5.3: A 19 TYR OH : rot -44:sc= 0.0629 USER MOD Set 6.1: A 5 GLN : amide:sc= -2.11 X(o=-9.4,f=-9.6!) USER MOD Set 6.2: A 9 ASN : amide:sc= -7.25! C(o=-9.4!,f=-4.6!) USER MOD Single : A 1 MET CE :methyl -168:sc= -0.063 (180deg=-0.325) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.042 (180deg=0) USER MOD Single : A 2 SER OG : rot -152:sc= 0.618 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 10 TYR OH : rot 169:sc= -0.309 USER MOD Single : A 12 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.12) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1.17! K(o=-1.2!,f=-0.017) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= -0.0764 USER MOD Single : A 32 GLN : amide:sc= -0.205 K(o=-0.21,f=-0.96) USER MOD Single : A 34 THR OG1 : rot 74:sc= 0.782 USER MOD Single : A 35 THR OG1 : rot 72:sc= 0.466 USER MOD Single : A 36 LYS NZ :NH3+ -111:sc= 1.27 (180deg=-0.313) USER MOD Single : A 39 THR OG1 : rot 160:sc= -0.301 USER MOD Single : A 43 TYR OH : rot 23:sc= -1.06! USER MOD Single : A 49 TYR OH : rot 130:sc= -0.488 USER MOD Single : A 54 ASN : amide:sc= -0.199 K(o=-0.2,f=-1.4) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 31:sc= 0.67 USER MOD Single : A 58 SER OG : rot -134:sc= 0.911 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 66 THR OG1 : rot 141:sc= -0.577 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0322) USER MOD Single : A 85 LYS NZ :NH3+ -167:sc= 0.574 (180deg=-0.0827) USER MOD Single : A 88 CYS SG : rot 71:sc= -1.45! USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc=-0.00501 X(o=-0.005,f=-0.006) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 111 HIS : no HD1:sc= -0.877 X(o=-0.88,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.875 -3.945 1.929 1.00 22.22 N ATOM 2 CA MET A 1 -6.430 -4.137 2.244 1.00 1.43 C ATOM 3 C MET A 1 -5.534 -3.728 1.065 1.00 74.42 C ATOM 4 O MET A 1 -5.960 -2.997 0.172 1.00 70.31 O ATOM 5 CB MET A 1 -6.137 -5.597 2.632 1.00 34.22 C ATOM 6 CG MET A 1 -6.703 -6.014 3.982 1.00 45.50 C ATOM 7 SD MET A 1 -6.053 -7.599 4.547 1.00 61.31 S ATOM 8 CE MET A 1 -6.500 -8.670 3.183 1.00 45.33 C ATOM 0 H1 MET A 1 -8.271 -3.212 2.551 1.00 22.22 H new ATOM 0 H2 MET A 1 -7.978 -3.651 0.937 1.00 22.22 H new ATOM 0 H3 MET A 1 -8.385 -4.839 2.079 1.00 22.22 H new ATOM 0 HA MET A 1 -6.202 -3.491 3.092 1.00 1.43 H new ATOM 0 HB2 MET A 1 -6.544 -6.253 1.863 1.00 34.22 H new ATOM 0 HB3 MET A 1 -5.058 -5.748 2.642 1.00 34.22 H new ATOM 0 HG2 MET A 1 -6.473 -5.247 4.721 1.00 45.50 H new ATOM 0 HG3 MET A 1 -7.789 -6.075 3.913 1.00 45.50 H new ATOM 0 HE1 MET A 1 -6.358 -9.710 3.476 1.00 45.33 H new ATOM 0 HE2 MET A 1 -7.545 -8.507 2.920 1.00 45.33 H new ATOM 0 HE3 MET A 1 -5.870 -8.446 2.323 1.00 45.33 H new ATOM 20 N SER A 2 -4.289 -4.212 1.081 1.00 75.42 N ATOM 21 CA SER A 2 -3.286 -3.873 0.060 1.00 0.34 C ATOM 22 C SER A 2 -3.779 -4.125 -1.372 1.00 61.40 C ATOM 23 O SER A 2 -4.145 -5.248 -1.744 1.00 2.13 O ATOM 24 CB SER A 2 -2.006 -4.679 0.298 1.00 54.12 C ATOM 25 OG SER A 2 -2.259 -6.075 0.221 1.00 4.10 O ATOM 0 H SER A 2 -3.945 -4.849 1.800 1.00 75.42 H new ATOM 0 HA SER A 2 -3.092 -2.805 0.156 1.00 0.34 H new ATOM 0 HB2 SER A 2 -1.255 -4.401 -0.441 1.00 54.12 H new ATOM 0 HB3 SER A 2 -1.595 -4.434 1.277 1.00 54.12 H new ATOM 0 HG SER A 2 -1.611 -6.556 0.777 1.00 4.10 H new ATOM 31 N TRP A 3 -3.754 -3.071 -2.180 1.00 15.43 N ATOM 32 CA TRP A 3 -4.167 -3.155 -3.582 1.00 41.31 C ATOM 33 C TRP A 3 -3.258 -4.091 -4.393 1.00 65.54 C ATOM 34 O TRP A 3 -3.663 -4.601 -5.427 1.00 42.13 O ATOM 35 CB TRP A 3 -4.190 -1.760 -4.221 1.00 12.54 C ATOM 36 CG TRP A 3 -5.224 -0.852 -3.621 1.00 23.44 C ATOM 37 CD1 TRP A 3 -6.510 -0.681 -4.049 1.00 73.32 C ATOM 38 CD2 TRP A 3 -5.061 0.006 -2.484 1.00 75.03 C ATOM 39 NE1 TRP A 3 -7.156 0.225 -3.247 1.00 10.12 N ATOM 40 CE2 TRP A 3 -6.288 0.664 -2.279 1.00 12.02 C ATOM 41 CE3 TRP A 3 -3.997 0.280 -1.620 1.00 64.15 C ATOM 42 CZ2 TRP A 3 -6.478 1.579 -1.246 1.00 62.13 C ATOM 43 CZ3 TRP A 3 -4.186 1.186 -0.596 1.00 42.43 C ATOM 44 CH2 TRP A 3 -5.418 1.826 -0.416 1.00 22.05 C ATOM 0 H TRP A 3 -3.451 -2.142 -1.889 1.00 15.43 H new ATOM 0 HA TRP A 3 -5.173 -3.574 -3.598 1.00 41.31 H new ATOM 0 HB2 TRP A 3 -3.207 -1.302 -4.113 1.00 12.54 H new ATOM 0 HB3 TRP A 3 -4.380 -1.860 -5.290 1.00 12.54 H new ATOM 0 HD1 TRP A 3 -6.953 -1.185 -4.895 1.00 73.32 H new ATOM 0 HE1 TRP A 3 -8.125 0.524 -3.353 1.00 10.12 H new ATOM 0 HE3 TRP A 3 -3.043 -0.209 -1.751 1.00 64.15 H new ATOM 0 HZ2 TRP A 3 -7.427 2.075 -1.105 1.00 62.13 H new ATOM 0 HZ3 TRP A 3 -3.370 1.405 0.077 1.00 42.43 H new ATOM 0 HH2 TRP A 3 -5.535 2.530 0.395 1.00 22.05 H new ATOM 55 N MET A 4 -2.036 -4.318 -3.911 1.00 5.12 N ATOM 56 CA MET A 4 -1.086 -5.220 -4.586 1.00 42.13 C ATOM 57 C MET A 4 -1.686 -6.629 -4.775 1.00 63.10 C ATOM 58 O MET A 4 -1.915 -7.078 -5.903 1.00 22.32 O ATOM 59 CB MET A 4 0.216 -5.308 -3.778 1.00 51.11 C ATOM 60 CG MET A 4 0.841 -3.954 -3.464 1.00 23.24 C ATOM 61 SD MET A 4 2.337 -4.098 -2.468 1.00 42.30 S ATOM 62 CE MET A 4 2.702 -2.371 -2.144 1.00 52.44 C ATOM 0 H MET A 4 -1.675 -3.893 -3.057 1.00 5.12 H new ATOM 0 HA MET A 4 -0.874 -4.810 -5.573 1.00 42.13 H new ATOM 0 HB2 MET A 4 0.017 -5.831 -2.843 1.00 51.11 H new ATOM 0 HB3 MET A 4 0.936 -5.910 -4.332 1.00 51.11 H new ATOM 0 HG2 MET A 4 1.077 -3.442 -4.397 1.00 23.24 H new ATOM 0 HG3 MET A 4 0.115 -3.336 -2.936 1.00 23.24 H new ATOM 0 HE1 MET A 4 3.604 -2.298 -1.536 1.00 52.44 H new ATOM 0 HE2 MET A 4 2.857 -1.849 -3.088 1.00 52.44 H new ATOM 0 HE3 MET A 4 1.867 -1.916 -1.611 1.00 52.44 H new ATOM 72 N GLN A 5 -1.947 -7.319 -3.665 1.00 13.33 N ATOM 73 CA GLN A 5 -2.573 -8.646 -3.712 1.00 24.41 C ATOM 74 C GLN A 5 -3.972 -8.569 -4.345 1.00 54.43 C ATOM 75 O GLN A 5 -4.389 -9.480 -5.076 1.00 65.22 O ATOM 76 CB GLN A 5 -2.647 -9.253 -2.298 1.00 41.31 C ATOM 77 CG GLN A 5 -3.318 -10.627 -2.226 1.00 41.42 C ATOM 78 CD GLN A 5 -2.628 -11.686 -3.078 1.00 33.12 C ATOM 79 OE1 GLN A 5 -1.717 -12.369 -2.630 1.00 12.22 O ATOM 80 NE2 GLN A 5 -3.064 -11.840 -4.312 1.00 3.33 N ATOM 0 H GLN A 5 -1.737 -6.985 -2.724 1.00 13.33 H new ATOM 0 HA GLN A 5 -1.957 -9.295 -4.335 1.00 24.41 H new ATOM 0 HB2 GLN A 5 -1.636 -9.336 -1.900 1.00 41.31 H new ATOM 0 HB3 GLN A 5 -3.189 -8.565 -1.650 1.00 41.31 H new ATOM 0 HG2 GLN A 5 -3.334 -10.961 -1.188 1.00 41.42 H new ATOM 0 HG3 GLN A 5 -4.355 -10.533 -2.547 1.00 41.42 H new ATOM 0 HE21 GLN A 5 -3.825 -11.257 -4.660 1.00 3.33 H new ATOM 0 HE22 GLN A 5 -2.640 -12.542 -4.919 1.00 3.33 H new ATOM 89 N ASN A 6 -4.687 -7.473 -4.078 1.00 2.44 N ATOM 90 CA ASN A 6 -6.004 -7.251 -4.683 1.00 31.02 C ATOM 91 C ASN A 6 -5.922 -7.284 -6.223 1.00 42.42 C ATOM 92 O ASN A 6 -6.763 -7.897 -6.878 1.00 12.24 O ATOM 93 CB ASN A 6 -6.587 -5.917 -4.205 1.00 11.13 C ATOM 94 CG ASN A 6 -8.008 -5.695 -4.690 1.00 73.24 C ATOM 95 OD1 ASN A 6 -8.238 -5.123 -5.750 1.00 4.33 O ATOM 96 ND2 ASN A 6 -8.974 -6.162 -3.927 1.00 74.32 N ATOM 0 H ASN A 6 -4.379 -6.730 -3.451 1.00 2.44 H new ATOM 0 HA ASN A 6 -6.664 -8.058 -4.366 1.00 31.02 H new ATOM 0 HB2 ASN A 6 -6.570 -5.886 -3.116 1.00 11.13 H new ATOM 0 HB3 ASN A 6 -5.955 -5.101 -4.557 1.00 11.13 H new ATOM 0 HD21 ASN A 6 -9.947 -6.053 -4.212 1.00 74.32 H new ATOM 0 HD22 ASN A 6 -8.749 -6.633 -3.051 1.00 74.32 H new ATOM 103 N LEU A 7 -4.894 -6.640 -6.792 1.00 24.10 N ATOM 104 CA LEU A 7 -4.677 -6.646 -8.251 1.00 50.32 C ATOM 105 C LEU A 7 -4.388 -8.063 -8.763 1.00 3.15 C ATOM 106 O LEU A 7 -4.902 -8.475 -9.803 1.00 1.02 O ATOM 107 CB LEU A 7 -3.521 -5.709 -8.644 1.00 54.33 C ATOM 108 CG LEU A 7 -3.761 -4.209 -8.397 1.00 60.12 C ATOM 109 CD1 LEU A 7 -2.537 -3.393 -8.803 1.00 61.25 C ATOM 110 CD2 LEU A 7 -5.001 -3.725 -9.144 1.00 34.02 C ATOM 0 H LEU A 7 -4.199 -6.108 -6.268 1.00 24.10 H new ATOM 0 HA LEU A 7 -5.595 -6.286 -8.715 1.00 50.32 H new ATOM 0 HB2 LEU A 7 -2.630 -6.011 -8.093 1.00 54.33 H new ATOM 0 HB3 LEU A 7 -3.305 -5.854 -9.703 1.00 54.33 H new ATOM 0 HG LEU A 7 -3.931 -4.066 -7.330 1.00 60.12 H new ATOM 0 HD11 LEU A 7 -2.728 -2.335 -8.620 1.00 61.25 H new ATOM 0 HD12 LEU A 7 -1.676 -3.713 -8.217 1.00 61.25 H new ATOM 0 HD13 LEU A 7 -2.332 -3.547 -9.862 1.00 61.25 H new ATOM 0 HD21 LEU A 7 -5.149 -2.662 -8.953 1.00 34.02 H new ATOM 0 HD22 LEU A 7 -4.868 -3.887 -10.214 1.00 34.02 H new ATOM 0 HD23 LEU A 7 -5.873 -4.280 -8.799 1.00 34.02 H new ATOM 122 N LYS A 8 -3.567 -8.810 -8.022 1.00 11.31 N ATOM 123 CA LYS A 8 -3.271 -10.208 -8.367 1.00 43.31 C ATOM 124 C LYS A 8 -4.563 -11.040 -8.477 1.00 55.44 C ATOM 125 O LYS A 8 -4.643 -11.972 -9.275 1.00 51.11 O ATOM 126 CB LYS A 8 -2.318 -10.819 -7.326 1.00 35.42 C ATOM 127 CG LYS A 8 -1.991 -12.306 -7.526 1.00 55.02 C ATOM 128 CD LYS A 8 -0.858 -12.569 -8.535 1.00 1.41 C ATOM 129 CE LYS A 8 -1.309 -12.504 -10.000 1.00 2.20 C ATOM 130 NZ LYS A 8 -1.086 -11.167 -10.608 1.00 12.23 N ATOM 0 H LYS A 8 -3.095 -8.475 -7.182 1.00 11.31 H new ATOM 0 HA LYS A 8 -2.783 -10.224 -9.342 1.00 43.31 H new ATOM 0 HB2 LYS A 8 -1.386 -10.255 -7.336 1.00 35.42 H new ATOM 0 HB3 LYS A 8 -2.757 -10.691 -6.337 1.00 35.42 H new ATOM 0 HG2 LYS A 8 -1.715 -12.739 -6.565 1.00 55.02 H new ATOM 0 HG3 LYS A 8 -2.890 -12.823 -7.862 1.00 55.02 H new ATOM 0 HD2 LYS A 8 -0.065 -11.839 -8.376 1.00 1.41 H new ATOM 0 HD3 LYS A 8 -0.430 -13.552 -8.339 1.00 1.41 H new ATOM 0 HE2 LYS A 8 -0.769 -13.256 -10.576 1.00 2.20 H new ATOM 0 HE3 LYS A 8 -2.368 -12.755 -10.062 1.00 2.20 H new ATOM 0 HZ1 LYS A 8 -0.893 -11.276 -11.624 1.00 12.23 H new ATOM 0 HZ2 LYS A 8 -1.935 -10.580 -10.477 1.00 12.23 H new ATOM 0 HZ3 LYS A 8 -0.274 -10.708 -10.149 1.00 12.23 H new ATOM 144 N ASN A 9 -5.569 -10.701 -7.665 1.00 44.32 N ATOM 145 CA ASN A 9 -6.898 -11.335 -7.763 1.00 45.32 C ATOM 146 C ASN A 9 -7.749 -10.657 -8.854 1.00 52.44 C ATOM 147 O ASN A 9 -8.560 -11.297 -9.526 1.00 71.33 O ATOM 148 CB ASN A 9 -7.621 -11.269 -6.411 1.00 33.23 C ATOM 149 CG ASN A 9 -6.966 -12.133 -5.339 1.00 55.41 C ATOM 150 OD1 ASN A 9 -7.633 -12.640 -4.448 1.00 71.41 O ATOM 151 ND2 ASN A 9 -5.660 -12.311 -5.411 1.00 22.04 N ATOM 0 H ASN A 9 -5.494 -9.994 -6.933 1.00 44.32 H new ATOM 0 HA ASN A 9 -6.757 -12.381 -8.037 1.00 45.32 H new ATOM 0 HB2 ASN A 9 -7.646 -10.234 -6.070 1.00 33.23 H new ATOM 0 HB3 ASN A 9 -8.655 -11.587 -6.543 1.00 33.23 H new ATOM 0 HD21 ASN A 9 -5.184 -12.883 -4.713 1.00 22.04 H new ATOM 0 HD22 ASN A 9 -5.127 -11.877 -6.164 1.00 22.04 H new ATOM 158 N TYR A 10 -7.531 -9.359 -9.031 1.00 31.31 N ATOM 159 CA TYR A 10 -8.186 -8.555 -10.076 1.00 62.12 C ATOM 160 C TYR A 10 -7.506 -8.789 -11.454 1.00 42.14 C ATOM 161 O TYR A 10 -7.449 -7.915 -12.314 1.00 32.11 O ATOM 162 CB TYR A 10 -8.135 -7.072 -9.622 1.00 34.43 C ATOM 163 CG TYR A 10 -8.354 -6.022 -10.700 1.00 73.23 C ATOM 164 CD1 TYR A 10 -9.612 -5.781 -11.241 1.00 65.45 C ATOM 165 CD2 TYR A 10 -7.284 -5.269 -11.173 1.00 65.43 C ATOM 166 CE1 TYR A 10 -9.792 -4.821 -12.222 1.00 25.14 C ATOM 167 CE2 TYR A 10 -7.457 -4.313 -12.146 1.00 35.31 C ATOM 168 CZ TYR A 10 -8.708 -4.091 -12.669 1.00 10.13 C ATOM 169 OH TYR A 10 -8.873 -3.132 -13.644 1.00 20.10 O ATOM 0 H TYR A 10 -6.888 -8.822 -8.450 1.00 31.31 H new ATOM 0 HA TYR A 10 -9.227 -8.850 -10.208 1.00 62.12 H new ATOM 0 HB2 TYR A 10 -8.888 -6.927 -8.847 1.00 34.43 H new ATOM 0 HB3 TYR A 10 -7.164 -6.890 -9.161 1.00 34.43 H new ATOM 0 HD1 TYR A 10 -10.460 -6.351 -10.891 1.00 65.45 H new ATOM 0 HD2 TYR A 10 -6.297 -5.439 -10.768 1.00 65.43 H new ATOM 0 HE1 TYR A 10 -10.774 -4.644 -12.635 1.00 25.14 H new ATOM 0 HE2 TYR A 10 -6.613 -3.739 -12.498 1.00 35.31 H new ATOM 0 HH TYR A 10 -8.056 -2.595 -13.716 1.00 20.10 H new ATOM 179 N GLN A 11 -7.065 -10.024 -11.692 1.00 65.40 N ATOM 180 CA GLN A 11 -6.285 -10.358 -12.893 1.00 51.53 C ATOM 181 C GLN A 11 -7.173 -10.451 -14.157 1.00 11.15 C ATOM 182 O GLN A 11 -6.832 -11.131 -15.127 1.00 64.51 O ATOM 183 CB GLN A 11 -5.529 -11.677 -12.660 1.00 73.44 C ATOM 184 CG GLN A 11 -4.275 -11.847 -13.523 1.00 31.14 C ATOM 185 CD GLN A 11 -3.069 -11.037 -13.037 1.00 13.14 C ATOM 186 OE1 GLN A 11 -1.930 -11.453 -13.205 1.00 72.40 O ATOM 187 NE2 GLN A 11 -3.294 -9.884 -12.427 1.00 30.32 N ATOM 0 H GLN A 11 -7.233 -10.815 -11.070 1.00 65.40 H new ATOM 0 HA GLN A 11 -5.571 -9.553 -13.069 1.00 51.53 H new ATOM 0 HB2 GLN A 11 -5.244 -11.738 -11.610 1.00 73.44 H new ATOM 0 HB3 GLN A 11 -6.205 -12.509 -12.855 1.00 73.44 H new ATOM 0 HG2 GLN A 11 -4.004 -12.903 -13.548 1.00 31.14 H new ATOM 0 HG3 GLN A 11 -4.508 -11.553 -14.546 1.00 31.14 H new ATOM 0 HE21 GLN A 11 -4.250 -9.554 -12.296 1.00 30.32 H new ATOM 0 HE22 GLN A 11 -2.511 -9.325 -12.088 1.00 30.32 H new ATOM 196 N HIS A 12 -8.304 -9.746 -14.141 1.00 72.11 N ATOM 197 CA HIS A 12 -9.199 -9.667 -15.298 1.00 4.23 C ATOM 198 C HIS A 12 -8.726 -8.586 -16.289 1.00 41.42 C ATOM 199 O HIS A 12 -9.199 -8.520 -17.424 1.00 4.55 O ATOM 200 CB HIS A 12 -10.632 -9.359 -14.829 1.00 71.13 C ATOM 201 CG HIS A 12 -11.621 -9.208 -15.948 1.00 30.53 C ATOM 202 ND1 HIS A 12 -12.062 -7.984 -16.399 1.00 60.42 N ATOM 203 CD2 HIS A 12 -12.248 -10.132 -16.716 1.00 45.30 C ATOM 204 CE1 HIS A 12 -12.909 -8.158 -17.391 1.00 74.51 C ATOM 205 NE2 HIS A 12 -13.041 -9.450 -17.605 1.00 21.00 N ATOM 0 H HIS A 12 -8.625 -9.216 -13.331 1.00 72.11 H new ATOM 0 HA HIS A 12 -9.184 -10.629 -15.810 1.00 4.23 H new ATOM 0 HB2 HIS A 12 -10.967 -10.158 -14.167 1.00 71.13 H new ATOM 0 HB3 HIS A 12 -10.622 -8.441 -14.241 1.00 71.13 H new ATOM 0 HD2 HIS A 12 -12.143 -11.204 -16.642 1.00 45.30 H new ATOM 0 HE1 HIS A 12 -13.411 -7.373 -17.937 1.00 74.51 H new ATOM 0 HE2 HIS A 12 -13.636 -9.875 -18.316 1.00 21.00 H new ATOM 214 N LEU A 13 -7.787 -7.745 -15.855 1.00 3.44 N ATOM 215 CA LEU A 13 -7.297 -6.639 -16.686 1.00 65.05 C ATOM 216 C LEU A 13 -5.772 -6.477 -16.557 1.00 12.41 C ATOM 217 O LEU A 13 -5.165 -6.948 -15.595 1.00 4.25 O ATOM 218 CB LEU A 13 -8.015 -5.332 -16.304 1.00 61.11 C ATOM 219 CG LEU A 13 -7.842 -4.174 -17.300 1.00 54.22 C ATOM 220 CD1 LEU A 13 -8.377 -4.563 -18.677 1.00 22.42 C ATOM 221 CD2 LEU A 13 -8.535 -2.912 -16.791 1.00 50.23 C ATOM 0 H LEU A 13 -7.350 -7.806 -14.935 1.00 3.44 H new ATOM 0 HA LEU A 13 -7.518 -6.872 -17.728 1.00 65.05 H new ATOM 0 HB2 LEU A 13 -9.079 -5.540 -16.195 1.00 61.11 H new ATOM 0 HB3 LEU A 13 -7.651 -5.008 -15.329 1.00 61.11 H new ATOM 0 HG LEU A 13 -6.777 -3.963 -17.393 1.00 54.22 H new ATOM 0 HD11 LEU A 13 -8.245 -3.730 -19.367 1.00 22.42 H new ATOM 0 HD12 LEU A 13 -7.831 -5.431 -19.047 1.00 22.42 H new ATOM 0 HD13 LEU A 13 -9.437 -4.806 -18.600 1.00 22.42 H new ATOM 0 HD21 LEU A 13 -8.399 -2.106 -17.512 1.00 50.23 H new ATOM 0 HD22 LEU A 13 -9.599 -3.108 -16.662 1.00 50.23 H new ATOM 0 HD23 LEU A 13 -8.102 -2.620 -15.834 1.00 50.23 H new ATOM 233 N ARG A 14 -5.160 -5.801 -17.526 1.00 64.22 N ATOM 234 CA ARG A 14 -3.699 -5.693 -17.597 1.00 11.42 C ATOM 235 C ARG A 14 -3.173 -4.467 -16.828 1.00 40.32 C ATOM 236 O ARG A 14 -2.680 -3.508 -17.426 1.00 1.32 O ATOM 237 CB ARG A 14 -3.275 -5.618 -19.069 1.00 64.44 C ATOM 238 CG ARG A 14 -3.857 -6.738 -19.928 1.00 21.23 C ATOM 239 CD ARG A 14 -3.845 -6.376 -21.408 1.00 12.35 C ATOM 240 NE ARG A 14 -4.598 -5.146 -21.671 1.00 64.14 N ATOM 241 CZ ARG A 14 -5.061 -4.804 -22.842 1.00 4.21 C ATOM 242 NH1 ARG A 14 -4.884 -5.568 -23.871 1.00 11.13 N ATOM 243 NH2 ARG A 14 -5.703 -3.691 -22.979 1.00 23.44 N ATOM 0 H ARG A 14 -5.652 -5.317 -18.277 1.00 64.22 H new ATOM 0 HA ARG A 14 -3.266 -6.576 -17.126 1.00 11.42 H new ATOM 0 HB2 ARG A 14 -3.585 -4.657 -19.480 1.00 64.44 H new ATOM 0 HB3 ARG A 14 -2.187 -5.654 -19.128 1.00 64.44 H new ATOM 0 HG2 ARG A 14 -3.284 -7.652 -19.772 1.00 21.23 H new ATOM 0 HG3 ARG A 14 -4.879 -6.945 -19.612 1.00 21.23 H new ATOM 0 HD2 ARG A 14 -2.816 -6.251 -21.744 1.00 12.35 H new ATOM 0 HD3 ARG A 14 -4.272 -7.195 -21.987 1.00 12.35 H new ATOM 0 HE ARG A 14 -4.771 -4.516 -20.887 1.00 64.14 H new ATOM 0 HH11 ARG A 14 -4.378 -6.448 -23.772 1.00 11.13 H new ATOM 0 HH12 ARG A 14 -5.250 -5.290 -24.781 1.00 11.13 H new ATOM 0 HH21 ARG A 14 -5.847 -3.083 -22.173 1.00 23.44 H new ATOM 0 HH22 ARG A 14 -6.066 -3.421 -23.893 1.00 23.44 H new ATOM 257 N ASP A 15 -3.307 -4.496 -15.504 1.00 23.44 N ATOM 258 CA ASP A 15 -2.731 -3.458 -14.640 1.00 11.43 C ATOM 259 C ASP A 15 -1.395 -3.936 -14.029 1.00 53.44 C ATOM 260 O ASP A 15 -1.379 -4.711 -13.072 1.00 3.25 O ATOM 261 CB ASP A 15 -3.725 -3.074 -13.535 1.00 4.34 C ATOM 262 CG ASP A 15 -4.905 -2.277 -14.069 1.00 35.35 C ATOM 263 OD1 ASP A 15 -5.907 -2.883 -14.497 1.00 14.20 O ATOM 264 OD2 ASP A 15 -4.835 -1.027 -14.066 1.00 33.24 O ATOM 0 H ASP A 15 -3.810 -5.227 -15.001 1.00 23.44 H new ATOM 0 HA ASP A 15 -2.529 -2.575 -15.247 1.00 11.43 H new ATOM 0 HB2 ASP A 15 -4.091 -3.978 -13.049 1.00 4.34 H new ATOM 0 HB3 ASP A 15 -3.209 -2.489 -12.773 1.00 4.34 H new ATOM 269 N PRO A 16 -0.251 -3.463 -14.568 1.00 52.41 N ATOM 270 CA PRO A 16 1.082 -3.943 -14.161 1.00 24.23 C ATOM 271 C PRO A 16 1.571 -3.355 -12.825 1.00 43.53 C ATOM 272 O PRO A 16 2.662 -3.691 -12.355 1.00 0.20 O ATOM 273 CB PRO A 16 1.971 -3.472 -15.317 1.00 31.12 C ATOM 274 CG PRO A 16 1.322 -2.216 -15.795 1.00 40.52 C ATOM 275 CD PRO A 16 -0.164 -2.419 -15.614 1.00 73.20 C ATOM 0 HA PRO A 16 1.089 -5.019 -13.989 1.00 24.23 H new ATOM 0 HB2 PRO A 16 2.993 -3.290 -14.984 1.00 31.12 H new ATOM 0 HB3 PRO A 16 2.022 -4.219 -16.109 1.00 31.12 H new ATOM 0 HG2 PRO A 16 1.670 -1.355 -15.224 1.00 40.52 H new ATOM 0 HG3 PRO A 16 1.565 -2.025 -16.840 1.00 40.52 H new ATOM 0 HD2 PRO A 16 -0.659 -1.499 -15.303 1.00 73.20 H new ATOM 0 HD3 PRO A 16 -0.640 -2.740 -16.541 1.00 73.20 H new ATOM 283 N SER A 17 0.757 -2.493 -12.214 1.00 42.04 N ATOM 284 CA SER A 17 1.118 -1.839 -10.944 1.00 44.31 C ATOM 285 C SER A 17 1.537 -2.856 -9.870 1.00 4.55 C ATOM 286 O SER A 17 2.498 -2.627 -9.126 1.00 64.23 O ATOM 287 CB SER A 17 -0.049 -0.983 -10.428 1.00 63.01 C ATOM 288 OG SER A 17 -0.373 0.059 -11.343 1.00 73.10 O ATOM 0 H SER A 17 -0.159 -2.228 -12.575 1.00 42.04 H new ATOM 0 HA SER A 17 1.975 -1.197 -11.146 1.00 44.31 H new ATOM 0 HB2 SER A 17 -0.923 -1.615 -10.269 1.00 63.01 H new ATOM 0 HB3 SER A 17 0.213 -0.552 -9.462 1.00 63.01 H new ATOM 0 HG SER A 17 -1.120 0.585 -10.988 1.00 73.10 H new ATOM 294 N GLU A 18 0.828 -3.988 -9.796 1.00 53.44 N ATOM 295 CA GLU A 18 1.194 -5.052 -8.853 1.00 33.03 C ATOM 296 C GLU A 18 2.614 -5.567 -9.138 1.00 61.45 C ATOM 297 O GLU A 18 3.417 -5.720 -8.224 1.00 25.35 O ATOM 298 CB GLU A 18 0.197 -6.224 -8.906 1.00 42.33 C ATOM 299 CG GLU A 18 0.121 -6.919 -10.262 1.00 32.21 C ATOM 300 CD GLU A 18 -0.408 -8.340 -10.168 1.00 3.44 C ATOM 301 OE1 GLU A 18 0.333 -9.223 -9.678 1.00 0.52 O ATOM 302 OE2 GLU A 18 -1.550 -8.591 -10.598 1.00 13.23 O ATOM 0 H GLU A 18 0.009 -4.190 -10.369 1.00 53.44 H new ATOM 0 HA GLU A 18 1.163 -4.621 -7.852 1.00 33.03 H new ATOM 0 HB2 GLU A 18 0.475 -6.958 -8.149 1.00 42.33 H new ATOM 0 HB3 GLU A 18 -0.794 -5.855 -8.643 1.00 42.33 H new ATOM 0 HG2 GLU A 18 -0.521 -6.340 -10.926 1.00 32.21 H new ATOM 0 HG3 GLU A 18 1.113 -6.935 -10.713 1.00 32.21 H new ATOM 309 N TYR A 19 2.919 -5.806 -10.419 1.00 11.43 N ATOM 310 CA TYR A 19 4.240 -6.294 -10.834 1.00 15.22 C ATOM 311 C TYR A 19 5.355 -5.334 -10.386 1.00 50.14 C ATOM 312 O TYR A 19 6.443 -5.766 -10.003 1.00 2.04 O ATOM 313 CB TYR A 19 4.291 -6.482 -12.362 1.00 14.33 C ATOM 314 CG TYR A 19 3.393 -7.591 -12.890 1.00 4.35 C ATOM 315 CD1 TYR A 19 2.027 -7.389 -13.053 1.00 64.01 C ATOM 316 CD2 TYR A 19 3.913 -8.839 -13.228 1.00 24.54 C ATOM 317 CE1 TYR A 19 1.207 -8.394 -13.529 1.00 41.53 C ATOM 318 CE2 TYR A 19 3.097 -9.847 -13.707 1.00 75.15 C ATOM 319 CZ TYR A 19 1.746 -9.620 -13.854 1.00 61.54 C ATOM 320 OH TYR A 19 0.929 -10.624 -14.323 1.00 64.35 O ATOM 0 H TYR A 19 2.265 -5.669 -11.190 1.00 11.43 H new ATOM 0 HA TYR A 19 4.404 -7.258 -10.351 1.00 15.22 H new ATOM 0 HB2 TYR A 19 4.009 -5.544 -12.841 1.00 14.33 H new ATOM 0 HB3 TYR A 19 5.319 -6.693 -12.656 1.00 14.33 H new ATOM 0 HD1 TYR A 19 1.599 -6.429 -12.803 1.00 64.01 H new ATOM 0 HD2 TYR A 19 4.971 -9.022 -13.114 1.00 24.54 H new ATOM 0 HE1 TYR A 19 0.148 -8.219 -13.646 1.00 41.53 H new ATOM 0 HE2 TYR A 19 3.517 -10.808 -13.965 1.00 75.15 H new ATOM 0 HH TYR A 19 0.116 -10.665 -13.778 1.00 64.35 H new ATOM 330 N MET A 20 5.069 -4.031 -10.429 1.00 15.32 N ATOM 331 CA MET A 20 6.025 -3.010 -9.981 1.00 21.31 C ATOM 332 C MET A 20 6.354 -3.175 -8.488 1.00 44.14 C ATOM 333 O MET A 20 7.522 -3.218 -8.101 1.00 30.43 O ATOM 334 CB MET A 20 5.465 -1.603 -10.263 1.00 23.35 C ATOM 335 CG MET A 20 6.440 -0.460 -9.977 1.00 0.42 C ATOM 336 SD MET A 20 6.729 -0.190 -8.214 1.00 24.02 S ATOM 337 CE MET A 20 5.096 0.314 -7.669 1.00 33.32 C ATOM 0 H MET A 20 4.184 -3.656 -10.769 1.00 15.32 H new ATOM 0 HA MET A 20 6.952 -3.138 -10.540 1.00 21.31 H new ATOM 0 HB2 MET A 20 5.161 -1.550 -11.308 1.00 23.35 H new ATOM 0 HB3 MET A 20 4.568 -1.456 -9.662 1.00 23.35 H new ATOM 0 HG2 MET A 20 7.391 -0.672 -10.465 1.00 0.42 H new ATOM 0 HG3 MET A 20 6.053 0.458 -10.419 1.00 0.42 H new ATOM 0 HE1 MET A 20 5.149 0.668 -6.640 1.00 33.32 H new ATOM 0 HE2 MET A 20 4.730 1.116 -8.310 1.00 33.32 H new ATOM 0 HE3 MET A 20 4.415 -0.535 -7.726 1.00 33.32 H new ATOM 347 N SER A 21 5.320 -3.278 -7.655 1.00 3.25 N ATOM 348 CA SER A 21 5.515 -3.465 -6.206 1.00 54.24 C ATOM 349 C SER A 21 5.961 -4.898 -5.869 1.00 33.15 C ATOM 350 O SER A 21 6.558 -5.144 -4.820 1.00 70.04 O ATOM 351 CB SER A 21 4.222 -3.140 -5.444 1.00 51.43 C ATOM 352 OG SER A 21 3.821 -1.792 -5.647 1.00 43.30 O ATOM 0 H SER A 21 4.344 -3.236 -7.948 1.00 3.25 H new ATOM 0 HA SER A 21 6.305 -2.780 -5.897 1.00 54.24 H new ATOM 0 HB2 SER A 21 3.427 -3.810 -5.772 1.00 51.43 H new ATOM 0 HB3 SER A 21 4.371 -3.320 -4.379 1.00 51.43 H new ATOM 0 HG SER A 21 2.919 -1.661 -5.286 1.00 43.30 H new ATOM 358 N GLN A 22 5.671 -5.833 -6.769 1.00 60.22 N ATOM 359 CA GLN A 22 5.946 -7.261 -6.551 1.00 24.41 C ATOM 360 C GLN A 22 7.413 -7.621 -6.860 1.00 51.11 C ATOM 361 O GLN A 22 8.010 -8.462 -6.188 1.00 75.01 O ATOM 362 CB GLN A 22 4.995 -8.086 -7.432 1.00 63.13 C ATOM 363 CG GLN A 22 5.004 -9.591 -7.169 1.00 23.04 C ATOM 364 CD GLN A 22 3.951 -10.332 -7.988 1.00 54.31 C ATOM 365 OE1 GLN A 22 4.123 -11.488 -8.351 1.00 43.14 O ATOM 366 NE2 GLN A 22 2.845 -9.670 -8.277 1.00 43.14 N ATOM 0 H GLN A 22 5.239 -5.629 -7.670 1.00 60.22 H new ATOM 0 HA GLN A 22 5.780 -7.490 -5.498 1.00 24.41 H new ATOM 0 HB2 GLN A 22 3.980 -7.715 -7.290 1.00 63.13 H new ATOM 0 HB3 GLN A 22 5.253 -7.915 -8.477 1.00 63.13 H new ATOM 0 HG2 GLN A 22 5.990 -9.992 -7.403 1.00 23.04 H new ATOM 0 HG3 GLN A 22 4.829 -9.773 -6.109 1.00 23.04 H new ATOM 0 HE21 GLN A 22 2.730 -8.707 -7.961 1.00 43.14 H new ATOM 0 HE22 GLN A 22 2.106 -10.122 -8.816 1.00 43.14 H new ATOM 375 N VAL A 23 7.989 -6.983 -7.882 1.00 42.24 N ATOM 376 CA VAL A 23 9.375 -7.261 -8.291 1.00 52.11 C ATOM 377 C VAL A 23 10.292 -6.036 -8.099 1.00 31.41 C ATOM 378 O VAL A 23 10.300 -5.115 -8.917 1.00 31.51 O ATOM 379 CB VAL A 23 9.442 -7.729 -9.770 1.00 45.24 C ATOM 380 CG1 VAL A 23 10.888 -7.947 -10.217 1.00 15.04 C ATOM 381 CG2 VAL A 23 8.618 -9.000 -9.970 1.00 63.10 C ATOM 0 H VAL A 23 7.521 -6.271 -8.443 1.00 42.24 H new ATOM 0 HA VAL A 23 9.732 -8.062 -7.644 1.00 52.11 H new ATOM 0 HB VAL A 23 9.016 -6.940 -10.390 1.00 45.24 H new ATOM 0 HG11 VAL A 23 10.902 -8.274 -11.257 1.00 15.04 H new ATOM 0 HG12 VAL A 23 11.443 -7.013 -10.123 1.00 15.04 H new ATOM 0 HG13 VAL A 23 11.352 -8.709 -9.591 1.00 15.04 H new ATOM 0 HG21 VAL A 23 8.678 -9.312 -11.013 1.00 63.10 H new ATOM 0 HG22 VAL A 23 9.010 -9.792 -9.331 1.00 63.10 H new ATOM 0 HG23 VAL A 23 7.578 -8.804 -9.709 1.00 63.10 H new ATOM 391 N TYR A 24 11.064 -6.035 -7.011 1.00 34.22 N ATOM 392 CA TYR A 24 12.015 -4.946 -6.726 1.00 52.21 C ATOM 393 C TYR A 24 13.375 -5.159 -7.428 1.00 24.42 C ATOM 394 O TYR A 24 14.162 -4.220 -7.557 1.00 64.52 O ATOM 395 CB TYR A 24 12.214 -4.810 -5.206 1.00 22.21 C ATOM 396 CG TYR A 24 13.252 -3.773 -4.798 1.00 3.44 C ATOM 397 CD1 TYR A 24 13.014 -2.411 -4.969 1.00 65.44 C ATOM 398 CD2 TYR A 24 14.475 -4.159 -4.249 1.00 74.04 C ATOM 399 CE1 TYR A 24 13.960 -1.468 -4.602 1.00 24.32 C ATOM 400 CE2 TYR A 24 15.422 -3.221 -3.880 1.00 74.55 C ATOM 401 CZ TYR A 24 15.161 -1.879 -4.059 1.00 63.10 C ATOM 402 OH TYR A 24 16.105 -0.942 -3.687 1.00 11.25 O ATOM 0 H TYR A 24 11.053 -6.775 -6.309 1.00 34.22 H new ATOM 0 HA TYR A 24 11.589 -4.024 -7.123 1.00 52.21 H new ATOM 0 HB2 TYR A 24 11.259 -4.550 -4.749 1.00 22.21 H new ATOM 0 HB3 TYR A 24 12.508 -5.779 -4.802 1.00 22.21 H new ATOM 0 HD1 TYR A 24 12.077 -2.085 -5.395 1.00 65.44 H new ATOM 0 HD2 TYR A 24 14.686 -5.209 -4.110 1.00 74.04 H new ATOM 0 HE1 TYR A 24 13.759 -0.416 -4.740 1.00 24.32 H new ATOM 0 HE2 TYR A 24 16.362 -3.538 -3.453 1.00 74.55 H new ATOM 0 HH TYR A 24 16.892 -1.398 -3.322 1.00 11.25 H new ATOM 412 N GLY A 25 13.641 -6.390 -7.879 1.00 43.13 N ATOM 413 CA GLY A 25 14.919 -6.708 -8.531 1.00 4.23 C ATOM 414 C GLY A 25 15.152 -5.930 -9.827 1.00 70.34 C ATOM 415 O GLY A 25 15.418 -4.727 -9.801 1.00 21.05 O ATOM 0 H GLY A 25 12.996 -7.177 -7.806 1.00 43.13 H new ATOM 0 HA2 GLY A 25 15.734 -6.497 -7.838 1.00 4.23 H new ATOM 0 HA3 GLY A 25 14.952 -7.776 -8.746 1.00 4.23 H new ATOM 419 N ASP A 26 15.072 -6.613 -10.964 1.00 74.10 N ATOM 420 CA ASP A 26 15.175 -5.945 -12.262 1.00 35.33 C ATOM 421 C ASP A 26 13.813 -5.384 -12.701 1.00 12.32 C ATOM 422 O ASP A 26 12.855 -6.138 -12.892 1.00 70.45 O ATOM 423 CB ASP A 26 15.699 -6.907 -13.339 1.00 44.33 C ATOM 424 CG ASP A 26 17.190 -7.178 -13.222 1.00 41.31 C ATOM 425 OD1 ASP A 26 17.988 -6.292 -13.598 1.00 45.11 O ATOM 426 OD2 ASP A 26 17.570 -8.281 -12.777 1.00 50.45 O ATOM 0 H ASP A 26 14.937 -7.623 -11.016 1.00 74.10 H new ATOM 0 HA ASP A 26 15.881 -5.122 -12.148 1.00 35.33 H new ATOM 0 HB2 ASP A 26 15.158 -7.851 -13.269 1.00 44.33 H new ATOM 0 HB3 ASP A 26 15.488 -6.490 -14.324 1.00 44.33 H new ATOM 431 N PRO A 27 13.700 -4.052 -12.878 1.00 64.11 N ATOM 432 CA PRO A 27 12.476 -3.436 -13.411 1.00 4.12 C ATOM 433 C PRO A 27 12.114 -4.016 -14.785 1.00 60.43 C ATOM 434 O PRO A 27 10.940 -4.188 -15.121 1.00 60.24 O ATOM 435 CB PRO A 27 12.831 -1.941 -13.519 1.00 12.43 C ATOM 436 CG PRO A 27 14.324 -1.882 -13.428 1.00 64.23 C ATOM 437 CD PRO A 27 14.732 -3.047 -12.572 1.00 13.41 C ATOM 0 HA PRO A 27 11.608 -3.618 -12.778 1.00 4.12 H new ATOM 0 HB2 PRO A 27 12.477 -1.520 -14.460 1.00 12.43 H new ATOM 0 HB3 PRO A 27 12.365 -1.367 -12.718 1.00 12.43 H new ATOM 0 HG2 PRO A 27 14.778 -1.946 -14.417 1.00 64.23 H new ATOM 0 HG3 PRO A 27 14.651 -0.940 -12.987 1.00 64.23 H new ATOM 0 HD2 PRO A 27 15.731 -3.403 -12.823 1.00 13.41 H new ATOM 0 HD3 PRO A 27 14.743 -2.787 -11.513 1.00 13.41 H new ATOM 445 N LEU A 28 13.149 -4.339 -15.562 1.00 44.23 N ATOM 446 CA LEU A 28 12.977 -4.957 -16.880 1.00 14.52 C ATOM 447 C LEU A 28 12.335 -6.350 -16.766 1.00 3.03 C ATOM 448 O LEU A 28 11.622 -6.783 -17.667 1.00 40.34 O ATOM 449 CB LEU A 28 14.328 -5.065 -17.615 1.00 35.14 C ATOM 450 CG LEU A 28 14.967 -3.733 -18.067 1.00 35.53 C ATOM 451 CD1 LEU A 28 15.397 -2.880 -16.875 1.00 4.22 C ATOM 452 CD2 LEU A 28 16.155 -3.990 -18.994 1.00 51.53 C ATOM 0 H LEU A 28 14.122 -4.182 -15.300 1.00 44.23 H new ATOM 0 HA LEU A 28 12.310 -4.315 -17.455 1.00 14.52 H new ATOM 0 HB2 LEU A 28 15.033 -5.579 -16.962 1.00 35.14 H new ATOM 0 HB3 LEU A 28 14.190 -5.695 -18.494 1.00 35.14 H new ATOM 0 HG LEU A 28 14.207 -3.177 -18.616 1.00 35.53 H new ATOM 0 HD11 LEU A 28 15.842 -1.952 -17.233 1.00 4.22 H new ATOM 0 HD12 LEU A 28 14.528 -2.651 -16.259 1.00 4.22 H new ATOM 0 HD13 LEU A 28 16.129 -3.427 -16.281 1.00 4.22 H new ATOM 0 HD21 LEU A 28 16.590 -3.039 -19.300 1.00 51.53 H new ATOM 0 HD22 LEU A 28 16.906 -4.580 -18.468 1.00 51.53 H new ATOM 0 HD23 LEU A 28 15.817 -4.535 -19.875 1.00 51.53 H new ATOM 464 N ALA A 29 12.575 -7.037 -15.648 1.00 63.35 N ATOM 465 CA ALA A 29 12.055 -8.395 -15.446 1.00 42.22 C ATOM 466 C ALA A 29 10.521 -8.437 -15.506 1.00 12.11 C ATOM 467 O ALA A 29 9.942 -9.137 -16.341 1.00 33.55 O ATOM 468 CB ALA A 29 12.548 -8.954 -14.118 1.00 73.24 C ATOM 0 H ALA A 29 13.125 -6.678 -14.868 1.00 63.35 H new ATOM 0 HA ALA A 29 12.430 -9.016 -16.260 1.00 42.22 H new ATOM 0 HB1 ALA A 29 12.156 -9.962 -13.979 1.00 73.24 H new ATOM 0 HB2 ALA A 29 13.638 -8.986 -14.119 1.00 73.24 H new ATOM 0 HB3 ALA A 29 12.204 -8.316 -13.304 1.00 73.24 H new ATOM 474 N TYR A 30 9.861 -7.685 -14.625 1.00 64.52 N ATOM 475 CA TYR A 30 8.395 -7.663 -14.597 1.00 12.14 C ATOM 476 C TYR A 30 7.830 -6.856 -15.775 1.00 73.12 C ATOM 477 O TYR A 30 6.707 -7.091 -16.213 1.00 53.24 O ATOM 478 CB TYR A 30 7.868 -7.107 -13.261 1.00 54.42 C ATOM 479 CG TYR A 30 8.083 -5.615 -13.052 1.00 44.14 C ATOM 480 CD1 TYR A 30 7.204 -4.681 -13.599 1.00 42.01 C ATOM 481 CD2 TYR A 30 9.147 -5.140 -12.292 1.00 41.32 C ATOM 482 CE1 TYR A 30 7.385 -3.328 -13.402 1.00 74.34 C ATOM 483 CE2 TYR A 30 9.328 -3.784 -12.087 1.00 52.35 C ATOM 484 CZ TYR A 30 8.445 -2.883 -12.645 1.00 22.41 C ATOM 485 OH TYR A 30 8.618 -1.532 -12.440 1.00 22.35 O ATOM 0 H TYR A 30 10.309 -7.089 -13.929 1.00 64.52 H new ATOM 0 HA TYR A 30 8.053 -8.693 -14.693 1.00 12.14 H new ATOM 0 HB2 TYR A 30 6.801 -7.317 -13.194 1.00 54.42 H new ATOM 0 HB3 TYR A 30 8.351 -7.645 -12.446 1.00 54.42 H new ATOM 0 HD1 TYR A 30 6.366 -5.023 -14.188 1.00 42.01 H new ATOM 0 HD2 TYR A 30 9.843 -5.841 -11.855 1.00 41.32 H new ATOM 0 HE1 TYR A 30 6.697 -2.620 -13.840 1.00 74.34 H new ATOM 0 HE2 TYR A 30 10.158 -3.432 -11.492 1.00 52.35 H new ATOM 0 HH TYR A 30 9.411 -1.384 -11.884 1.00 22.35 H new ATOM 495 N LEU A 31 8.608 -5.893 -16.272 1.00 51.32 N ATOM 496 CA LEU A 31 8.210 -5.106 -17.446 1.00 55.31 C ATOM 497 C LEU A 31 8.059 -6.026 -18.669 1.00 44.14 C ATOM 498 O LEU A 31 7.028 -6.021 -19.348 1.00 52.24 O ATOM 499 CB LEU A 31 9.250 -3.995 -17.713 1.00 33.04 C ATOM 500 CG LEU A 31 8.848 -2.886 -18.716 1.00 53.14 C ATOM 501 CD1 LEU A 31 8.900 -3.379 -20.164 1.00 25.15 C ATOM 502 CD2 LEU A 31 7.464 -2.332 -18.379 1.00 43.43 C ATOM 0 H LEU A 31 9.516 -5.638 -15.883 1.00 51.32 H new ATOM 0 HA LEU A 31 7.247 -4.633 -17.254 1.00 55.31 H new ATOM 0 HB2 LEU A 31 9.492 -3.521 -16.762 1.00 33.04 H new ATOM 0 HB3 LEU A 31 10.164 -4.466 -18.076 1.00 33.04 H new ATOM 0 HG LEU A 31 9.577 -2.081 -18.623 1.00 53.14 H new ATOM 0 HD11 LEU A 31 8.611 -2.570 -20.834 1.00 25.15 H new ATOM 0 HD12 LEU A 31 9.913 -3.703 -20.402 1.00 25.15 H new ATOM 0 HD13 LEU A 31 8.213 -4.216 -20.288 1.00 25.15 H new ATOM 0 HD21 LEU A 31 7.199 -1.554 -19.095 1.00 43.43 H new ATOM 0 HD22 LEU A 31 6.729 -3.135 -18.428 1.00 43.43 H new ATOM 0 HD23 LEU A 31 7.475 -1.911 -17.374 1.00 43.43 H new ATOM 514 N GLN A 32 9.091 -6.823 -18.937 1.00 62.30 N ATOM 515 CA GLN A 32 9.043 -7.804 -20.020 1.00 0.41 C ATOM 516 C GLN A 32 7.926 -8.828 -19.785 1.00 71.53 C ATOM 517 O GLN A 32 7.194 -9.166 -20.710 1.00 4.21 O ATOM 518 CB GLN A 32 10.397 -8.513 -20.179 1.00 64.42 C ATOM 519 CG GLN A 32 11.517 -7.595 -20.663 1.00 71.53 C ATOM 520 CD GLN A 32 11.202 -6.938 -21.998 1.00 15.31 C ATOM 521 OE1 GLN A 32 10.627 -5.854 -22.053 1.00 13.52 O ATOM 522 NE2 GLN A 32 11.573 -7.584 -23.083 1.00 22.24 N ATOM 0 H GLN A 32 9.970 -6.809 -18.420 1.00 62.30 H new ATOM 0 HA GLN A 32 8.826 -7.268 -20.944 1.00 0.41 H new ATOM 0 HB2 GLN A 32 10.684 -8.948 -19.222 1.00 64.42 H new ATOM 0 HB3 GLN A 32 10.285 -9.337 -20.883 1.00 64.42 H new ATOM 0 HG2 GLN A 32 11.696 -6.822 -19.916 1.00 71.53 H new ATOM 0 HG3 GLN A 32 12.439 -8.170 -20.754 1.00 71.53 H new ATOM 0 HE21 GLN A 32 12.049 -8.483 -23.004 1.00 22.24 H new ATOM 0 HE22 GLN A 32 11.385 -7.186 -24.003 1.00 22.24 H new ATOM 531 N GLU A 33 7.780 -9.301 -18.546 1.00 30.51 N ATOM 532 CA GLU A 33 6.698 -10.237 -18.216 1.00 3.13 C ATOM 533 C GLU A 33 5.316 -9.624 -18.512 1.00 23.54 C ATOM 534 O GLU A 33 4.456 -10.268 -19.100 1.00 3.04 O ATOM 535 CB GLU A 33 6.776 -10.686 -16.747 1.00 54.43 C ATOM 536 CG GLU A 33 5.684 -11.684 -16.342 1.00 43.42 C ATOM 537 CD GLU A 33 5.746 -13.003 -17.115 1.00 64.11 C ATOM 538 OE1 GLU A 33 5.613 -12.982 -18.357 1.00 43.34 O ATOM 539 OE2 GLU A 33 5.912 -14.068 -16.485 1.00 2.44 O ATOM 0 H GLU A 33 8.387 -9.057 -17.763 1.00 30.51 H new ATOM 0 HA GLU A 33 6.827 -11.114 -18.851 1.00 3.13 H new ATOM 0 HB2 GLU A 33 7.752 -11.137 -16.567 1.00 54.43 H new ATOM 0 HB3 GLU A 33 6.708 -9.808 -16.105 1.00 54.43 H new ATOM 0 HG2 GLU A 33 5.771 -11.892 -15.276 1.00 43.42 H new ATOM 0 HG3 GLU A 33 4.708 -11.226 -16.499 1.00 43.42 H new ATOM 546 N THR A 34 5.113 -8.370 -18.121 1.00 71.33 N ATOM 547 CA THR A 34 3.866 -7.656 -18.437 1.00 14.23 C ATOM 548 C THR A 34 3.618 -7.631 -19.954 1.00 24.15 C ATOM 549 O THR A 34 2.480 -7.723 -20.420 1.00 52.41 O ATOM 550 CB THR A 34 3.894 -6.202 -17.901 1.00 33.01 C ATOM 551 OG1 THR A 34 3.991 -6.207 -16.469 1.00 33.12 O ATOM 552 CG2 THR A 34 2.648 -5.426 -18.322 1.00 22.13 C ATOM 0 H THR A 34 5.788 -7.823 -17.587 1.00 71.33 H new ATOM 0 HA THR A 34 3.056 -8.196 -17.947 1.00 14.23 H new ATOM 0 HB THR A 34 4.766 -5.709 -18.329 1.00 33.01 H new ATOM 0 HG1 THR A 34 4.898 -6.467 -16.203 1.00 33.12 H new ATOM 0 HG21 THR A 34 2.701 -4.411 -17.929 1.00 22.13 H new ATOM 0 HG22 THR A 34 2.591 -5.391 -19.410 1.00 22.13 H new ATOM 0 HG23 THR A 34 1.761 -5.921 -17.928 1.00 22.13 H new ATOM 560 N THR A 35 4.700 -7.509 -20.716 1.00 21.33 N ATOM 561 CA THR A 35 4.631 -7.507 -22.183 1.00 55.13 C ATOM 562 C THR A 35 4.465 -8.932 -22.753 1.00 30.44 C ATOM 563 O THR A 35 3.857 -9.125 -23.809 1.00 40.45 O ATOM 564 CB THR A 35 5.906 -6.863 -22.787 1.00 54.11 C ATOM 565 OG1 THR A 35 6.137 -5.578 -22.185 1.00 10.04 O ATOM 566 CG2 THR A 35 5.790 -6.697 -24.302 1.00 45.20 C ATOM 0 H THR A 35 5.644 -7.409 -20.344 1.00 21.33 H new ATOM 0 HA THR A 35 3.755 -6.921 -22.459 1.00 55.13 H new ATOM 0 HB THR A 35 6.743 -7.530 -22.579 1.00 54.11 H new ATOM 0 HG1 THR A 35 6.443 -5.699 -21.262 1.00 10.04 H new ATOM 0 HG21 THR A 35 6.702 -6.243 -24.689 1.00 45.20 H new ATOM 0 HG22 THR A 35 5.646 -7.673 -24.765 1.00 45.20 H new ATOM 0 HG23 THR A 35 4.939 -6.056 -24.534 1.00 45.20 H new ATOM 574 N LYS A 36 5.007 -9.929 -22.053 1.00 22.12 N ATOM 575 CA LYS A 36 4.962 -11.329 -22.511 1.00 11.25 C ATOM 576 C LYS A 36 3.798 -12.118 -21.873 1.00 65.12 C ATOM 577 O LYS A 36 2.903 -12.584 -22.584 1.00 43.41 O ATOM 578 CB LYS A 36 6.298 -12.038 -22.212 1.00 52.32 C ATOM 579 CG LYS A 36 7.396 -11.838 -23.268 1.00 71.04 C ATOM 580 CD LYS A 36 7.834 -10.382 -23.417 1.00 32.52 C ATOM 581 CE LYS A 36 9.129 -10.260 -24.218 1.00 24.11 C ATOM 582 NZ LYS A 36 8.994 -10.783 -25.605 1.00 0.23 N ATOM 0 H LYS A 36 5.486 -9.798 -21.162 1.00 22.12 H new ATOM 0 HA LYS A 36 4.794 -11.305 -23.588 1.00 11.25 H new ATOM 0 HB2 LYS A 36 6.672 -11.684 -21.251 1.00 52.32 H new ATOM 0 HB3 LYS A 36 6.108 -13.106 -22.106 1.00 52.32 H new ATOM 0 HG2 LYS A 36 8.261 -12.445 -23.002 1.00 71.04 H new ATOM 0 HG3 LYS A 36 7.036 -12.202 -24.230 1.00 71.04 H new ATOM 0 HD2 LYS A 36 7.046 -9.814 -23.911 1.00 32.52 H new ATOM 0 HD3 LYS A 36 7.974 -9.941 -22.430 1.00 32.52 H new ATOM 0 HE2 LYS A 36 9.432 -9.214 -24.256 1.00 24.11 H new ATOM 0 HE3 LYS A 36 9.922 -10.803 -23.704 1.00 24.11 H new ATOM 0 HZ1 LYS A 36 9.555 -11.653 -25.704 1.00 0.23 H new ATOM 0 HZ2 LYS A 36 7.994 -10.991 -25.802 1.00 0.23 H new ATOM 0 HZ3 LYS A 36 9.339 -10.071 -26.280 1.00 0.23 H new ATOM 596 N PHE A 37 3.831 -12.275 -20.543 1.00 13.54 N ATOM 597 CA PHE A 37 2.815 -13.029 -19.792 1.00 22.45 C ATOM 598 C PHE A 37 2.987 -14.545 -20.012 1.00 21.25 C ATOM 599 O PHE A 37 2.162 -15.199 -20.660 1.00 63.52 O ATOM 600 CB PHE A 37 1.393 -12.555 -20.153 1.00 33.22 C ATOM 601 CG PHE A 37 0.321 -12.988 -19.178 1.00 3.14 C ATOM 602 CD1 PHE A 37 0.307 -12.494 -17.879 1.00 15.33 C ATOM 603 CD2 PHE A 37 -0.683 -13.868 -19.564 1.00 74.42 C ATOM 604 CE1 PHE A 37 -0.682 -12.870 -16.987 1.00 44.52 C ATOM 605 CE2 PHE A 37 -1.673 -14.248 -18.673 1.00 40.34 C ATOM 606 CZ PHE A 37 -1.672 -13.747 -17.385 1.00 2.44 C ATOM 0 H PHE A 37 4.565 -11.882 -19.954 1.00 13.54 H new ATOM 0 HA PHE A 37 2.959 -12.833 -18.729 1.00 22.45 H new ATOM 0 HB2 PHE A 37 1.391 -11.467 -20.215 1.00 33.22 H new ATOM 0 HB3 PHE A 37 1.139 -12.932 -21.144 1.00 33.22 H new ATOM 0 HD1 PHE A 37 1.078 -11.808 -17.562 1.00 15.33 H new ATOM 0 HD2 PHE A 37 -0.691 -14.260 -20.570 1.00 74.42 H new ATOM 0 HE1 PHE A 37 -0.680 -12.478 -15.981 1.00 44.52 H new ATOM 0 HE2 PHE A 37 -2.445 -14.936 -18.985 1.00 40.34 H new ATOM 0 HZ PHE A 37 -2.445 -14.041 -16.690 1.00 2.44 H new ATOM 616 N VAL A 38 4.091 -15.076 -19.474 1.00 65.15 N ATOM 617 CA VAL A 38 4.462 -16.491 -19.596 1.00 34.34 C ATOM 618 C VAL A 38 4.658 -16.924 -21.061 1.00 44.34 C ATOM 619 O VAL A 38 3.728 -17.396 -21.719 1.00 2.20 O ATOM 620 CB VAL A 38 3.437 -17.412 -18.889 1.00 72.20 C ATOM 621 CG1 VAL A 38 3.785 -18.887 -19.088 1.00 72.22 C ATOM 622 CG2 VAL A 38 3.360 -17.065 -17.402 1.00 35.04 C ATOM 0 H VAL A 38 4.761 -14.528 -18.934 1.00 65.15 H new ATOM 0 HA VAL A 38 5.423 -16.599 -19.093 1.00 34.34 H new ATOM 0 HB VAL A 38 2.458 -17.245 -19.339 1.00 72.20 H new ATOM 0 HG11 VAL A 38 3.047 -19.507 -18.580 1.00 72.22 H new ATOM 0 HG12 VAL A 38 3.784 -19.121 -20.153 1.00 72.22 H new ATOM 0 HG13 VAL A 38 4.773 -19.087 -18.674 1.00 72.22 H new ATOM 0 HG21 VAL A 38 2.637 -17.718 -16.913 1.00 35.04 H new ATOM 0 HG22 VAL A 38 4.340 -17.203 -16.945 1.00 35.04 H new ATOM 0 HG23 VAL A 38 3.048 -16.027 -17.286 1.00 35.04 H new ATOM 632 N THR A 39 5.882 -16.751 -21.569 1.00 65.51 N ATOM 633 CA THR A 39 6.203 -17.115 -22.961 1.00 52.12 C ATOM 634 C THR A 39 7.575 -17.806 -23.097 1.00 30.22 C ATOM 635 O THR A 39 7.646 -19.016 -23.329 1.00 21.44 O ATOM 636 CB THR A 39 6.183 -15.886 -23.913 1.00 23.13 C ATOM 637 OG1 THR A 39 7.212 -14.955 -23.547 1.00 13.13 O ATOM 638 CG2 THR A 39 4.830 -15.178 -23.895 1.00 13.10 C ATOM 0 H THR A 39 6.666 -16.364 -21.044 1.00 65.51 H new ATOM 0 HA THR A 39 5.420 -17.815 -23.251 1.00 52.12 H new ATOM 0 HB THR A 39 6.362 -16.256 -24.923 1.00 23.13 H new ATOM 0 HG1 THR A 39 7.407 -14.367 -24.307 1.00 13.13 H new ATOM 0 HG21 THR A 39 4.857 -14.325 -24.573 1.00 13.10 H new ATOM 0 HG22 THR A 39 4.052 -15.871 -24.215 1.00 13.10 H new ATOM 0 HG23 THR A 39 4.614 -14.832 -22.884 1.00 13.10 H new ATOM 646 N GLU A 40 8.670 -17.048 -22.940 1.00 10.22 N ATOM 647 CA GLU A 40 10.008 -17.552 -23.304 1.00 64.55 C ATOM 648 C GLU A 40 11.139 -17.071 -22.352 1.00 25.12 C ATOM 649 O GLU A 40 11.077 -15.983 -21.751 1.00 13.52 O ATOM 650 CB GLU A 40 10.315 -17.113 -24.754 1.00 15.51 C ATOM 651 CG GLU A 40 10.774 -18.239 -25.673 1.00 42.24 C ATOM 652 CD GLU A 40 12.052 -18.899 -25.192 1.00 40.30 C ATOM 653 OE1 GLU A 40 13.115 -18.254 -25.268 1.00 33.15 O ATOM 654 OE2 GLU A 40 11.989 -20.051 -24.705 1.00 11.44 O ATOM 0 H GLU A 40 8.660 -16.098 -22.569 1.00 10.22 H new ATOM 0 HA GLU A 40 9.986 -18.638 -23.212 1.00 64.55 H new ATOM 0 HB2 GLU A 40 9.421 -16.656 -25.179 1.00 15.51 H new ATOM 0 HB3 GLU A 40 11.086 -16.343 -24.731 1.00 15.51 H new ATOM 0 HG2 GLU A 40 9.986 -18.989 -25.744 1.00 42.24 H new ATOM 0 HG3 GLU A 40 10.929 -17.844 -26.677 1.00 42.24 H new ATOM 661 N ARG A 41 12.192 -17.888 -22.221 1.00 73.32 N ATOM 662 CA ARG A 41 13.387 -17.485 -21.460 1.00 33.54 C ATOM 663 C ARG A 41 13.959 -16.176 -22.026 1.00 31.20 C ATOM 664 O ARG A 41 14.670 -15.445 -21.339 1.00 45.52 O ATOM 665 CB ARG A 41 14.458 -18.586 -21.479 