USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 743 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 32 LYS NZ :NH3+ -139:sc= -0.957 (180deg=-2.67!) USER MOD Set 1.2: A 107 HIS : no HD1:sc= -0.27 X(o=-1.2,f=-1.1) USER MOD Set 2.1: A 65 HIS : no HD1:sc= -0.68 X(o=-0.68,f=-0.79) USER MOD Set 2.2: A 67 HIS : no HD1:sc= 0 X(o=-0.68,f=-0.68) USER MOD Set 3.1: A 41 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -4.03! C(o=-4!,f=-5.5!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.0154 USER MOD Single : A 25 GLN : amide:sc= -0.972 K(o=-0.97,f=-2.2!) USER MOD Single : A 29 GLN : amide:sc=-0.000389 X(o=-0.00039,f=-0.19) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl -147:sc= -3.29 (180deg=-3.54) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -139:sc= 0.00566 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0831 USER MOD Single : A 64 LYS NZ :NH3+ 178:sc= 0.373 (180deg=0.372) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.594 K(o=-0.59,f=-4.2!) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.138 K(o=-0.14,f=-1.3!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 7:sc= 0.0474 USER MOD Single : A 86 SER OG : rot 180:sc= -0.13 USER MOD Single : A 89 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0636) USER MOD Single : A 92 HIS : no HD1:sc= -0.0129 X(o=-0.013,f=0) USER MOD Single : A 93 TYR OH : rot 165:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -1.69 X(o=-1.7,f=-1.4!) USER MOD Single : A 95 GLN : amide:sc= -1.03 X(o=-1,f=-1.1) USER MOD Single : A 96 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.0055) USER MOD Single : A 97 ASN : amide:sc= -1.13 X(o=-1.1,f=-0.76) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 0.718 -11.524 -8.588 1.00 0.00 N ATOM 67 CA LEU A 8 0.845 -10.395 -7.672 1.00 0.00 C ATOM 68 C LEU A 8 2.216 -9.741 -7.800 1.00 0.00 C ATOM 69 O LEU A 8 2.426 -8.620 -7.337 1.00 0.00 O ATOM 70 CB LEU A 8 0.619 -10.855 -6.231 1.00 0.00 C ATOM 71 CG LEU A 8 0.952 -9.836 -5.141 1.00 0.00 C ATOM 72 CD1 LEU A 8 -0.041 -8.684 -5.168 1.00 0.00 C ATOM 73 CD2 LEU A 8 0.961 -10.502 -3.773 1.00 0.00 C ATOM 0 HA LEU A 8 0.086 -9.658 -7.935 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.426 -11.144 -6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.217 -11.750 -6.059 1.00 0.00 H new ATOM 0 HG LEU A 8 1.947 -9.437 -5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.211 -7.968 -4.386 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.001 -8.190 -6.139 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.047 -9.067 -4.999 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.200 -9.762 -3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.021 -10.929 -3.570 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.711 -11.293 -3.758 1.00 0.00 H new ATOM 85 N ASP A 9 3.147 -10.448 -8.433 1.00 0.00 N ATOM 86 CA ASP A 9 4.498 -9.935 -8.626 1.00 0.00 C ATOM 87 C ASP A 9 4.655 -9.324 -10.015 1.00 0.00 C ATOM 88 O ASP A 9 5.583 -8.555 -10.264 1.00 0.00 O ATOM 89 CB ASP A 9 5.523 -11.051 -8.427 1.00 0.00 C ATOM 90 CG ASP A 9 6.814 -10.794 -9.179 1.00 0.00 C ATOM 91 OD1 ASP A 9 7.350 -9.671 -9.070 1.00 0.00 O ATOM 92 OD2 ASP A 9 7.288 -11.714 -9.879 1.00 0.00 O ATOM 0 H ASP A 9 2.990 -11.378 -8.821 1.00 0.00 H new ATOM 0 HA ASP A 9 4.673 -9.155 -7.885 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.740 -11.155 -7.364 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.095 -11.997 -8.759 1.00 0.00 H new ATOM 97 N ASP A 10 3.743 -9.673 -10.915 1.00 0.00 N ATOM 98 CA ASP A 10 3.779 -9.160 -12.279 1.00 0.00 C ATOM 99 C ASP A 10 3.292 -7.715 -12.329 1.00 0.00 C ATOM 100 O ASP A 10 3.155 -7.132 -13.405 1.00 0.00 O ATOM 101 CB ASP A 10 2.924 -10.032 -13.198 1.00 0.00 C ATOM 102 CG ASP A 10 3.691 -11.216 -13.752 1.00 0.00 C ATOM 103 OD1 ASP A 10 4.792 -11.005 -14.301 1.00 0.00 O ATOM 104 OD2 ASP A 10 3.189 -12.355 -13.637 1.00 0.00 O ATOM 0 H ASP A 10 2.969 -10.310 -10.724 1.00 0.00 H new ATOM 0 HA ASP A 10 4.813 -9.188 -12.624 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.055 -10.392 -12.647 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.550 -9.427 -14.024 1.00 0.00 H new ATOM 109 N TYR A 11 3.029 -7.144 -11.159 1.00 0.00 N ATOM 110 CA TYR A 11 2.553 -5.769 -11.070 1.00 0.00 C ATOM 111 C TYR A 11 3.720 -4.794 -10.944 1.00 0.00 C ATOM 112 O TYR A 11 4.884 -5.193 -10.998 1.00 0.00 O ATOM 113 CB TYR A 11 1.611 -5.609 -9.875 1.00 0.00 C ATOM 114 CG TYR A 11 0.237 -6.199 -10.104 1.00 0.00 C ATOM 115 CD1 TYR A 11 -0.571 -5.745 -11.140 1.00 0.00 C ATOM 116 CD2 TYR A 11 -0.252 -7.209 -9.285 1.00 0.00 C ATOM 117 CE1 TYR A 11 -1.826 -6.280 -11.351 1.00 0.00 C ATOM 118 CE2 TYR A 11 -1.506 -7.751 -9.491 1.00 0.00 C ATOM 119 CZ TYR A 11 -2.289 -7.282 -10.525 1.00 0.00 C ATOM 120 OH TYR A 11 -3.540 -7.819 -10.734 1.00 0.00 O ATOM 0 H TYR A 11 3.137 -7.612 -10.259 1.00 0.00 H new ATOM 0 HA TYR A 11 2.010 -5.541 -11.987 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.060 -6.084 -9.003 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.508 -4.549 -9.643 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.211 -4.961 -11.790 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.358 -7.577 -8.474 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -2.442 -5.915 -12.159 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.871 -8.537 -8.846 1