1.00 40.35 C ATOM 666 CG ARG A 41 14.935 -18.964 -22.877 1.00 4.41 C ATOM 667 CD ARG A 41 16.062 -19.989 -22.844 1.00 44.31 C ATOM 668 NE ARG A 41 16.438 -20.425 -24.189 1.00 25.44 N ATOM 669 CZ ARG A 41 17.655 -20.389 -24.664 1.00 73.10 C ATOM 670 NH1 ARG A 41 18.628 -19.909 -23.959 1.00 31.02 N ATOM 671 NH2 ARG A 41 17.896 -20.821 -25.857 1.00 22.55 N ATOM 0 H ARG A 41 12.244 -18.823 -22.626 1.00 73.32 H new ATOM 0 HA ARG A 41 13.089 -17.325 -20.424 1.00 33.54 H new ATOM 0 HB2 ARG A 41 15.314 -18.256 -20.891 1.00 40.35 H new ATOM 0 HB3 ARG A 41 14.059 -19.475 -20.990 1.00 40.35 H new ATOM 0 HG2 ARG A 41 14.098 -19.365 -23.448 1.00 4.41 H new ATOM 0 HG3 ARG A 41 15.276 -18.069 -23.397 1.00 4.41 H new ATOM 0 HD2 ARG A 41 16.930 -19.559 -22.345 1.00 44.31 H new ATOM 0 HD3 ARG A 41 15.751 -20.852 -22.255 1.00 44.31 H new ATOM 0 HE ARG A 41 15.701 -20.781 -24.797 1.00 25.44 H new ATOM 0 HH11 ARG A 41 18.450 -19.553 -23.020 1.00 31.02 H new ATOM 0 HH12 ARG A 41 19.573 -19.887 -24.342 1.00 31.02 H new ATOM 0 HH21 ARG A 41 17.136 -21.190 -26.429 1.00 22.55 H new ATOM 0 HH22 ARG A 41 18.846 -20.793 -26.227 1.00 22.55 H new ATOM 685 N GLU A 42 13.621 -15.898 -23.289 1.00 1.43 N ATOM 686 CA GLU A 42 13.892 -14.604 -23.932 1.00 72.14 C ATOM 687 C GLU A 42 13.667 -13.421 -22.971 1.00 30.22 C ATOM 688 O GLU A 42 14.392 -12.420 -23.019 1.00 51.23 O ATOM 689 CB GLU A 42 12.974 -14.450 -25.158 1.00 61.55 C ATOM 690 CG GLU A 42 13.060 -13.087 -25.838 1.00 74.12 C ATOM 691 CD GLU A 42 11.977 -12.878 -26.889 1.00 5.00 C ATOM 692 OE1 GLU A 42 10.836 -12.526 -26.514 1.00 71.55 O ATOM 693 OE2 GLU A 42 12.259 -13.063 -28.094 1.00 70.53 O ATOM 0 H GLU A 42 13.149 -16.566 -23.899 1.00 1.43 H new ATOM 0 HA GLU A 42 14.940 -14.590 -24.231 1.00 72.14 H new ATOM 0 HB2 GLU A 42 13.225 -15.222 -25.885 1.00 61.55 H new ATOM 0 HB3 GLU A 42 11.943 -14.625 -24.850 1.00 61.55 H new ATOM 0 HG2 GLU A 42 12.982 -12.305 -25.083 1.00 74.12 H new ATOM 0 HG3 GLU A 42 14.039 -12.982 -26.306 1.00 74.12 H new ATOM 700 N TYR A 43 12.657 -13.532 -22.103 1.00 51.14 N ATOM 701 CA TYR A 43 12.370 -12.471 -21.134 1.00 13.30 C ATOM 702 C TYR A 43 12.727 -12.877 -19.696 1.00 0.11 C ATOM 703 O TYR A 43 12.989 -12.010 -18.872 1.00 62.50 O ATOM 704 CB TYR A 43 10.897 -12.029 -21.202 1.00 1.51 C ATOM 705 CG TYR A 43 9.919 -12.968 -20.519 1.00 51.41 C ATOM 706 CD1 TYR A 43 9.697 -12.897 -19.147 1.00 41.44 C ATOM 707 CD2 TYR A 43 9.216 -13.916 -21.244 1.00 23.43 C ATOM 708 CE1 TYR A 43 8.807 -13.748 -18.525 1.00 32.10 C ATOM 709 CE2 TYR A 43 8.324 -14.769 -20.628 1.00 64.10 C ATOM 710 CZ TYR A 43 8.122 -14.681 -19.271 1.00 3.11 C ATOM 711 OH TYR A 43 7.241 -15.542 -18.658 1.00 60.10 O ATOM 0 H TYR A 43 12.031 -14.336 -22.051 1.00 51.14 H new ATOM 0 HA TYR A 43 13.005 -11.629 -21.411 1.00 13.30 H new ATOM 0 HB2 TYR A 43 10.807 -11.041 -20.749 1.00 1.51 H new ATOM 0 HB3 TYR A 43 10.611 -11.927 -22.249 1.00 1.51 H new ATOM 0 HD1 TYR A 43 10.230 -12.164 -18.560 1.00 41.44 H new ATOM 0 HD2 TYR A 43 9.369 -13.989 -22.311 1.00 23.43 H new ATOM 0 HE1 TYR A 43 8.648 -13.683 -17.459 1.00 32.10 H new ATOM 0 HE2 TYR A 43 7.786 -15.503 -21.210 1.00 64.10 H new ATOM 0 HH TYR A 43 6.938 -15.152 -17.811 1.00 60.10 H new ATOM 721 N TYR A 44 12.710 -14.179 -19.363 1.00 12.42 N ATOM 722 CA TYR A 44 13.025 -14.577 -17.968 1.00 40.51 C ATOM 723 C TYR A 44 14.296 -15.439 -17.825 1.00 70.15 C ATOM 724 O TYR A 44 14.413 -16.207 -16.876 1.00 61.45 O ATOM 725 CB TYR A 44 11.822 -15.281 -17.303 1.00 64.44 C ATOM 726 CG TYR A 44 11.487 -16.670 -17.830 1.00 22.22 C ATOM 727 CD1 TYR A 44 10.658 -16.837 -18.930 1.00 74.23 C ATOM 728 CD2 TYR A 44 11.976 -17.815 -17.204 1.00 42.01 C ATOM 729 CE1 TYR A 44 10.331 -18.096 -19.396 1.00 0.33 C ATOM 730 CE2 TYR A 44 11.648 -19.075 -17.663 1.00 4.22 C ATOM 731 CZ TYR A 44 10.826 -19.210 -18.759 1.00 22.13 C ATOM 732 OH TYR A 44 10.487 -20.465 -19.213 1.00 52.14 O ATOM 0 H TYR A 44 12.494 -14.945 -20.000 1.00 12.42 H new ATOM 0 HA TYR A 44 13.234 -13.643 -17.447 1.00 40.51 H new ATOM 0 HB2 TYR A 44 12.017 -15.357 -16.233 1.00 64.44 H new ATOM 0 HB3 TYR A 44 10.944 -14.647 -17.423 1.00 64.44 H new ATOM 0 HD1 TYR A 44 10.261 -15.967 -19.431 1.00 74.23 H new ATOM 0 HD2 TYR A 44 12.623 -17.715 -16.345 1.00 42.01 H new ATOM 0 HE1 TYR A 44 9.689 -18.205 -20.258 1.00 0.33 H new ATOM 0 HE2 TYR A 44 12.035 -19.951 -17.164 1.00 4.22 H new ATOM 0 HH TYR A 44 9.528 -20.613 -19.079 1.00 52.14 H new ATOM 742 N GLU A 45 15.268 -15.288 -18.726 1.00 32.21 N ATOM 743 CA GLU A 45 16.534 -16.037 -18.603 1.00 2.31 C ATOM 744 C GLU A 45 17.495 -15.386 -17.588 1.00 61.21 C ATOM 745 O GLU A 45 17.856 -16.001 -16.584 1.00 44.25 O ATOM 746 CB GLU A 45 17.221 -16.195 -19.969 1.00 23.33 C ATOM 747 CG GLU A 45 18.506 -17.022 -19.918 1.00 1.02 C ATOM 748 CD GLU A 45 18.940 -17.532 -21.284 1.00 53.43 C ATOM 749 OE1 GLU A 45 19.407 -16.720 -22.113 1.00 52.51 O ATOM 750 OE2 GLU A 45 18.821 -18.748 -21.534 1.00 13.15 O ATOM 0 H GLU A 45 15.213 -14.669 -19.535 1.00 32.21 H new ATOM 0 HA GLU A 45 16.279 -17.028 -18.227 1.00 2.31 H new ATOM 0 HB2 GLU A 45 16.525 -16.664 -20.664 1.00 23.33 H new ATOM 0 HB3 GLU A 45 17.451 -15.207 -20.367 1.00 23.33 H new ATOM 0 HG2 GLU A 45 19.305 -16.415 -19.492 1.00 1.02 H new ATOM 0 HG3 GLU A 45 18.359 -17.870 -19.250 1.00 1.02 H new ATOM 757 N ASP A 46 17.911 -14.145 -17.847 1.00 44.21 N ATOM 758 CA ASP A 46 18.797 -13.415 -16.919 1.00 60.22 C ATOM 759 C ASP A 46 18.077 -12.226 -16.262 1.00 23.33 C ATOM 760 O ASP A 46 18.711 -11.361 -15.658 1.00 3.11 O ATOM 761 CB ASP A 46 20.053 -12.920 -17.647 1.00 13.12 C ATOM 762 CG ASP A 46 20.982 -14.050 -18.052 1.00 44.43 C ATOM 763 OD1 ASP A 46 21.723 -14.565 -17.183 1.00 2.41 O ATOM 764 OD2 ASP A 46 20.996 -14.412 -19.244 1.00 30.30 O ATOM 0 H ASP A 46 17.654 -13.622 -18.684 1.00 44.21 H new ATOM 0 HA ASP A 46 19.087 -14.114 -16.134 1.00 60.22 H new ATOM 0 HB2 ASP A 46 19.756 -12.363 -18.536 1.00 13.12 H new ATOM 0 HB3 ASP A 46 20.592 -12.226 -17.002 1.00 13.12 H new ATOM 769 N PHE A 47 16.755 -12.183 -16.381 1.00 41.15 N ATOM 770 CA PHE A 47 15.965 -11.105 -15.776 1.00 2.24 C ATOM 771 C PHE A 47 15.552 -11.463 -14.339 1.00 23.11 C ATOM 772 O PHE A 47 15.003 -12.533 -14.079 1.00 25.34 O ATOM 773 CB PHE A 47 14.745 -10.789 -16.643 1.00 15.13 C ATOM 774 CG PHE A 47 15.107 -10.152 -17.967 1.00 4.43 C ATOM 775 CD1 PHE A 47 15.682 -10.907 -18.985 1.00 71.12 C ATOM 776 CD2 PHE A 47 14.879 -8.801 -18.191 1.00 64.22 C ATOM 777 CE1 PHE A 47 16.017 -10.325 -20.192 1.00 71.21 C ATOM 778 CE2 PHE A 47 15.215 -8.217 -19.397 1.00 65.42 C ATOM 779 CZ PHE A 47 15.784 -8.979 -20.399 1.00 72.34 C ATOM 0 H PHE A 47 16.205 -12.877 -16.888 1.00 41.15 H new ATOM 0 HA PHE A 47 16.585 -10.210 -15.724 1.00 2.24 H new ATOM 0 HB2 PHE A 47 14.191 -11.709 -16.829 1.00 15.13 H new ATOM 0 HB3 PHE A 47 14.080 -10.121 -16.095 1.00 15.13 H new ATOM 0 HD1 PHE A 47 15.868 -11.959 -18.830 1.00 71.12 H new ATOM 0 HD2 PHE A 47 14.433 -8.199 -17.413 1.00 64.22 H new ATOM 0 HE1 PHE A 47 16.461 -10.922 -20.974 1.00 71.21 H new ATOM 0 HE2 PHE A 47 15.033 -7.164 -19.557 1.00 65.42 H new ATOM 0 HZ PHE A 47 16.046 -8.523 -21.342 1.00 72.34 H new ATOM 789 N GLY A 48 15.797 -10.538 -13.416 1.00 64.43 N ATOM 790 CA GLY A 48 15.725 -10.847 -11.991 1.00 61.21 C ATOM 791 C GLY A 48 14.404 -10.496 -11.317 1.00 43.12 C ATOM 792 O GLY A 48 14.120 -9.328 -11.045 1.00 64.33 O ATOM 0 H GLY A 48 16.046 -9.572 -13.628 1.00 64.43 H new ATOM 0 HA2 GLY A 48 15.911 -11.913 -11.857 1.00 61.21 H new ATOM 0 HA3 GLY A 48 16.528 -10.316 -11.479 1.00 61.21 H new ATOM 796 N TYR A 49 13.601 -11.516 -11.030 1.00 24.41 N ATOM 797 CA TYR A 49 12.369 -11.340 -10.259 1.00 70.42 C ATOM 798 C TYR A 49 12.678 -11.328 -8.752 1.00 70.22 C ATOM 799 O TYR A 49 13.006 -12.361 -8.165 1.00 31.43 O ATOM 800 CB TYR A 49 11.369 -12.451 -10.607 1.00 34.13 C ATOM 801 CG TYR A 49 11.051 -12.507 -12.089 1.00 75.03 C ATOM 802 CD1 TYR A 49 10.068 -11.693 -12.643 1.00 73.13 C ATOM 803 CD2 TYR A 49 11.751 -13.359 -12.940 1.00 2.55 C ATOM 804 CE1 TYR A 49 9.792 -11.730 -13.995 1.00 14.24 C ATOM 805 CE2 TYR A 49 11.482 -13.396 -14.292 1.00 75.32 C ATOM 806 CZ TYR A 49 10.502 -12.580 -14.815 1.00 22.22 C ATOM 807 OH TYR A 49 10.234 -12.610 -16.161 1.00 10.24 O ATOM 0 H TYR A 49 13.780 -12.477 -11.320 1.00 24.41 H new ATOM 0 HA TYR A 49 11.921 -10.381 -10.518 1.00 70.42 H new ATOM 0 HB2 TYR A 49 11.774 -13.412 -10.290 1.00 34.13 H new ATOM 0 HB3 TYR A 49 10.447 -12.293 -10.047 1.00 34.13 H new ATOM 0 HD1 TYR A 49 9.512 -11.022 -12.005 1.00 73.13 H new ATOM 0 HD2 TYR A 49 12.518 -14.002 -12.534 1.00 2.55 H new ATOM 0 HE1 TYR A 49 9.022 -11.095 -14.409 1.00 14.24 H new ATOM 0 HE2 TYR A 49 12.036 -14.061 -14.938 1.00 75.32 H new ATOM 0 HH TYR A 49 11.071 -12.525 -16.663 1.00 10.24 H new ATOM 817 N GLY A 50 12.598 -10.144 -8.142 1.00 44.01 N ATOM 818 CA GLY A 50 12.958 -9.991 -6.733 1.00 2.34 C ATOM 819 C GLY A 50 14.419 -10.345 -6.462 1.00 23.10 C ATOM 820 O GLY A 50 15.327 -9.759 -7.057 1.00 45.22 O ATOM 0 H GLY A 50 12.290 -9.285 -8.597 1.00 44.01 H new ATOM 0 HA2 GLY A 50 12.773 -8.962 -6.424 1.00 2.34 H new ATOM 0 HA3 GLY A 50 12.314 -10.627 -6.125 1.00 2.34 H new ATOM 824 N GLU A 51 14.646 -11.300 -5.561 1.00 51.22 N ATOM 825 CA GLU A 51 15.995 -11.835 -5.309 1.00 72.41 C ATOM 826 C GLU A 51 16.071 -13.313 -5.723 1.00 62.23 C ATOM 827 O GLU A 51 17.030 -14.015 -5.412 1.00 62.41 O ATOM 828 CB GLU A 51 16.372 -11.688 -3.826 1.00 41.43 C ATOM 829 CG GLU A 51 16.295 -10.259 -3.303 1.00 43.33 C ATOM 830 CD GLU A 51 16.868 -10.119 -1.902 1.00 14.52 C ATOM 831 OE1 GLU A 51 16.497 -10.919 -1.017 1.00 14.23 O ATOM 832 OE2 GLU A 51 17.710 -9.219 -1.686 1.00 13.01 O ATOM 0 H GLU A 51 13.915 -11.724 -4.989 1.00 51.22 H new ATOM 0 HA GLU A 51 16.703 -11.261 -5.907 1.00 72.41 H new ATOM 0 HB2 GLU A 51 15.711 -12.318 -3.230 1.00 41.43 H new ATOM 0 HB3 GLU A 51 17.385 -12.062 -3.681 1.00 41.43 H new ATOM 0 HG2 GLU A 51 16.836 -9.598 -3.981 1.00 43.33 H new ATOM 0 HG3 GLU A 51 15.255 -9.932 -3.301 1.00 43.33 H new ATOM 839 N CYS A 52 15.045 -13.768 -6.437 1.00 61.01 N ATOM 840 CA CYS A 52 14.954 -15.163 -6.877 1.00 52.15 C ATOM 841 C CYS A 52 15.799 -15.396 -8.138 1.00 31.31 C ATOM 842 O CYS A 52 16.629 -16.302 -8.194 1.00 52.23 O ATOM 843 CB CYS A 52 13.488 -15.512 -7.154 1.00 1.23 C ATOM 844 SG CYS A 52 12.369 -15.104 -5.791 1.00 75.52 S ATOM 0 H CYS A 52 14.258 -13.188 -6.727 1.00 61.01 H new ATOM 0 HA CYS A 52 15.342 -15.807 -6.088 1.00 52.15 H new ATOM 0 HB2 CYS A 52 13.162 -14.984 -8.050 1.00 1.23 H new ATOM 0 HB3 CYS A 52 13.412 -16.578 -7.367 1.00 1.23 H new ATOM 0 HG CYS A 52 11.148 -15.393 -6.131 1.00 75.52 H new ATOM 850 N PHE A 53 15.569 -14.567 -9.154 1.00 62.03 N ATOM 851 CA PHE A 53 16.348 -14.613 -10.403 1.00 14.33 C ATOM 852 C PHE A 53 17.437 -13.523 -10.405 1.00 70.21 C ATOM 853 O PHE A 53 17.870 -13.054 -11.460 1.00 33.05 O ATOM 854 CB PHE A 53 15.417 -14.410 -11.611 1.00 33.34 C ATOM 855 CG PHE A 53 14.475 -15.556 -11.898 1.00 34.14 C ATOM 856 CD1 PHE A 53 13.772 -16.182 -10.879 1.00 63.21 C ATOM 857 CD2 PHE A 53 14.279 -15.991 -13.202 1.00 54.34 C ATOM 858 CE1 PHE A 53 12.902 -17.219 -11.154 1.00 44.32 C ATOM 859 CE2 PHE A 53 13.411 -17.026 -13.480 1.00 23.23 C ATOM 860 CZ PHE A 53 12.721 -17.641 -12.456 1.00 3.35 C ATOM 0 H PHE A 53 14.845 -13.848 -9.142 1.00 62.03 H new ATOM 0 HA PHE A 53 16.827 -15.590 -10.472 1.00 14.33 H new ATOM 0 HB2 PHE A 53 14.827 -13.508 -11.447 1.00 33.34 H new ATOM 0 HB3 PHE A 53 16.029 -14.234 -12.495 1.00 33.34 H new ATOM 0 HD1 PHE A 53 13.907 -15.855 -9.859 1.00 63.21 H new ATOM 0 HD2 PHE A 53 14.813 -15.512 -14.009 1.00 54.34 H new ATOM 0 HE1 PHE A 53 12.363 -17.700 -10.351 1.00 44.32 H new ATOM 0 HE2 PHE A 53 13.271 -17.355 -14.499 1.00 23.23 H new ATOM 0 HZ PHE A 53 12.040 -18.451 -12.672 1.00 3.35 H new ATOM 870 N ASN A 54 17.878 -13.133 -9.213 1.00 32.15 N ATOM 871 CA ASN A 54 18.811 -12.012 -9.049 1.00 74.15 C ATOM 872 C ASN A 54 19.577 -12.131 -7.722 1.00 22.35 C ATOM 873 O ASN A 54 19.085 -12.738 -6.774 1.00 1.01 O ATOM 874 CB ASN A 54 18.024 -10.692 -9.078 1.00 14.41 C ATOM 875 CG ASN A 54 18.906 -9.463 -8.953 1.00 21.31 C ATOM 876 OD1 ASN A 54 20.031 -9.435 -9.435 1.00 41.32 O ATOM 877 ND2 ASN A 54 18.405 -8.439 -8.293 1.00 14.51 N ATOM 0 H ASN A 54 17.604 -13.578 -8.337 1.00 32.15 H new ATOM 0 HA ASN A 54 19.534 -12.032 -9.865 1.00 74.15 H new ATOM 0 HB2 ASN A 54 17.461 -10.633 -10.010 1.00 14.41 H new ATOM 0 HB3 ASN A 54 17.297 -10.693 -8.266 1.00 14.41 H new ATOM 0 HD21 ASN A 54 18.958 -7.591 -8.171 1.00 14.51 H new ATOM 0 HD22 ASN A 54 17.464 -8.494 -7.904 1.00 14.51 H new ATOM 884 N SER A 55 20.777 -11.557 -7.656 1.00 51.34 N ATOM 885 CA SER A 55 21.531 -11.503 -6.393 1.00 74.52 C ATOM 886 C SER A 55 20.822 -10.596 -5.376 1.00 61.11 C ATOM 887 O SER A 55 19.839 -9.928 -5.710 1.00 21.24 O ATOM 888 CB SER A 55 22.962 -11.008 -6.639 1.00 12.30 C ATOM 889 OG SER A 55 23.675 -11.906 -7.475 1.00 32.45 O ATOM 0 H SER A 55 21.249 -11.125 -8.450 1.00 51.34 H new ATOM 0 HA SER A 55 21.578 -12.512 -5.983 1.00 74.52 H new ATOM 0 HB2 SER A 55 22.935 -10.021 -7.100 1.00 12.30 H new ATOM 0 HB3 SER A 55 23.482 -10.901 -5.687 1.00 12.30 H new ATOM 0 HG SER A 55 24.584 -11.568 -7.619 1.00 32.45 H new ATOM 895 N THR A 56 21.327 -10.542 -4.145 1.00 73.25 N ATOM 896 CA THR A 56 20.634 -9.798 -3.086 1.00 72.11 C ATOM 897 C THR A 56 20.640 -8.288 -3.365 1.00 13.50 C ATOM 898 O THR A 56 21.690 -7.670 -3.574 1.00 53.31 O ATOM 899 CB THR A 56 21.225 -10.066 -1.679 1.00 13.23 C ATOM 900 OG1 THR A 56 20.461 -9.354 -0.692 1.00 3.32 O ATOM 901 CG2 THR A 56 22.693 -9.656 -1.593 1.00 11.52 C ATOM 0 H THR A 56 22.195 -10.993 -3.856 1.00 73.25 H new ATOM 0 HA THR A 56 19.607 -10.162 -3.092 1.00 72.11 H new ATOM 0 HB THR A 56 21.170 -11.138 -1.490 1.00 13.23 H new ATOM 0 HG1 THR A 56 19.529 -9.284 -0.987 1.00 3.32 H new ATOM 0 HG21 THR A 56 23.070 -9.860 -0.591 1.00 11.52 H new ATOM 0 HG22 THR A 56 23.273 -10.224 -2.321 1.00 11.52 H new ATOM 0 HG23 THR A 56 22.786 -8.591 -1.806 1.00 11.52 H new ATOM 909 N GLU A 57 19.449 -7.702 -3.377 1.00 42.53 N ATOM 910 CA GLU A 57 19.273 -6.294 -3.742 1.00 63.20 C ATOM 911 C GLU A 57 18.273 -5.601 -2.805 1.00 1.20 C ATOM 912 O GLU A 57 18.382 -4.404 -2.530 1.00 73.03 O ATOM 913 CB GLU A 57 18.787 -6.200 -5.200 1.00 75.53 C ATOM 914 CG GLU A 57 18.925 -4.812 -5.817 1.00 44.11 C ATOM 915 CD GLU A 57 20.369 -4.337 -5.843 1.00 74.51 C ATOM 916 OE1 GLU A 57 21.174 -4.908 -6.613 1.00 24.21 O ATOM 917 OE2 GLU A 57 20.709 -3.405 -5.085 1.00 4.13 O ATOM 0 H GLU A 57 18.581 -8.181 -3.137 1.00 42.53 H new ATOM 0 HA GLU A 57 20.232 -5.786 -3.643 1.00 63.20 H new ATOM 0 HB2 GLU A 57 19.349 -6.912 -5.805 1.00 75.53 H new ATOM 0 HB3 GLU A 57 17.740 -6.502 -5.242 1.00 75.53 H new ATOM 0 HG2 GLU A 57 18.531 -4.827 -6.833 1.00 44.11 H new ATOM 0 HG3 GLU A 57 18.321 -4.103 -5.251 1.00 44.11 H new ATOM 924 N SER A 58 17.298 -6.364 -2.315 1.00 63.01 N ATOM 925 CA SER A 58 16.296 -5.839 -1.383 1.00 13.41 C ATOM 926 C SER A 58 16.782 -5.989 0.059 1.00 12.22 C ATOM 927 O SER A 58 17.015 -7.100 0.535 1.00 41.41 O ATOM 928 CB SER A 58 14.957 -6.571 -1.561 1.00 20.44 C ATOM 929 OG SER A 58 13.960 -6.061 -0.688 1.00 53.32 O ATOM 0 H SER A 58 17.178 -7.350 -2.547 1.00 63.01 H new ATOM 0 HA SER A 58 16.149 -4.781 -1.600 1.00 13.41 H new ATOM 0 HB2 SER A 58 14.622 -6.471 -2.594 1.00 20.44 H new ATOM 0 HB3 SER A 58 15.096 -7.635 -1.372 1.00 20.44 H new ATOM 0 HG SER A 58 13.482 -6.806 -0.267 1.00 53.32 H new ATOM 935 N GLU A 59 16.949 -4.867 0.752 1.00 50.04 N ATOM 936 CA GLU A 59 17.423 -4.877 2.141 1.00 13.21 C ATOM 937 C GLU A 59 16.415 -5.559 3.088 1.00 55.21 C ATOM 938 O GLU A 59 16.754 -5.931 4.214 1.00 34.44 O ATOM 939 CB GLU A 59 17.701 -3.445 2.611 1.00 34.43 C ATOM 940 CG GLU A 59 16.497 -2.513 2.514 1.00 32.32 C ATOM 941 CD GLU A 59 16.776 -1.147 3.116 1.00 52.20 C ATOM 942 OE1 GLU A 59 16.544 -0.976 4.330 1.00 42.14 O ATOM 943 OE2 GLU A 59 17.244 -0.247 2.385 1.00 21.43 O ATOM 0 H GLU A 59 16.764 -3.936 0.378 1.00 50.04 H new ATOM 0 HA GLU A 59 18.346 -5.456 2.171 1.00 13.21 H new ATOM 0 HB2 GLU A 59 18.042 -3.473 3.646 1.00 34.43 H new ATOM 0 HB3 GLU A 59 18.516 -3.031 2.018 1.00 34.43 H new ATOM 0 HG2 GLU A 59 16.214 -2.396 1.468 1.00 32.32 H new ATOM 0 HG3 GLU A 59 15.647 -2.966 3.025 1.00 32.32 H new ATOM 950 N VAL A 60 15.177 -5.712 2.624 1.00 75.41 N ATOM 951 CA VAL A 60 14.129 -6.408 3.383 1.00 71.51 C ATOM 952 C VAL A 60 13.947 -7.844 2.846 1.00 23.43 C ATOM 953 O VAL A 60 12.980 -8.532 3.173 1.00 71.42 O ATOM 954 CB VAL A 60 12.782 -5.631 3.300 1.00 35.42 C ATOM 955 CG1 VAL A 60 11.757 -6.181 4.293 1.00 62.32 C ATOM 956 CG2 VAL A 60 13.009 -4.136 3.527 1.00 43.42 C ATOM 0 H VAL A 60 14.868 -5.361 1.717 1.00 75.41 H new ATOM 0 HA VAL A 60 14.436 -6.456 4.428 1.00 71.51 H new ATOM 0 HB VAL A 60 12.378 -5.771 2.298 1.00 35.42 H new ATOM 0 HG11 VAL A 60 10.829 -5.616 4.208 1.00 62.32 H new ATOM 0 HG12 VAL A 60 11.564 -7.231 4.073 1.00 62.32 H new ATOM 0 HG13 VAL A 60 12.147 -6.089 5.307 1.00 62.32 H new ATOM 0 HG21 VAL A 60 12.056 -3.610 3.465 1.00 43.42 H new ATOM 0 HG22 VAL A 60 13.446 -3.980 4.513 1.00 43.42 H new ATOM 0 HG23 VAL A 60 13.686 -3.751 2.765 1.00 43.42 H new ATOM 966 N GLN A 61 14.916 -8.286 2.036 1.00 4.03 N ATOM 967 CA GLN A 61 14.874 -9.597 1.362 1.00 24.25 C ATOM 968 C GLN A 61 13.813 -9.638 0.249 1.00 20.24 C ATOM 969 O GLN A 61 13.151 -8.637 -0.030 1.00 14.42 O ATOM 970 CB GLN A 61 14.642 -10.748 2.359 1.00 63.41 C ATOM 971 CG GLN A 61 15.835 -11.038 3.266 1.00 71.41 C ATOM 972 CD GLN A 61 15.582 -12.199 4.213 1.00 22.02 C ATOM 973 OE1 GLN A 61 14.461 -12.429 4.648 1.00 4.14 O ATOM 974 NE2 GLN A 61 16.615 -12.946 4.533 1.00 55.51 N ATOM 0 H GLN A 61 15.755 -7.746 1.826 1.00 4.03 H new ATOM 0 HA GLN A 61 15.853 -9.736 0.903 1.00 24.25 H new ATOM 0 HB2 GLN A 61 13.778 -10.509 2.979 1.00 63.41 H new ATOM 0 HB3 GLN A 61 14.394 -11.652 1.802 1.00 63.41 H new ATOM 0 HG2 GLN A 61 16.708 -11.259 2.652 1.00 71.41 H new ATOM 0 HG3 GLN A 61 16.071 -10.146 3.846 1.00 71.41 H new ATOM 0 HE21 GLN A 61 17.537 -12.730 4.155 1.00 55.51 H new ATOM 0 HE22 GLN A 61 16.494 -13.742 5.159 1.00 55.51 H new ATOM 983 N CYS A 62 13.687 -10.798 -0.405 1.00 1.31 N ATOM 984 CA CYS A 62 12.688 -10.997 -1.468 1.00 54.32 C ATOM 985 C CYS A 62 11.304 -10.462 -1.062 1.00 23.31 C ATOM 986 O CYS A 62 10.883 -10.593 0.091 1.00 40.43 O ATOM 987 CB CYS A 62 12.578 -12.481 -1.835 1.00 70.34 C ATOM 988 SG CYS A 62 11.398 -12.824 -3.164 1.00 63.44 S ATOM 0 H CYS A 62 14.265 -11.617 -0.218 1.00 1.31 H new ATOM 0 HA CYS A 62 13.029 -10.433 -2.336 1.00 54.32 H new ATOM 0 HB2 CYS A 62 13.561 -12.845 -2.133 1.00 70.34 H new ATOM 0 HB3 CYS A 62 12.285 -13.043 -0.948 1.00 70.34 H new ATOM 0 HG CYS A 62 11.926 -13.659 -4.009 1.00 63.44 H new ATOM 994 N GLU A 63 10.580 -9.905 -2.032 1.00 43.41 N ATOM 995 CA GLU A 63 9.337 -9.167 -1.758 1.00 33.43 C ATOM 996 C GLU A 63 8.210 -10.048 -1.183 1.00 52.02 C ATOM 997 O GLU A 63 7.086 -9.583 -1.007 1.00 12.15 O ATOM 998 CB GLU A 63 8.866 -8.443 -3.028 1.00 65.13 C ATOM 999 CG GLU A 63 9.926 -7.522 -3.635 1.00 75.15 C ATOM 1000 CD GLU A 63 10.479 -6.507 -2.638 1.00 54.50 C ATOM 1001 OE1 GLU A 63 11.463 -6.826 -1.938 1.00 23.42 O ATOM 1002 OE2 GLU A 63 9.933 -5.389 -2.551 1.00 24.11 O ATOM 0 H GLU A 63 10.830 -9.948 -3.020 1.00 43.41 H new ATOM 0 HA GLU A 63 9.571 -8.438 -0.982 1.00 33.43 H new ATOM 0 HB2 GLU A 63 8.572 -9.184 -3.771 1.00 65.13 H new ATOM 0 HB3 GLU A 63 7.978 -7.856 -2.794 1.00 65.13 H new ATOM 0 HG2 GLU A 63 10.746 -8.127 -4.021 1.00 75.15 H new ATOM 0 HG3 GLU A 63 9.495 -6.991 -4.484 1.00 75.15 H new ATOM 1009 N LEU A 64 8.508 -11.310 -0.883 1.00 72.10 N ATOM 1010 CA LEU A 64 7.576 -12.166 -0.143 1.00 33.33 C ATOM 1011 C LEU A 64 7.399 -11.613 1.285 1.00 45.20 C ATOM 1012 O LEU A 64 6.337 -11.739 1.895 1.00 61.14 O ATOM 1013 CB LEU A 64 8.104 -13.620 -0.128 1.00 0.14 C ATOM 1014 CG LEU A 64 7.114 -14.719 0.323 1.00 21.04 C ATOM 1015 CD1 LEU A 64 6.945 -14.741 1.843 1.00 73.22 C ATOM 1016 CD2 LEU A 64 5.761 -14.544 -0.370 1.00 73.03 C ATOM 0 H LEU A 64 9.385 -11.764 -1.139 1.00 72.10 H new ATOM 0 HA LEU A 64 6.601 -12.169 -0.631 1.00 33.33 H new ATOM 0 HB2 LEU A 64 8.449 -13.866 -1.132 1.00 0.14 H new ATOM 0 HB3 LEU A 64 8.975 -13.658 0.527 1.00 0.14 H new ATOM 0 HG LEU A 64 7.534 -15.680 0.027 1.00 21.04 H new ATOM 0 HD11 LEU A 64 6.242 -15.527 2.120 1.00 73.22 H new ATOM 0 HD12 LEU A 64 7.909 -14.935 2.313 1.00 73.22 H new ATOM 0 HD13 LEU A 64 6.564 -13.777 2.181 1.00 73.22 H new ATOM 0 HD21 LEU A 64 5.079 -15.327 -0.039 1.00 73.03 H new ATOM 0 HD22 LEU A 64 5.345 -13.569 -0.115 1.00 73.03 H new ATOM 0 HD23 LEU A 64 5.894 -14.611 -1.450 1.00 73.03 H new ATOM 1028 N ILE A 65 8.457 -10.986 1.802 1.00 44.45 N ATOM 1029 CA ILE A 65 8.415 -10.332 3.116 1.00 51.14 C ATOM 1030 C ILE A 65 8.001 -8.854 2.988 1.00 11.53 C ATOM 1031 O ILE A 65 7.316 -8.305 3.856 1.00 53.44 O ATOM 1032 CB ILE A 65 9.796 -10.415 3.818 1.00 51.10 C ATOM 1033 CG1 ILE A 65 10.251 -11.880 3.951 1.00 21.13 C ATOM 1034 CG2 ILE A 65 9.753 -9.739 5.191 1.00 53.42 C ATOM 1035 CD1 ILE A 65 9.332 -12.743 4.795 1.00 5.51 C ATOM 0 H ILE A 65 9.359 -10.916 1.330 1.00 44.45 H new ATOM 0 HA ILE A 65 7.673 -10.858 3.716 1.00 51.14 H new ATOM 0 HB ILE A 65 10.521 -9.884 3.201 1.00 51.10 H new ATOM 0 HG12 ILE A 65 10.328 -12.317 2.955 1.00 21.13 H new ATOM 0 HG13 ILE A 65 11.250 -11.900 4.386 1.00 21.13 H new ATOM 0 HG21 ILE A 65 10.733 -9.811 5.663 1.00 53.42 H new ATOM 0 HG22 ILE A 65 9.484 -8.690 5.072 1.00 53.42 H new ATOM 0 HG23 ILE A 65 9.012 -10.235 5.818 1.00 53.42 H new ATOM 0 HD11 ILE A 65 9.725 -13.759 4.838 1.00 5.51 H new ATOM 0 HD12 ILE A 65 9.274 -12.334 5.804 1.00 5.51 H new ATOM 0 HD13 ILE A 65 8.337 -12.757 4.351 1.00 5.51 H new ATOM 1047 N THR A 66 8.416 -8.221 1.893 1.00 21.03 N ATOM 1048 CA THR A 66 8.181 -6.786 1.677 1.00 51.12 C ATOM 1049 C THR A 66 6.810 -6.504 1.042 1.00 44.22 C ATOM 1050 O THR A 66 6.015 -5.731 1.578 1.00 3.21 O ATOM 1051 CB THR A 66 9.265 -6.171 0.760 1.00 2.42 C ATOM 1052 OG1 THR A 66 10.567 -6.626 1.150 1.00 35.31 O ATOM 1053 CG2 THR A 66 9.225 -4.647 0.813 1.00 30.33 C ATOM 0 H THR A 66 8.921 -8.679 1.134 1.00 21.03 H new ATOM 0 HA THR A 66 8.217 -6.331 2.667 1.00 51.12 H new ATOM 0 HB THR A 66 9.059 -6.493 -0.261 1.00 2.42 H new ATOM 0 HG1 THR A 66 11.106 -6.801 0.350 1.00 35.31 H new ATOM 0 HG21 THR A 66 9.997 -4.240 0.160 1.00 30.33 H new ATOM 0 HG22 THR A 66 8.247 -4.297 0.482 1.00 30.33 H new ATOM 0 HG23 THR A 66 9.402 -4.314 1.836 1.00 30.33 H new ATOM 1061 N GLY A 67 6.546 -7.126 -0.107 1.00 25.54 N ATOM 1062 CA GLY A 67 5.330 -6.843 -0.865 1.00 73.05 C ATOM 1063 C GLY A 67 4.147 -7.741 -0.502 1.00 2.02 C ATOM 1064 O GLY A 67 4.107 -8.331 0.578 1.00 64.30 O ATOM 0 H GLY A 67 7.155 -7.826 -0.531 1.00 25.54 H new ATOM 0 HA2 GLY A 67 5.047 -5.803 -0.702 1.00 73.05 H new ATOM 0 HA3 GLY A 67 5.543 -6.953 -1.928 1.00 73.05 H new ATOM 1068 N GLU A 68 3.180 -7.844 -1.421 1.00 51.20 N ATOM 1069 CA GLU A 68 1.934 -8.588 -1.177 1.00 3.35 C ATOM 1070 C GLU A 68 1.585 -9.518 -2.356 1.00 72.33 C ATOM 1071 O GLU A 68 1.047 -9.064 -3.369 1.00 52.43 O ATOM 1072 CB GLU A 68 0.774 -7.597 -0.974 1.00 52.44 C ATOM 1073 CG GLU A 68 1.007 -6.551 0.114 1.00 11.21 C ATOM 1074 CD GLU A 68 0.828 -7.093 1.524 1.00 54.03 C ATOM 1075 OE1 GLU A 68 -0.295 -7.542 1.852 1.00 61.02 O ATOM 1076 OE2 GLU A 68 1.786 -7.026 2.322 1.00 32.43 O ATOM 0 H GLU A 68 3.235 -7.419 -2.347 1.00 51.20 H new ATOM 0 HA GLU A 68 2.083 -9.198 -0.286 1.00 3.35 H new ATOM 0 HB2 GLU A 68 0.584 -7.084 -1.917 1.00 52.44 H new ATOM 0 HB3 GLU A 68 -0.127 -8.160 -0.730 1.00 52.44 H new ATOM 0 HG2 GLU A 68 2.016 -6.151 0.012 1.00 11.21 H new ATOM 0 HG3 GLU A 68 0.318 -5.720 -0.038 1.00 11.21 H new ATOM 1083 N PHE A 69 1.900 -10.810 -2.229 1.00 73.24 N ATOM 1084 CA PHE A 69 1.508 -11.806 -3.244 1.00 13.04 C ATOM 1085 C PHE A 69 1.592 -13.245 -2.700 1.00 52.24 C ATOM 1086 O PHE A 69 2.606 -13.654 -2.133 1.00 22.14 O ATOM 1087 CB PHE A 69 2.357 -11.666 -4.525 1.00 71.25 C ATOM 1088 CG PHE A 69 3.831 -11.958 -4.348 1.00 35.21 C ATOM 1089 CD1 PHE A 69 4.651 -11.061 -3.678 1.00 22.33 C ATOM 1090 CD2 PHE A 69 4.398 -13.124 -4.860 1.00 64.31 C ATOM 1091 CE1 PHE A 69 5.997 -11.317 -3.519 1.00 53.45 C ATOM 1092 CE2 PHE A 69 5.747 -13.379 -4.698 1.00 34.31 C ATOM 1093 CZ PHE A 69 6.546 -12.476 -4.027 1.00 50.11 C ATOM 0 H PHE A 69 2.422 -11.194 -1.441 1.00 73.24 H new ATOM 0 HA PHE A 69 0.467 -11.605 -3.496 1.00 13.04 H new ATOM 0 HB2 PHE A 69 1.957 -12.339 -5.284 1.00 71.25 H new ATOM 0 HB3 PHE A 69 2.246 -10.651 -4.908 1.00 71.25 H new ATOM 0 HD1 PHE A 69 4.230 -10.151 -3.276 1.00 22.33 H new ATOM 0 HD2 PHE A 69 3.778 -13.834 -5.388 1.00 64.31 H new ATOM 0 HE1 PHE A 69 6.622 -10.609 -2.996 1.00 53.45 H new ATOM 0 HE2 PHE A 69 6.176 -14.286 -5.097 1.00 34.31 H new ATOM 0 HZ PHE A 69 7.600 -12.676 -3.900 1.00 50.11 H new ATOM 1103 N ASP A 70 0.509 -14.000 -2.875 1.00 32.04 N ATOM 1104 CA ASP A 70 0.438 -15.393 -2.418 1.00 70.20 C ATOM 1105 C ASP A 70 0.006 -16.328 -3.572 1.00 74.25 C ATOM 1106 O ASP A 70 -0.944 -16.027 -4.304 1.00 13.24 O ATOM 1107 CB ASP A 70 -0.546 -15.490 -1.243 1.00 42.55 C ATOM 1108 CG ASP A 70 -0.576 -16.867 -0.602 1.00 45.14 C ATOM 1109 OD1 ASP A 70 -1.271 -17.755 -1.130 1.00 73.31 O ATOM 1110 OD2 ASP A 70 0.083 -17.063 0.439 1.00 41.41 O ATOM 0 H ASP A 70 -0.340 -13.670 -3.334 1.00 32.04 H new ATOM 0 HA ASP A 70 1.426 -15.712 -2.087 1.00 70.20 H new ATOM 0 HB2 ASP A 70 -0.276 -14.751 -0.489 1.00 42.55 H new ATOM 0 HB3 ASP A 70 -1.547 -15.237 -1.593 1.00 42.55 H new ATOM 1115 N PRO A 71 0.688 -17.486 -3.744 1.00 33.42 N ATOM 1116 CA PRO A 71 0.430 -18.408 -4.874 1.00 32.32 C ATOM 1117 C PRO A 71 -0.937 -19.120 -4.811 1.00 21.42 C ATOM 1118 O PRO A 71 -1.372 -19.729 -5.791 1.00 72.34 O ATOM 1119 CB PRO A 71 1.571 -19.429 -4.758 1.00 62.23 C ATOM 1120 CG PRO A 71 1.933 -19.419 -3.311 1.00 31.32 C ATOM 1121 CD PRO A 71 1.759 -17.992 -2.859 1.00 13.14 C ATOM 0 HA PRO A 71 0.397 -17.866 -5.819 1.00 32.32 H new ATOM 0 HB2 PRO A 71 1.252 -20.420 -5.081 1.00 62.23 H new ATOM 0 HB3 PRO A 71 2.420 -19.149 -5.382 1.00 62.23 H new ATOM 0 HG2 PRO A 71 1.291 -20.091 -2.742 1.00 31.32 H new ATOM 0 HG3 PRO A 71 2.959 -19.755 -3.161 1.00 31.32 H new ATOM 0 HD2 PRO A 71 1.474 -17.934 -1.808 1.00 13.14 H new ATOM 0 HD3 PRO A 71 2.679 -17.419 -2.972 1.00 13.14 H new ATOM 1129 N LYS A 72 -1.609 -19.056 -3.665 1.00 53.45 N ATOM 1130 CA LYS A 72 -2.919 -19.704 -3.505 1.00 2.33 C ATOM 1131 C LYS A 72 -4.071 -18.776 -3.935 1.00 4.22 C ATOM 1132 O LYS A 72 -5.205 -19.222 -4.115 1.00 71.11 O ATOM 1133 CB LYS A 72 -3.117 -20.147 -2.048 1.00 61.13 C ATOM 1134 CG LYS A 72 -2.010 -21.061 -1.523 1.00 73.24 C ATOM 1135 CD LYS A 72 -1.945 -22.393 -2.274 1.00 34.21 C ATOM 1136 CE LYS A 72 -3.205 -23.227 -2.066 1.00 41.32 C ATOM 1137 NZ LYS A 72 -3.154 -24.506 -2.823 1.00 52.20 N ATOM 0 H LYS A 72 -1.276 -18.566 -2.835 1.00 53.45 H new ATOM 0 HA LYS A 72 -2.936 -20.579 -4.155 1.00 2.33 H new ATOM 0 HB2 LYS A 72 -3.175 -19.262 -1.414 1.00 61.13 H new ATOM 0 HB3 LYS A 72 -4.073 -20.664 -1.962 1.00 61.13 H new ATOM 0 HG2 LYS A 72 -1.050 -20.551 -1.610 1.00 73.24 H new ATOM 0 HG3 LYS A 72 -2.174 -21.253 -0.463 1.00 73.24 H new ATOM 0 HD2 LYS A 72 -1.807 -22.203 -3.338 1.00 34.21 H new ATOM 0 HD3 LYS A 72 -1.076 -22.958 -1.936 1.00 34.21 H new ATOM 0 HE2 LYS A 72 -3.329 -23.438 -1.004 1.00 41.32 H new ATOM 0 HE3 LYS A 72 -4.076 -22.653 -2.381 1.00 41.32 H new ATOM 0 HZ1 LYS A 72 -4.028 -25.044 -2.655 1.00 52.20 H new ATOM 0 HZ2 LYS A 72 -3.061 -24.305 -3.839 1.00 52.20 H new ATOM 0 HZ3 LYS A 72 -2.337 -25.065 -2.505 1.00 52.20 H new ATOM 1151 N LEU A 73 -3.774 -17.489 -4.110 1.00 65.33 N ATOM 1152 CA LEU A 73 -4.795 -16.493 -4.484 1.00 61.23 C ATOM 1153 C LEU A 73 -4.933 -16.327 -6.010 1.00 75.33 C ATOM 1154 O LEU A 73 -5.497 -15.336 -6.483 1.00 70.02 O ATOM 1155 CB LEU A 73 -4.473 -15.134 -3.834 1.00 74.32 C ATOM 1156 CG LEU A 73 -4.875 -14.985 -2.352 1.00 70.43 C ATOM 1157 CD1 LEU A 73 -6.389 -15.088 -2.189 1.00 4.34 C ATOM 1158 CD2 LEU A 73 -4.168 -16.019 -1.478 1.00 31.11 C ATOM 0 H LEU A 73 -2.836 -17.105 -4.000 1.00 65.33 H new ATOM 0 HA LEU A 73 -5.751 -16.863 -4.114 1.00 61.23 H new ATOM 0 HB2 LEU A 73 -3.401 -14.957 -3.919 1.00 74.32 H new ATOM 0 HB3 LEU A 73 -4.972 -14.352 -4.406 1.00 74.32 H new ATOM 0 HG LEU A 73 -4.559 -13.996 -2.021 1.00 70.43 H new ATOM 0 HD11 LEU A 73 -6.650 -14.980 -1.136 1.00 4.34 H new ATOM 0 HD12 LEU A 73 -6.872 -14.298 -2.765 1.00 4.34 H new ATOM 0 HD13 LEU A 73 -6.728 -16.059 -2.549 1.00 4.34 H new ATOM 0 HD21 LEU A 73 -4.473 -15.887 -0.440 1.00 31.11 H new ATOM 0 HD22 LEU A 73 -4.437 -17.022 -1.811 1.00 31.11 H new ATOM 0 HD23 LEU A 73 -3.089 -15.887 -1.559 1.00 31.11 H new ATOM 1170 N LEU A 74 -4.444 -17.301 -6.777 1.00 0.15 N ATOM 1171 CA LEU A 74 -4.548 -17.261 -8.246 1.00 71.01 C ATOM 1172 C LEU A 74 -5.290 -18.494 -8.808 1.00 41.31 C ATOM 1173 O LEU A 74 -5.328 -19.556 -8.172 1.00 54.13 O ATOM 1174 CB LEU A 74 -3.142 -17.111 -8.876 1.00 5.43 C ATOM 1175 CG LEU A 74 -2.061 -18.111 -8.406 1.00 31.21 C ATOM 1176 CD1 LEU A 74 -2.253 -19.490 -9.040 1.00 41.23 C ATOM 1177 CD2 LEU A 74 -0.664 -17.575 -8.710 1.00 72.24 C ATOM 0 H LEU A 74 -3.972 -18.128 -6.412 1.00 0.15 H new ATOM 0 HA LEU A 74 -5.144 -16.390 -8.517 1.00 71.01 H new ATOM 0 HB2 LEU A 74 -3.242 -17.202 -9.958 1.00 5.43 H new ATOM 0 HB3 LEU A 74 -2.784 -16.102 -8.672 1.00 5.43 H new ATOM 0 HG LEU A 74 -2.167 -18.225 -7.327 1.00 31.21 H new ATOM 0 HD11 LEU A 74 -1.474 -20.165 -8.685 1.00 41.23 H new ATOM 0 HD12 LEU A 74 -3.230 -19.885 -8.762 1.00 41.23 H new ATOM 0 HD13 LEU A 74 -2.192 -19.403 -10.125 1.00 41.23 H new ATOM 0 HD21 LEU A 74 0.083 -18.293 -8.372 1.00 72.24 H new ATOM 0 HD22 LEU A 74 -0.559 -17.421 -9.784 1.00 72.24 H new ATOM 0 HD23 LEU A 74 -0.517 -16.627 -8.192 1.00 72.24 H new ATOM 1189 N PRO A 75 -5.907 -18.363 -10.007 1.00 61.20 N ATOM 1190 CA PRO A 75 -6.622 -19.476 -10.661 1.00 65.43 C ATOM 1191 C PRO A 75 -5.675 -20.528 -11.272 1.00 72.43 C ATOM 1192 O PRO A 75 -4.501 -20.248 -11.537 1.00 34.14 O ATOM 1193 CB PRO A 75 -7.431 -18.768 -11.755 1.00 71.04 C ATOM 1194 CG PRO A 75 -6.622 -17.562 -12.098 1.00 54.33 C ATOM 1195 CD PRO A 75 -5.968 -17.122 -10.812 1.00 14.43 C ATOM 0 HA PRO A 75 -7.228 -20.042 -9.954 1.00 65.43 H new ATOM 0 HB2 PRO A 75 -7.572 -19.411 -12.623 1.00 71.04 H new ATOM 0 HB3 PRO A 75 -8.423 -18.492 -11.399 1.00 71.04 H new ATOM 0 HG2 PRO A 75 -5.874 -17.796 -12.856 1.00 54.33 H new ATOM 0 HG3 PRO A 75 -7.253 -16.772 -12.506 1.00 54.33 H new ATOM 0 HD2 PRO A 75 -4.974 -16.710 -10.989 1.00 14.43 H new ATOM 0 HD3 PRO A 75 -6.550 -16.348 -10.311 1.00 14.43 H new ATOM 1203 N TYR A 76 -6.189 -21.737 -11.505 1.00 63.32 N ATOM 1204 CA TYR A 76 -5.359 -22.839 -12.005 1.00 3.12 C ATOM 1205 C TYR A 76 -5.140 -22.768 -13.525 1.00 55.22 C ATOM 1206 O TYR A 76 -5.976 -23.219 -14.312 1.00 32.55 O ATOM 1207 CB TYR A 76 -5.994 -24.189 -11.646 1.00 24.22 C ATOM 1208 CG TYR A 76 -6.080 -24.459 -10.155 1.00 24.45 C ATOM 1209 CD1 TYR A 76 -7.170 -24.024 -9.411 1.00 14.21 C ATOM 1210 CD2 TYR A 76 -5.075 -25.160 -9.496 1.00 64.51 C ATOM 1211 CE1 TYR A 76 -7.257 -24.277 -8.056 1.00 54.41 C ATOM 1212 CE2 TYR A 76 -5.157 -25.419 -8.142 1.00 74.52 C ATOM 1213 CZ TYR A 76 -6.249 -24.976 -7.427 1.00 4.44 C ATOM 1214 OH TYR A 76 -6.337 -25.236 -6.079 1.00 22.13 O ATOM 0 H TYR A 76 -7.169 -21.979 -11.357 1.00 63.32 H new ATOM 0 HA TYR A 76 -4.386 -22.743 -11.524 1.00 3.12 H new ATOM 0 HB2 TYR A 76 -6.997 -24.230 -12.070 1.00 24.22 H new ATOM 0 HB3 TYR A 76 -5.417 -24.986 -12.115 1.00 24.22 H new ATOM 0 HD1 TYR A 76 -7.963 -23.479 -9.901 1.00 14.21 H new ATOM 0 HD2 TYR A 76 -4.217 -25.507 -10.052 1.00 64.51 H new ATOM 0 HE1 TYR A 76 -8.110 -23.929 -7.492 1.00 54.41 H new ATOM 0 HE2 TYR A 76 -4.369 -25.966 -7.646 1.00 74.52 H new ATOM 0 HH TYR A 76 -5.547 -25.739 -5.791 1.00 22.13 H new ATOM 1224 N ASP A 77 -4.020 -22.179 -13.922 1.00 2.04 N ATOM 1225 CA ASP A 77 -3.523 -22.271 -15.297 1.00 55.31 C ATOM 1226 C ASP A 77 -2.118 -22.891 -15.305 1.00 55.32 C ATOM 1227 O ASP A 77 -1.180 -22.314 -14.759 1.00 31.22 O ATOM 1228 CB ASP A 77 -3.528 -20.896 -15.969 1.00 33.22 C ATOM 1229 CG ASP A 77 -4.931 -20.464 -16.362 1.00 73.02 C ATOM 1230 OD1 ASP A 77 -5.625 -19.833 -15.539 1.00 63.33 O ATOM 1231 OD2 ASP A 77 -5.351 -20.774 -17.498 1.00 22.45 O ATOM 0 H ASP A 77 -3.428 -21.624 -13.304 1.00 2.04 H new ATOM 0 HA ASP A 77 -4.187 -22.918 -15.870 1.00 55.31 H new ATOM 0 HB2 ASP A 77 -3.097 -20.159 -15.291 1.00 33.22 H new ATOM 0 HB3 ASP A 77 -2.894 -20.923 -16.855 1.00 33.22 H new ATOM 1236 N LYS A 78 -1.982 -24.057 -15.931 1.00 11.10 N ATOM 1237 CA LYS A 78 -0.761 -24.872 -15.830 1.00 34.11 C ATOM 1238 C LYS A 78 0.525 -24.076 -16.149 1.00 22.21 C ATOM 1239 O LYS A 78 1.403 -23.940 -15.298 1.00 74.22 O ATOM 1240 CB LYS A 78 -0.879 -26.095 -16.753 1.00 1.14 C ATOM 1241 CG LYS A 78 0.084 -27.230 -16.412 1.00 52.14 C ATOM 1242 CD LYS A 78 -0.162 -28.466 -17.278 1.00 72.01 C ATOM 1243 CE LYS A 78 -1.611 -28.952 -17.192 1.00 73.10 C ATOM 1244 NZ LYS A 78 -2.012 -29.291 -15.800 1.00 2.21 N ATOM 0 H LYS A 78 -2.706 -24.467 -16.520 1.00 11.10 H new ATOM 0 HA LYS A 78 -0.673 -25.195 -14.793 1.00 34.11 H new ATOM 0 HB2 LYS A 78 -1.900 -26.474 -16.708 1.00 1.14 H new ATOM 0 HB3 LYS A 78 -0.702 -25.779 -17.781 1.00 1.14 H new ATOM 0 HG2 LYS A 78 1.110 -26.889 -16.549 1.00 52.14 H new ATOM 0 HG3 LYS A 78 -0.026 -27.496 -15.361 1.00 52.14 H new ATOM 0 HD2 LYS A 78 0.081 -28.235 -18.315 1.00 72.01 H new ATOM 0 HD3 LYS A 78 0.507 -29.267 -16.964 1.00 72.01 H new ATOM 0 HE2 LYS A 78 -2.274 -28.180 -17.581 1.00 73.10 H new ATOM 0 HE3 LYS A 78 -1.736 -29.829 -17.827 1.00 73.10 H new ATOM 0 HZ1 LYS A 78 -2.964 -29.710 -15.805 1.00 2.21 H new ATOM 0 HZ2 LYS A 78 -1.336 -29.973 -15.400 1.00 2.21 H new ATOM 0 HZ3 LYS A 78 -2.017 -28.428 -15.220 1.00 2.21 H new ATOM 1258 N ARG A 79 0.630 -23.546 -17.368 1.00 42.51 N ATOM 1259 CA ARG A 79 1.833 -22.801 -17.787 1.00 3.15 C ATOM 1260 C ARG A 79 2.008 -21.482 -17.009 1.00 15.02 C ATOM 1261 O ARG A 79 3.128 -21.113 -16.620 1.00 72.34 O ATOM 1262 CB ARG A 79 1.785 -22.518 -19.298 1.00 74.52 C ATOM 1263 CG ARG A 79 1.989 -23.763 -20.155 1.00 52.34 C ATOM 1264 CD ARG A 79 1.908 -23.459 -21.648 1.00 35.50 C ATOM 1265 NE ARG A 79 2.312 -24.610 -22.455 1.00 15.35 N ATOM 1266 CZ ARG A 79 1.484 -25.427 -23.046 1.00 21.55 C ATOM 1267 NH1 ARG A 79 0.202 -25.235 -22.985 1.00 34.12 N ATOM 1268 NH2 ARG A 79 1.942 -26.435 -23.713 1.00 10.31 N ATOM 0 H ARG A 79 -0.094 -23.614 -18.083 1.00 42.51 H new ATOM 0 HA ARG A 79 2.694 -23.429 -17.559 1.00 3.15 H new ATOM 0 HB2 ARG A 79 0.823 -22.069 -19.546 1.00 74.52 H new ATOM 0 HB3 ARG A 79 2.552 -21.785 -19.547 1.00 74.52 H new ATOM 0 HG2 ARG A 79 2.961 -24.202 -19.928 1.00 52.34 H new ATOM 0 HG3 ARG A 79 1.235 -24.507 -19.897 1.00 52.34 H new ATOM 0 HD2 ARG A 79 0.889 -23.172 -21.907 1.00 35.50 H new ATOM 0 HD3 ARG A 79 2.547 -22.608 -21.882 1.00 35.50 H new ATOM 0 HE ARG A 79 3.311 -24.786 -22.563 1.00 15.35 H new ATOM 0 HH11 ARG A 79 -0.170 -24.437 -22.470 1.00 34.12 H new ATOM 0 HH12 ARG A 79 -0.433 -25.882 -23.452 1.00 34.12 H new ATOM 0 HH21 ARG A 79 2.948 -26.590 -23.776 1.00 10.31 H new ATOM 0 HH22 ARG A 79 1.297 -27.075 -24.176 1.00 10.31 H new ATOM 1282 N LEU A 80 0.901 -20.780 -16.785 1.00 65.53 N ATOM 1283 CA LEU A 80 0.920 -19.490 -16.082 1.00 42.22 C ATOM 1284 C LEU A 80 1.416 -19.656 -14.636 1.00 63.03 C ATOM 1285 O LEU A 80 2.433 -19.075 -14.238 1.00 60.13 O ATOM 1286 CB LEU A 80 -0.481 -18.843 -16.083 1.00 74.44 C ATOM 1287 CG LEU A 80 -1.016 -18.356 -17.448 1.00 13.43 C ATOM 1288 CD1 LEU A 80 -0.092 -17.307 -18.055 1.00 2.42 C ATOM 1289 CD2 LEU A 80 -1.220 -19.521 -18.415 1.00 73.23 C ATOM 0 H LEU A 80 -0.028 -21.080 -17.080 1.00 65.53 H new ATOM 0 HA LEU A 80 1.611 -18.836 -16.614 1.00 42.22 H new ATOM 0 HB2 LEU A 80 -1.190 -19.564 -15.677 1.00 74.44 H new ATOM 0 HB3 LEU A 80 -0.465 -17.993 -15.400 1.00 74.44 H new ATOM 0 HG LEU A 80 -1.988 -17.894 -17.273 1.00 13.43 H new ATOM 0 HD11 LEU A 80 -0.492 -16.982 -19.015 1.00 2.42 H new ATOM 0 HD12 LEU A 80 -0.021 -16.452 -17.383 1.00 2.42 H new ATOM 0 HD13 LEU A 80 0.899 -17.736 -18.202 1.00 2.42 H new ATOM 0 HD21 LEU A 80 -1.597 -19.143 -19.365 1.00 73.23 H new ATOM 0 HD22 LEU A 80 -0.270 -20.029 -18.578 1.00 73.23 H new ATOM 0 HD23 LEU A 80 -1.939 -20.223 -17.993 1.00 73.23 H new ATOM 1301 N ALA A 81 0.695 -20.470 -13.867 1.00 32.02 N ATOM 1302 CA ALA A 81 1.041 -20.739 -12.470 1.00 4.54 C ATOM 1303 C ALA A 81 2.449 -21.331 -12.341 1.00 23.12 C ATOM 1304 O ALA A 81 3.170 -21.013 -11.402 1.00 54.41 O ATOM 1305 CB ALA A 81 0.014 -21.676 -11.840 1.00 23.51 C ATOM 0 H ALA A 81 -0.140 -20.959 -14.190 1.00 32.02 H new ATOM 0 HA ALA A 81 1.030 -19.788 -11.937 1.00 4.54 H new ATOM 0 HB1 ALA A 81 0.284 -21.867 -10.801 1.00 23.51 H new ATOM 0 HB2 ALA A 81 -0.972 -21.214 -11.879 1.00 23.51 H new ATOM 0 HB3 ALA A 81 -0.005 -22.617 -12.389 1.00 23.51 H new ATOM 1311 N TRP A 82 2.832 -22.188 -13.292 1.00 13.31 N ATOM 1312 CA TRP A 82 4.177 -22.778 -13.314 1.00 41.34 C ATOM 1313 C TRP A 82 5.274 -21.699 -13.281 1.00 73.43 C ATOM 1314 O TRP A 82 6.192 -21.759 -12.463 1.00 34.44 O ATOM 1315 CB TRP A 82 4.354 -23.664 -14.559 1.00 51.51 C ATOM 1316 CG TRP A 82 5.734 -24.241 -14.699 1.00 64.03 C ATOM 1317 CD1 TRP A 82 6.732 -23.797 -15.521 1.00 4.24 C ATOM 1318 CD2 TRP A 82 6.271 -25.364 -13.988 1.00 71.12 C ATOM 1319 NE1 TRP A 82 7.850 -24.577 -15.367 1.00 63.52 N ATOM 1320 CE2 TRP A 82 7.594 -25.544 -14.430 1.00 13.41 C ATOM 1321 CE3 TRP A 82 5.760 -26.233 -13.017 1.00 54.05 C ATOM 1322 CZ2 TRP A 82 8.413 -26.559 -13.938 1.00 0.43 C ATOM 1323 CZ3 TRP A 82 6.572 -27.241 -12.531 1.00 14.44 C ATOM 1324 CH2 TRP A 82 7.888 -27.395 -12.990 1.00 43.40 C ATOM 0 H TRP A 82 2.230 -22.490 -14.058 1.00 13.31 H new ATOM 0 HA TRP A 82 4.279 -23.389 -12.417 1.00 41.34 H new ATOM 0 HB2 TRP A 82 3.631 -24.479 -14.520 1.00 51.51 H new ATOM 0 HB3 TRP A 82 4.124 -23.077 -15.448 1.00 51.51 H new ATOM 0 HD1 TRP A 82 6.652 -22.955 -16.193 1.00 4.24 H new ATOM 0 HE1 TRP A 82 8.730 -24.457 -15.869 1.00 63.52 H new ATOM 0 HE3 TRP A 82 4.749 -26.118 -12.654 1.00 54.05 H new ATOM 0 HZ2 TRP A 82 9.426 -26.681 -14.292 1.00 0.43 H new ATOM 0 HZ3 TRP A 82 6.186 -27.921 -11.786 1.00 14.44 H new ATOM 0 HH2 TRP A 82 8.499 -28.189 -12.587 1.00 43.40 H new ATOM 1335 N HIS A 83 5.174 -20.707 -14.169 1.00 33.05 N ATOM 1336 CA HIS A 83 6.198 -19.659 -14.246 1.00 55.11 C ATOM 1337 C HIS A 83 6.222 -18.779 -12.984 1.00 21.12 C ATOM 1338 O HIS A 83 7.278 -18.585 -12.385 1.00 14.44 O ATOM 1339 CB HIS A 83 6.012 -18.812 -15.510 1.00 4.23 C ATOM 1340 CG HIS A 83 6.537 -19.488 -16.742 1.00 25.31 C ATOM 1341 ND1 HIS A 83 5.920 -20.571 -17.339 1.00 71.25 N ATOM 1342 CD2 HIS A 83 7.655 -19.254 -17.467 1.00 1.32 C ATOM 1343 CE1 HIS A 83 6.638 -20.969 -18.373 1.00 24.54 C ATOM 1344 NE2 HIS A 83 7.693 -20.188 -18.473 1.00 75.24 N ATOM 0 H HIS A 83 4.408 -20.606 -14.835 1.00 33.05 H new ATOM 0 HA HIS A 83 7.167 -20.154 -14.304 1.00 55.11 H new ATOM 0 HB2 HIS A 83 4.952 -18.594 -15.644 1.00 4.23 H new ATOM 0 HB3 HIS A 83 6.520 -17.856 -15.380 1.00 4.23 H new ATOM 0 HD1 HIS A 83 5.046 -20.996 -17.029 1.00 71.25 H new ATOM 0 HD2 HIS A 83 8.383 -18.477 -17.288 1.00 1.32 H new ATOM 0 HE1 HIS A 83 6.400 -21.795 -19.026 1.00 24.54 H new ATOM 1353 N PHE A 84 5.064 -18.259 -12.576 1.00 43.42 N ATOM 1354 CA PHE A 84 4.974 -17.448 -11.349 1.00 12.40 C ATOM 1355 C PHE A 84 5.476 -18.239 -10.121 1.00 62.11 C ATOM 1356 O PHE A 84 6.232 -17.721 -9.297 1.00 63.13 O ATOM 1357 CB PHE A 84 3.530 -16.959 -11.138 1.00 33.23 C ATOM 1358 CG PHE A 84 3.123 -15.836 -12.072 1.00 41.34 C ATOM 1359 CD1 PHE A 84 3.099 -16.017 -13.453 1.00 52.15 C ATOM 1360 CD2 PHE A 84 2.762 -14.594 -11.563 1.00 12.03 C ATOM 1361 CE1 PHE A 84 2.726 -14.987 -14.296 1.00 31.23 C ATOM 1362 CE2 PHE A 84 2.389 -13.563 -12.405 1.00 25.33 C ATOM 1363 CZ PHE A 84 2.371 -13.760 -13.772 1.00 14.52 C ATOM 0 H PHE A 84 4.179 -18.380 -13.068 1.00 43.42 H new ATOM 0 HA PHE A 84 5.619 -16.577 -11.465 1.00 12.40 H new ATOM 0 HB2 PHE A 84 2.848 -17.798 -11.275 1.00 33.23 H new ATOM 0 HB3 PHE A 84 3.417 -16.621 -10.108 1.00 33.23 H new ATOM 0 HD1 PHE A 84 3.375 -16.974 -13.870 1.00 52.15 H new ATOM 0 HD2 PHE A 84 2.773 -14.432 -10.495 1.00 12.03 H new ATOM 0 HE1 PHE A 84 2.712 -15.142 -15.365 1.00 31.23 H new ATOM 0 HE2 PHE A 84 2.112 -12.604 -11.994 1.00 25.33 H new ATOM 0 HZ PHE A 84 2.080 -12.955 -14.430 1.00 14.52 H new ATOM 1373 N LYS A 85 5.049 -19.496 -10.022 1.00 42.14 N ATOM 1374 CA LYS A 85 5.577 -20.448 -9.029 1.00 70.13 C ATOM 1375 C LYS A 85 7.113 -20.403 -8.951 1.00 73.24 C ATOM 1376 O LYS A 85 7.677 -20.108 -7.898 1.00 75.42 O ATOM 1377 CB LYS A 85 5.115 -21.872 -9.387 1.00 34.22 C ATOM 1378 CG LYS A 85 5.898 -22.992 -8.705 1.00 13.42 C ATOM 1379 CD LYS A 85 5.440 -24.366 -9.191 1.00 4.10 C ATOM 1380 CE LYS A 85 6.302 -25.492 -8.629 1.00 62.12 C ATOM 1381 NZ LYS A 85 7.706 -25.428 -9.119 1.00 53.34 N ATOM 0 H LYS A 85 4.327 -19.890 -10.625 1.00 42.14 H new ATOM 0 HA LYS A 85 5.189 -20.163 -8.051 1.00 70.13 H new ATOM 0 HB2 LYS A 85 4.062 -21.973 -9.125 1.00 34.22 H new ATOM 0 HB3 LYS A 85 5.189 -22.002 -10.467 1.00 34.22 H new ATOM 0 HG2 LYS A 85 6.962 -22.869 -8.906 1.00 13.42 H new ATOM 0 HG3 LYS A 85 5.768 -22.924 -7.625 1.00 13.42 H new ATOM 0 HD2 LYS A 85 4.402 -24.525 -8.900 1.00 4.10 H new ATOM 0 HD3 LYS A 85 5.473 -24.394 -10.280 1.00 4.10 H new ATOM 0 HE2 LYS A 85 6.297 -25.441 -7.540 1.00 62.12 H new ATOM 0 HE3 LYS A 85 5.867 -26.452 -8.905 1.00 62.12 H new ATOM 0 HZ1 LYS A 85 8.193 -26.320 -8.895 1.00 53.34 H new ATOM 0 HZ2 LYS A 85 7.708 -25.281 -10.149 1.00 53.34 H new ATOM 0 HZ3 LYS A 85 8.200 -24.639 -8.656 1.00 53.34 H new ATOM 1395 N GLU A 86 7.778 -20.693 -10.068 1.00 34.30 N ATOM 1396 CA GLU A 86 9.247 -20.711 -10.111 1.00 31.41 C ATOM 1397 C GLU A 86 9.853 -19.335 -9.785 1.00 42.54 C ATOM 1398 O GLU A 86 10.931 -19.253 -9.189 1.00 44.21 O ATOM 1399 CB GLU A 86 9.739 -21.227 -11.478 1.00 72.32 C ATOM 1400 CG GLU A 86 10.373 -22.619 -11.422 1.00 21.35 C ATOM 1401 CD GLU A 86 9.513 -23.640 -10.685 1.00 33.23 C ATOM 1402 OE1 GLU A 86 8.609 -24.235 -11.307 1.00 44.35 O ATOM 1403 OE2 GLU A 86 9.742 -23.856 -9.473 1.00 43.23 O ATOM 0 H GLU A 86 7.328 -20.919 -10.955 1.00 34.30 H new ATOM 0 HA GLU A 86 9.591 -21.397 -9.337 1.00 31.41 H new ATOM 0 HB2 GLU A 86 8.898 -21.249 -12.171 1.00 72.32 H new ATOM 0 HB3 GLU A 86 10.467 -20.523 -11.881 1.00 72.32 H new ATOM 0 HG2 GLU A 86 10.553 -22.971 -12.438 1.00 21.35 H new ATOM 0 HG3 GLU A 86 11.344 -22.550 -10.932 1.00 21.35 H new ATOM 1410 N PHE A 87 9.155 -18.261 -10.157 1.00 61.11 N ATOM 1411 CA PHE A 87 9.585 -16.904 -9.796 1.00 23.20 C ATOM 1412 C PHE A 87 9.614 -16.729 -8.266 1.00 62.14 C ATOM 1413 O PHE A 87 10.419 -15.969 -7.731 1.00 2.13 O ATOM 1414 CB PHE A 87 8.660 -15.843 -10.424 1.00 3.11 C ATOM 1415 CG PHE A 87 8.649 -15.815 -11.940 1.00 10.51 C ATOM 1416 CD1 PHE A 87 9.532 -16.590 -12.684 1.00 5.35 C ATOM 1417 CD2 PHE A 87 7.749 -15.004 -12.620 1.00 5.13 C ATOM 1418 CE1 PHE A 87 9.512 -16.558 -14.067 1.00 12.52 C ATOM 1419 CE2 PHE A 87 7.728 -14.969 -14.001 1.00 64.22 C ATOM 1420 CZ PHE A 87 8.610 -15.747 -14.725 1.00 4.14 C ATOM 0 H PHE A 87 8.295 -18.300 -10.704 1.00 61.11 H new ATOM 0 HA PHE A 87 10.592 -16.763 -10.188 1.00 23.20 H new ATOM 0 HB2 PHE A 87 7.643 -16.016 -10.072 1.00 3.11 H new ATOM 0 HB3 PHE A 87 8.960 -14.860 -10.060 1.00 3.11 H new ATOM 0 HD1 PHE A 87 10.242 -17.225 -12.176 1.00 5.35 H new ATOM 0 HD2 PHE A 87 7.056 -14.392 -12.061 1.00 5.13 H new ATOM 0 HE1 PHE A 87 10.202 -17.168 -14.631 1.00 12.52 H new ATOM 0 HE2 PHE A 87 7.022 -14.333 -14.514 1.00 64.22 H new ATOM 0 HZ PHE A 87 8.594 -15.721 -15.805 1.00 4.14 H new ATOM 1430 N CYS A 88 8.721 -17.439 -7.574 1.00 72.43 N ATOM 1431 CA CYS A 88 8.667 -17.420 -6.103 1.00 45.44 C ATOM 1432 C CYS A 88 9.484 -18.572 -5.488 1.00 75.44 C ATOM 1433 O CYS A 88 9.883 -18.511 -4.324 1.00 63.21 O ATOM 1434 CB CYS A 88 7.211 -17.532 -5.630 1.00 14.30 C ATOM 1435 SG CYS A 88 6.103 -16.279 -6.321 1.00 42.35 S ATOM 0 H CYS A 88 8.020 -18.039 -8.008 1.00 72.43 H new ATOM 0 HA CYS A 88 9.099 -16.476 -5.772 1.00 45.44 H new ATOM 0 HB2 CYS A 88 6.831 -18.520 -5.892 1.00 14.30 H new ATOM 0 HB3 CYS A 88 7.188 -17.460 -4.543 1.00 14.30 H new ATOM 0 HG CYS A 88 5.900 -16.527 -7.581 1.00 42.35 H new ATOM 1441 N TYR A 89 9.716 -19.622 -6.275 1.00 24.24 N ATOM 1442 CA TYR A 89 10.386 -20.837 -5.789 1.00 62.21 C ATOM 1443 C TYR A 89 11.909 -20.664 -5.682 1.00 4.44 C ATOM 1444 O TYR A 89 12.536 -21.196 -4.763 1.00 11.41 O ATOM 1445 CB TYR A 89 10.056 -22.017 -6.714 1.00 35.45 C ATOM 1446 CG TYR A 89 10.665 -23.343 -6.288 1.00 52.15 C ATOM 1447 CD1 TYR A 89 10.059 -24.123 -5.309 1.00 2.23 C ATOM 1448 CD2 TYR A 89 11.835 -23.823 -6.877 1.00 72.34 C ATOM 1449 CE1 TYR A 89 10.597 -25.337 -4.931 1.00 64.15 C ATOM 1450 CE2 TYR A 89 12.379 -25.037 -6.499 1.00 24.22 C ATOM 1451 CZ TYR A 89 11.755 -25.789 -5.527 1.00 2.21 C ATOM 1452 OH TYR A 89 12.285 -27.005 -5.153 1.00 32.33 O ATOM 0 H TYR A 89 9.449 -19.659 -7.259 1.00 24.24 H new ATOM 0 HA TYR A 89 10.013 -21.035 -4.784 1.00 62.21 H new ATOM 0 HB2 TYR A 89 8.973 -22.129 -6.766 1.00 35.45 H new ATOM 0 HB3 TYR A 89 10.401 -21.780 -7.721 1.00 35.45 H new ATOM 0 HD1 TYR A 89 9.153 -23.773 -4.837 1.00 2.23 H new ATOM 0 HD2 TYR A 89 12.324 -23.237 -7.641 1.00 72.34 H new ATOM 0 HE1 TYR A 89 10.112 -25.931 -4.170 1.00 64.15 H new ATOM 0 HE2 TYR A 89 13.287 -25.394 -6.963 1.00 24.22 H new ATOM 0 HH TYR A 89 13.101 -27.178 -5.668 1.00 32.33 H new ATOM 1462 N LYS A 90 12.505 -19.940 -6.627 1.00 11.32 N ATOM 1463 CA LYS A 90 13.960 -19.735 -6.641 1.00 23.24 C ATOM 1464 C LYS A 90 14.446 -18.947 -5.412 1.00 20.43 C ATOM 1465 O LYS A 90 14.190 -17.755 -5.282 1.00 43.44 O ATOM 1466 CB LYS A 90 14.388 -19.025 -7.936 1.00 73.13 C ATOM 1467 CG LYS A 90 14.330 -19.893 -9.200 1.00 14.45 C ATOM 1468 CD LYS A 90 15.441 -20.952 -9.242 1.00 21.40 C ATOM 1469 CE LYS A 90 15.087 -22.216 -8.460 1.00 11.12 C ATOM 1470 NZ LYS A 90 16.259 -23.113 -8.293 1.00 35.32 N ATOM 0 H LYS A 90 12.008 -19.485 -7.393 1.00 11.32 H new ATOM 0 HA LYS A 90 14.427 -20.719 -6.601 1.00 23.24 H new ATOM 0 HB2 LYS A 90 13.751 -18.153 -8.082 1.00 73.13 H new ATOM 0 HB3 LYS A 90 15.407 -18.658 -7.812 1.00 73.13 H new ATOM 0 HG2 LYS A 90 13.360 -20.387 -9.252 1.00 14.45 H new ATOM 0 HG3 LYS A 90 14.410 -19.254 -10.079 1.00 14.45 H new ATOM 0 HD2 LYS A 90 15.644 -21.218 -10.280 1.00 21.40 H new ATOM 0 HD3 LYS A 90 16.358 -20.525 -8.837 1.00 21.40 H new ATOM 0 HE2 LYS A 90 14.700 -21.939 -7.479 1.00 11.12 H new ATOM 0 HE3 LYS A 90 14.291 -22.752 -8.978 1.00 11.12 H new ATOM 0 HZ1 LYS A 90 15.976 -23.958 -7.757 1.00 35.32 H new ATOM 0 HZ2 LYS A 90 16.614 -23.398 -9.228 1.00 35.32 H new ATOM 0 HZ3 LYS A 90 17.009 -22.611 -7.776 1.00 35.32 H new ATOM 1484 N THR A 91 15.146 -19.631 -4.509 1.00 1.53 N ATOM 1485 CA THR A 91 15.700 -18.998 -3.302 1.00 24.34 C ATOM 1486 C THR A 91 17.174 -18.612 -3.489 1.00 12.23 C ATOM 1487 O THR A 91 17.695 -17.747 -2.782 1.00 70.11 O ATOM 1488 CB THR A 91 15.584 -19.934 -2.077 1.00 23.34 C ATOM 1489 OG1 THR A 91 16.290 -21.163 -2.321 1.00 44.43 O ATOM 1490 CG2 THR A 91 14.121 -20.239 -1.759 1.00 52.15 C ATOM 0 H THR A 91 15.346 -20.628 -4.586 1.00 1.53 H new ATOM 0 HA THR A 91 15.114 -18.095 -3.129 1.00 24.34 H new ATOM 0 HB THR A 91 16.028 -19.425 -1.222 1.00 23.34 H new ATOM 0 HG1 THR A 91 16.211 -21.747 -1.538 1.00 44.43 H new ATOM 0 HG21 THR A 91 14.067 -20.899 -0.893 1.00 52.15 H new ATOM 0 HG22 THR A 91 13.595 -19.310 -1.540 1.00 52.15 H new ATOM 0 HG23 THR A 91 13.656 -20.726 -2.616 1.00 52.15 H new ATOM 1498 N SER A 92 17.846 -19.271 -4.433 1.00 35.15 N ATOM 1499 CA SER A 92 19.256 -18.981 -4.736 1.00 42.14 C ATOM 1500 C SER A 92 19.460 -18.739 -6.238 1.00 2.02 C ATOM 1501 O SER A 92 19.278 -19.646 -7.059 1.00 60.41 O ATOM 1502 CB SER A 92 20.157 -20.130 -4.264 1.00 24.34 C ATOM 1503 OG SER A 92 21.525 -19.855 -4.527 1.00 55.33 O ATOM 0 H SER A 92 17.440 -20.012 -5.005 1.00 35.15 H new ATOM 0 HA SER A 92 19.531 -18.072 -4.200 1.00 42.14 H new ATOM 0 HB2 SER A 92 20.015 -20.291 -3.195 1.00 24.34 H new ATOM 0 HB3 SER A 92 19.866 -21.053 -4.766 1.00 24.34 H new ATOM 0 HG SER A 92 22.075 -20.604 -4.215 1.00 55.33 H new ATOM 1509 N ALA A 93 19.835 -17.510 -6.590 1.00 24.41 N ATOM 1510 CA ALA A 93 20.007 -17.111 -7.993 1.00 34.45 C ATOM 1511 C ALA A 93 21.221 -17.785 -8.661 1.00 24.02 C ATOM 1512 O ALA A 93 22.312 -17.853 -8.092 1.00 22.10 O ATOM 1513 CB ALA A 93 20.128 -15.595 -8.089 1.00 62.20 C ATOM 0 H ALA A 93 20.028 -16.766 -5.920 1.00 24.41 H new ATOM 0 HA ALA A 93 19.123 -17.448 -8.534 1.00 34.45 H new ATOM 0 HB1 ALA A 93 20.255 -15.305 -9.132 1.00 62.20 H new ATOM 0 HB2 ALA A 93 19.225 -15.132 -7.692 1.00 62.20 H new ATOM 0 HB3 ALA A 93 20.991 -15.262 -7.512 1.00 62.20 H new ATOM 1519 N HIS A 94 21.015 -18.277 -9.882 1.00 33.54 N ATOM 1520 CA HIS A 94 22.080 -18.900 -10.677 1.00 44.41 C ATOM 1521 C HIS A 94 21.912 -18.554 -12.163 1.00 1.20 C ATOM 1522 O HIS A 94 20.982 -17.838 -12.535 1.00 54.45 O ATOM 1523 CB HIS A 94 22.054 -20.426 -10.499 1.00 11.40 C ATOM 1524 CG HIS A 94 22.341 -20.884 -9.100 1.00 54.51 C ATOM 1525 ND1 HIS A 94 21.366 -21.043 -8.137 1.00 2.21 N ATOM 1526 CD2 HIS A 94 23.507 -21.231 -8.506 1.00 2.51 C ATOM 1527 CE1 HIS A 94 21.920 -21.467 -7.019 1.00 54.03 C ATOM 1528 NE2 HIS A 94 23.214 -21.589 -7.215 1.00 64.35 N ATOM 0 H HIS A 94 20.109 -18.257 -10.350 1.00 33.54 H new ATOM 0 HA HIS A 94 23.038 -18.514 -10.328 1.00 44.41 H new ATOM 0 HB2 HIS A 94 21.075 -20.799 -10.798 1.00 11.40 H new ATOM 0 HB3 HIS A 94 22.785 -20.872 -11.173 1.00 11.40 H new ATOM 0 HD1 HIS A 94 20.371 -20.861 -8.270 1.00 2.21 H new ATOM 0 HD2 HIS A 94 24.485 -21.227 -8.963 1.00 2.51 H new ATOM 0 HE1 HIS A 94 21.399 -21.679 -6.097 1.00 54.03 H new ATOM 1537 N GLY A 95 22.816 -19.059 -13.006 1.00 61.10 N ATOM 1538 CA GLY A 95 22.667 -18.894 -14.452 1.00 13.52 C ATOM 1539 C GLY A 95 21.379 -19.521 -14.977 1.00 35.12 C ATOM 1540 O GLY A 95 20.846 -19.109 -16.009 1.00 13.11 O ATOM 0 H GLY A 95 23.646 -19.577 -12.718 1.00 61.10 H new ATOM 0 HA2 GLY A 95 22.678 -17.832 -14.697 1.00 13.52 H new ATOM 0 HA3 GLY A 95 23.521 -19.346 -14.957 1.00 13.52 H new ATOM 1544 N ILE A 96 20.884 -20.525 -14.251 1.00 44.41 N ATOM 1545 CA ILE A 96 19.602 -21.166 -14.556 1.00 15.43 C ATOM 1546 C ILE A 96 18.426 -20.392 -13.927 1.00 33.44 C ATOM 1547 O ILE A 96 18.329 -20.275 -12.704 1.00 42.41 O ATOM 1548 CB ILE A 96 19.576 -22.638 -14.054 1.00 60.41 C ATOM 1549 CG1 ILE A 96 18.187 -23.265 -14.266 1.00 12.33 C ATOM 1550 CG2 ILE A 96 19.995 -22.725 -12.584 1.00 1.14 C ATOM 1551 CD1 ILE A 96 18.083 -24.704 -13.796 1.00 50.42 C ATOM 0 H ILE A 96 21.358 -20.916 -13.437 1.00 44.41 H new ATOM 0 HA ILE A 96 19.492 -21.158 -15.640 1.00 15.43 H new ATOM 0 HB ILE A 96 20.297 -23.206 -14.642 1.00 60.41 H new ATOM 0 HG12 ILE A 96 17.445 -22.666 -13.738 1.00 12.33 H new ATOM 0 HG13 ILE A 96 17.937 -23.220 -15.326 1.00 12.33 H new ATOM 0 HG21 ILE A 96 19.968 -23.765 -12.259 1.00 1.14 H new ATOM 0 HG22 ILE A 96 21.007 -22.335 -12.470 1.00 1.14 H new ATOM 0 HG23 ILE A 96 19.309 -22.136 -11.975 1.00 1.14 H new ATOM 0 HD11 ILE A 96 17.075 -25.075 -13.979 1.00 50.42 H new ATOM 0 HD12 ILE A 96 18.800 -25.318 -14.341 1.00 50.42 H new ATOM 0 HD13 ILE A 96 18.300 -24.755 -12.729 1.00 50.42 H new ATOM 1563 N PRO A 97 17.526 -19.836 -14.758 1.00 4.34 N ATOM 1564 CA PRO A 97 16.317 -19.154 -14.269 1.00 23.13 C ATOM 1565 C PRO A 97 15.232 -20.138 -13.778 1.00 60.42 C ATOM 1566 O PRO A 97 15.128 -20.417 -12.583 1.00 61.43 O ATOM 1567 CB PRO A 97 15.848 -18.370 -15.500 1.00 73.32 C ATOM 1568 CG PRO A 97 16.331 -19.168 -16.666 1.00 12.20 C ATOM 1569 CD PRO A 97 17.629 -19.800 -16.232 1.00 33.44 C ATOM 0 HA PRO A 97 16.516 -18.528 -13.399 1.00 23.13 H new ATOM 0 HB2 PRO A 97 14.763 -18.266 -15.514 1.00 73.32 H new ATOM 0 HB3 PRO A 97 16.264 -17.363 -15.510 1.00 73.32 H new ATOM 0 HG2 PRO A 97 15.602 -19.928 -16.946 1.00 12.20 H new ATOM 0 HG3 PRO A 97 16.480 -18.532 -17.539 1.00 12.20 H new ATOM 0 HD2 PRO A 97 17.747 -20.800 -16.650 1.00 33.44 H new ATOM 0 HD3 PRO A 97 18.488 -19.215 -16.559 1.00 33.44 H new ATOM 1577 N MET A 98 14.413 -20.653 -14.700 1.00 32.50 N ATOM 1578 CA MET A 98 13.450 -21.709 -14.373 1.00 23.21 C ATOM 1579 C MET A 98 14.153 -23.075 -14.317 1.00 44.33 C ATOM 1580 O MET A 98 15.122 -23.307 -15.037 1.00 40.33 O ATOM 1581 CB MET A 98 12.321 -21.738 -15.414 1.00 44.44 C ATOM 1582 CG MET A 98 11.203 -22.725 -15.091 1.00 72.40 C ATOM 1583 SD MET A 98 9.904 -22.748 -16.344 1.00 63.54 S ATOM 1584 CE MET A 98 10.816 -23.330 -17.773 1.00 53.23 C ATOM 0 H MET A 98 14.397 -20.357 -15.676 1.00 32.50 H new ATOM 0 HA MET A 98 13.021 -21.497 -13.394 1.00 23.21 H new ATOM 0 HB2 MET A 98 11.895 -20.738 -15.501 1.00 44.44 H new ATOM 0 HB3 MET A 98 12.744 -21.990 -16.387 1.00 44.44 H new ATOM 0 HG2 MET A 98 11.625 -23.725 -14.994 1.00 72.40 H new ATOM 0 HG3 MET A 98 10.766 -22.468 -14.126 1.00 72.40 H new ATOM 0 HE1 MET A 98 10.117 -23.649 -18.546 1.00 53.23 H new ATOM 0 HE2 MET A 98 11.440 -22.524 -18.159 1.00 53.23 H new ATOM 0 HE3 MET A 98 11.447 -24.171 -17.484 1.00 53.23 H new ATOM 1594 N ILE A 99 13.645 -23.980 -13.478 1.00 15.10 N ATOM 1595 CA ILE A 99 14.261 -25.305 -13.276 1.00 71.20 C ATOM 1596 C ILE A 99 14.516 -26.057 -14.605 1.00 53.24 C ATOM 1597 O ILE A 99 15.386 -26.928 -14.682 1.00 2.05 O ATOM 1598 CB ILE A 99 13.376 -26.185 -12.350 1.00 21.51 C ATOM 1599 CG1 ILE A 99 13.087 -25.452 -11.026 1.00 0.30 C ATOM 1600 CG2 ILE A 99 14.047 -27.534 -12.079 1.00 62.44 C ATOM 1601 CD1 ILE A 99 12.212 -26.235 -10.064 1.00 22.50 C ATOM 0 H ILE A 99 12.804 -23.824 -12.922 1.00 15.10 H new ATOM 0 HA ILE A 99 15.228 -25.124 -12.806 1.00 71.20 H new ATOM 0 HB ILE A 99 12.430 -26.371 -12.858 1.00 21.51 H new ATOM 0 HG12 ILE A 99 14.033 -25.223 -10.536 1.00 0.30 H new ATOM 0 HG13 ILE A 99 12.604 -24.500 -11.248 1.00 0.30 H new ATOM 0 HG21 ILE A 99 13.410 -28.133 -11.429 1.00 62.44 H new ATOM 0 HG22 ILE A 99 14.201 -28.060 -13.021 1.00 62.44 H new ATOM 0 HG23 ILE A 99 15.009 -27.371 -11.594 1.00 62.44 H new ATOM 0 HD11 ILE A 99 12.055 -25.651 -9.157 1.00 22.50 H new ATOM 0 HD12 ILE A 99 11.250 -26.442 -10.533 1.00 22.50 H new ATOM 0 HD13 ILE A 99 12.701 -27.175 -9.810 1.00 22.50 H new ATOM 1613 N GLY A 100 13.766 -25.700 -15.647 1.00 15.24 N ATOM 1614 CA GLY A 100 13.885 -26.379 -16.938 1.00 11.14 C ATOM 1615 C GLY A 100 15.140 -26.007 -17.737 1.00 63.22 C ATOM 1616 O GLY A 100 15.621 -26.803 -18.546 1.00 11.23 O ATOM 0 H GLY A 100 13.074 -24.951 -15.624 1.00 15.24 H new ATOM 0 HA2 GLY A 100 13.882 -27.456 -16.770 1.00 11.14 H new ATOM 0 HA3 GLY A 100 13.005 -26.148 -17.539 1.00 11.14 H new ATOM 1620 N GLU A 101 15.664 -24.801 -17.529 1.00 31.21 N ATOM 1621 CA GLU A 101 16.845 -24.322 -18.271 1.00 50.11 C ATOM 1622 C GLU A 101 18.161 -24.869 -17.682 1.00 41.21 C ATOM 1623 O GLU A 101 18.153 -25.662 -16.742 1.00 52.24 O ATOM 1624 CB GLU A 101 16.866 -22.782 -18.297 1.00 64.51 C ATOM 1625 CG GLU A 101 16.110 -22.157 -19.474 1.00 21.05 C ATOM 1626 CD GLU A 101 14.704 -22.712 -19.660 1.00 3.43 C ATOM 1627 OE1 GLU A 101 13.795 -22.319 -18.899 1.00 31.24 O ATOM 1628 OE2 GLU A 101 14.504 -23.545 -20.575 1.00 63.15 O ATOM 0 H GLU A 101 15.294 -24.132 -16.854 1.00 31.21 H new ATOM 0 HA GLU A 101 16.767 -24.698 -19.291 1.00 50.11 H new ATOM 0 HB2 GLU A 101 16.437 -22.409 -17.367 1.00 64.51 H new ATOM 0 HB3 GLU A 101 17.902 -22.446 -18.327 1.00 64.51 H new ATOM 0 HG2 GLU A 101 16.049 -21.079 -19.324 1.00 21.05 H new ATOM 0 HG3 GLU A 101 16.680 -22.320 -20.389 1.00 21.05 H new ATOM 1635 N ALA A 102 19.290 -24.446 -18.256 1.00 11.02 N ATOM 1636 CA ALA A 102 20.615 -24.901 -17.810 1.00 72.13 C ATOM 1637 C ALA A 102 21.378 -23.780 -17.081 1.00 61.44 C ATOM 1638 O ALA A 102 21.296 -22.618 -17.470 1.00 12.14 O ATOM 1639 CB ALA A 102 21.426 -25.403 -19.002 1.00 53.42 C ATOM 0 H ALA A 102 19.316 -23.787 -19.034 1.00 11.02 H new ATOM 0 HA ALA A 102 20.470 -25.719 -17.105 1.00 72.13 H new ATOM 0 HB1 ALA A 102 22.406 -25.738 -18.661 1.00 53.42 H new ATOM 0 HB2 ALA A 102 20.903 -26.235 -19.474 1.00 53.42 H new ATOM 0 HB3 ALA A 102 21.550 -24.596 -19.724 1.00 53.42 H new ATOM 1645 N PRO A 103 22.125 -24.113 -16.003 1.00 4.45 N ATOM 1646 CA PRO A 103 22.909 -23.122 -15.234 1.00 11.34 C ATOM 1647 C PRO A 103 24.105 -22.539 -16.012 1.00 75.33 C ATOM 1648 O PRO A 103 24.520 -21.409 -15.753 1.00 21.42 O ATOM 1649 CB PRO A 103 23.403 -23.920 -14.009 1.00 55.32 C ATOM 1650 CG PRO A 103 22.574 -25.164 -13.987 1.00 12.42 C ATOM 1651 CD PRO A 103 22.241 -25.459 -15.423 1.00 44.11 C ATOM 0 HA PRO A 103 22.300 -22.252 -14.986 1.00 11.34 H new ATOM 0 HB2 PRO A 103 24.464 -24.156 -14.095 1.00 55.32 H new ATOM 0 HB3 PRO A 103 23.277 -23.347 -13.090 1.00 55.32 H new ATOM 0 HG2 PRO A 103 23.121 -25.991 -13.535 1.00 12.42 H new ATOM 0 HG3 PRO A 103 21.669 -25.020 -13.397 1.00 12.42 H new ATOM 0 HD2 PRO A 103 23.021 -26.045 -15.909 1.00 44.11 H new ATOM 0 HD3 PRO A 103 21.313 -26.023 -15.517 1.00 44.11 H new ATOM 1659 N LEU A 104 24.647 -23.321 -16.957 1.00 62.42 N ATOM 1660 CA LEU A 104 25.844 -22.950 -17.754 1.00 45.42 C ATOM 1661 C LEU A 104 26.937 -22.247 -16.912 1.00 34.51 C ATOM 1662 O LEU A 104 27.694 -21.412 -17.419 1.00 72.03 O ATOM 1663 CB LEU A 104 25.480 -22.098 -18.999 1.00 2.24 C ATOM 1664 CG LEU A 104 24.916 -20.678 -18.747 1.00 33.53 C ATOM 1665 CD1 LEU A 104 25.354 -19.721 -19.854 1.00 51.03 C ATOM 1666 CD2 LEU A 104 23.390 -20.698 -18.660 1.00 45.13 C ATOM 0 H LEU A 104 24.270 -24.238 -17.198 1.00 62.42 H new ATOM 0 HA LEU A 104 26.263 -23.894 -18.103 1.00 45.42 H new ATOM 0 HB2 LEU A 104 26.374 -22.002 -19.615 1.00 2.24 H new ATOM 0 HB3 LEU A 104 24.747 -22.653 -19.585 1.00 2.24 H new ATOM 0 HG LEU A 104 25.314 -20.330 -17.794 1.00 33.53 H new ATOM 0 HD11 LEU A 104 24.948 -18.729 -19.659 1.00 51.03 H new ATOM 0 HD12 LEU A 104 26.442 -19.669 -19.880 1.00 51.03 H new ATOM 0 HD13 LEU A 104 24.985 -20.082 -20.814 1.00 51.03 H new ATOM 0 HD21 LEU A 104 23.022 -19.687 -18.483 1.00 45.13 H new ATOM 0 HD22 LEU A 104 22.977 -21.075 -19.596 1.00 45.13 H new ATOM 0 HD23 LEU A 104 23.081 -21.346 -17.840 1.00 45.13 H new ATOM 1678 N GLU A 105 27.044 -22.621 -15.636 1.00 3.45 N ATOM 1679 CA GLU A 105 28.038 -22.027 -14.731 1.00 62.23 C ATOM 1680 C GLU A 105 28.833 -23.100 -13.976 1.00 43.41 C ATOM 1681 O GLU A 105 28.417 -24.256 -13.881 1.00 21.14 O ATOM 1682 CB GLU A 105 27.360 -21.093 -13.712 1.00 32.22 C ATOM 1683 CG GLU A 105 26.382 -21.801 -12.773 1.00 53.01 C ATOM 1684 CD GLU A 105 25.978 -20.946 -11.577 1.00 63.32 C ATOM 1685 OE1 GLU A 105 25.267 -19.938 -11.769 1.00 73.40 O ATOM 1686 OE2 GLU A 105 26.366 -21.287 -10.436 1.00 4.21 O ATOM 0 H GLU A 105 26.456 -23.333 -15.203 1.00 3.45 H new ATOM 0 HA GLU A 105 28.728 -21.454 -15.351 1.00 62.23 H new ATOM 0 HB2 GLU A 105 28.130 -20.603 -13.116 1.00 32.22 H new ATOM 0 HB3 GLU A 105 26.827 -20.310 -14.251 1.00 32.22 H new ATOM 0 HG2 GLU A 105 25.488 -22.080 -13.331 1.00 53.01 H new ATOM 0 HG3 GLU A 105 26.835 -22.725 -12.415 1.00 53.01 H new ATOM 1693 N HIS A 106 29.990 -22.700 -13.454 1.00 4.45 N ATOM 1694 CA HIS A 106 30.790 -23.550 -12.559 1.00 55.24 C ATOM 1695 C HIS A 106 31.092 -22.806 -11.246 1.00 72.21 C ATOM 1696 O HIS A 106 31.283 -23.415 -10.193 1.00 51.21 O ATOM 1697 CB HIS A 106 32.092 -23.978 -13.248 1.00 22.20 C ATOM 1698 CG HIS A 106 31.865 -24.747 -14.517 1.00 20.13 C ATOM 1699 ND1 HIS A 106 31.389 -26.038 -14.538 1.00 24.54 N ATOM 1700 CD2 HIS A 106 32.023 -24.391 -15.816 1.00 3.42 C ATOM 1701 CE1 HIS A 106 31.264 -26.444 -15.784 1.00 1.24 C ATOM 1702 NE2 HIS A 106 31.639 -25.466 -16.583 1.00 64.32 N ATOM 0 H HIS A 106 30.402 -21.785 -13.634 1.00 4.45 H new ATOM 0 HA HIS A 106 30.216 -24.446 -12.325 1.00 55.24 H new ATOM 0 HB2 HIS A 106 32.687 -23.092 -13.469 1.00 22.20 H new ATOM 0 HB3 HIS A 106 32.676 -24.589 -12.560 1.00 22.20 H new ATOM 0 HD2 HIS A 106 32.383 -23.440 -16.180 1.00 3.42 H new ATOM 0 HE1 HIS A 106 30.913 -27.416 -16.098 1.00 1.24 H new ATOM 0 HE2 HIS A 106 31.644 -25.500 -17.602 1.00 64.32 H new ATOM 1711 N HIS A 107 31.155 -21.478 -11.335 1.00 54.15 N ATOM 1712 CA HIS A 107 31.275 -20.597 -10.164 1.00 64.14 C ATOM 1713 C HIS A 107 30.380 -19.361 -10.351 1.00 42.20 C ATOM 1714 O HIS A 107 30.547 -18.614 -11.316 1.00 22.14 O ATOM 1715 CB HIS A 107 32.735 -20.148 -9.957 1.00 55.14 C ATOM 1716 CG HIS A 107 33.682 -21.259 -9.620 1.00 61.42 C ATOM 1717 ND1 HIS A 107 34.104 -21.528 -8.336 1.00 4.04 N ATOM 1718 CD2 HIS A 107 34.304 -22.166 -10.410 1.00 42.31 C ATOM 1719 CE1 HIS A 107 34.940 -22.543 -8.351 1.00 4.32 C ATOM 1720 NE2 HIS A 107 35.077 -22.951 -9.594 1.00 1.23 N ATOM 0 H HIS A 107 31.124 -20.977 -12.223 1.00 54.15 H new ATOM 0 HA HIS A 107 30.956 -21.154 -9.283 1.00 64.14 H new ATOM 0 HB2 HIS A 107 33.082 -19.653 -10.864 1.00 55.14 H new ATOM 0 HB3 HIS A 107 32.765 -19.407 -9.158 1.00 55.14 H new ATOM 0 HD2 HIS A 107 34.209 -22.254 -11.482 1.00 42.31 H new ATOM 0 HE1 HIS A 107 35.431 -22.969 -7.489 1.00 4.32 H new ATOM 0 HE2 HIS A 107 35.664 -23.727 -9.901 1.00 1.23 H new ATOM 1729 N HIS A 108 29.427 -19.144 -9.445 1.00 65.02 N ATOM 1730 CA HIS A 108 28.523 -17.990 -9.553 1.00 54.22 C ATOM 1731 C HIS A 108 29.286 -16.681 -9.286 1.00 61.24 C ATOM 1732 O HIS A 108 29.689 -16.407 -8.154 1.00 71.00 O ATOM 1733 CB HIS A 108 27.343 -18.133 -8.579 1.00 21.02 C ATOM 1734 CG HIS A 108 26.297 -17.063 -8.728 1.00 60.11 C ATOM 1735 ND1 HIS A 108 26.180 -15.992 -7.865 1.00 41.15 N ATOM 1736 CD2 HIS A 108 25.314 -16.902 -9.649 1.00 62.51 C ATOM 1737 CE1 HIS A 108 25.177 -15.225 -8.246 1.00 44.30 C ATOM 1738 NE2 HIS A 108 24.634 -15.752 -9.325 1.00 44.30 N ATOM 0 H HIS A 108 29.259 -19.742 -8.636 1.00 65.02 H new ATOM 0 HA HIS A 108 28.128 -17.959 -10.568 1.00 54.22 H new ATOM 0 HB2 HIS A 108 26.877 -19.107 -8.729 1.00 21.02 H new ATOM 0 HB3 HIS A 108 27.723 -18.116 -7.558 1.00 21.02 H new ATOM 0 HD2 HIS A 108 25.104 -17.556 -10.482 1.00 62.51 H new ATOM 0 HE1 HIS A 108 24.855 -14.318 -7.756 1.00 44.30 H new ATOM 0 HE2 HIS A 108 23.839 -15.369 -9.836 1.00 44.30 H new ATOM 1747 N HIS A 109 29.484 -15.886 -10.338 1.00 25.23 N ATOM 1748 CA HIS A 109 30.248 -14.637 -10.241 1.00 71.34 C ATOM 1749 C HIS A 109 29.639 -13.662 -9.217 1.00 33.53 C ATOM 1750 O HIS A 109 28.595 -13.060 -9.464 1.00 23.02 O ATOM 1751 CB HIS A 109 30.334 -13.962 -11.620 1.00 74.02 C ATOM 1752 CG HIS A 109 31.055 -12.644 -11.602 1.00 33.05 C ATOM 1753 ND1 HIS A 109 32.422 -12.532 -11.720 1.00 54.15 N ATOM 1754 CD2 HIS A 109 30.592 -11.376 -11.463 1.00 52.30 C ATOM 1755 CE1 HIS A 109 32.766 -11.264 -11.651 1.00 53.51 C ATOM 1756 NE2 HIS A 109 31.678 -10.540 -11.494 1.00 71.51 N ATOM 0 H HIS A 109 29.125 -16.084 -11.272 1.00 25.23 H new ATOM 0 HA HIS A 109 31.249 -14.894 -9.895 1.00 71.34 H new ATOM 0 HB2 HIS A 109 30.840 -14.634 -12.313 1.00 74.02 H new ATOM 0 HB3 HIS A 109 29.325 -13.809 -12.004 1.00 74.02 H new ATOM 0 HD2 HIS A 109 29.560 -11.080 -11.349 1.00 52.30 H new ATOM 0 HE1 HIS A 109 33.774 -10.881 -11.713 1.00 53.51 H new ATOM 0 HE2 HIS A 109 31.648 -9.524 -11.409 1.00 71.51 H new ATOM 1765 N HIS A 110 30.301 -13.515 -8.074 1.00 23.52 N ATOM 1766 CA HIS A 110 29.892 -12.547 -7.051 1.00 34.44 C ATOM 1767 C HIS A 110 30.252 -11.112 -7.480 1.00 41.30 C ATOM 1768 O HIS A 110 31.280 -10.891 -8.123 1.00 4.10 O ATOM 1769 CB HIS A 110 30.574 -12.889 -5.717 1.00 70.10 C ATOM 1770 CG HIS A 110 30.226 -11.954 -4.600 1.00 31.42 C ATOM 1771 ND1 HIS A 110 31.004 -10.869 -4.259 1.00 35.24 N ATOM 1772 CD2 HIS A 110 29.179 -11.944 -3.740 1.00 32.42 C ATOM 1773 CE1 HIS A 110 30.456 -10.237 -3.243 1.00 35.14 C ATOM 1774 NE2 HIS A 110 29.348 -10.865 -2.908 1.00 14.21 N ATOM 0 H HIS A 110 31.130 -14.056 -7.828 1.00 23.52 H new ATOM 0 HA HIS A 110 28.810 -12.602 -6.929 1.00 34.44 H new ATOM 0 HB2 HIS A 110 30.297 -13.903 -5.428 1.00 70.10 H new ATOM 0 HB3 HIS A 110 31.655 -12.882 -5.860 1.00 70.10 H new ATOM 0 HD2 HIS A 110 28.364 -12.652 -3.714 1.00 32.42 H new ATOM 0 HE1 HIS A 110 30.849 -9.352 -2.764 1.00 35.14 H new ATOM 0 HE2 HIS A 110 28.718 -10.594 -2.153 1.00 14.21 H new ATOM 1783 N HIS A 111 29.402 -10.140 -7.135 1.00 15.12 N ATOM 1784 CA HIS A 111 29.668 -8.732 -7.476 1.00 11.32 C ATOM 1785 C HIS A 111 30.836 -8.151 -6.640 1.00 21.53 C ATOM 1786 O HIS A 111 31.960 -8.044 -7.179 1.00 38.29 O ATOM 1787 CB HIS A 111 28.386 -7.876 -7.341 1.00 41.25 C ATOM 1788 CG HIS A 111 27.829 -7.739 -5.949 1.00 23.12 C ATOM 1789 ND1 HIS A 111 27.296 -6.560 -5.473 1.00 54.41 N ATOM 1790 CD2 HIS A 111 27.705 -8.633 -4.939 1.00 65.22 C ATOM 1791 CE1 HIS A 111 26.877 -6.733 -4.237 1.00 60.24 C ATOM 1792 NE2 HIS A 111 27.111 -7.979 -3.888 1.00 72.53 N ATOM 1793 OXT HIS A 111 30.641 -7.836 -5.446 1.00 38.29 O ATOM 0 H HIS A 111 28.532 -10.295 -6.625 1.00 15.12 H new ATOM 0 HA HIS A 111 29.979 -8.698 -8.520 1.00 11.32 H new ATOM 0 HB2 HIS A 111 28.596 -6.879 -7.727 1.00 41.25 H new ATOM 0 HB3 HIS A 111 27.615 -8.308 -7.979 1.00 41.25 H new ATOM 0 HD2 HIS A 111 28.015 -9.667 -4.957 1.00 65.22 H new ATOM 0 HE1 HIS A 111 26.418 -5.979 -3.615 1.00 60.24 H new ATOM 0 HE2 HIS A 111 26.887 -8.393 -2.983 1.00 72.53 H new TER 1802 HIS A 111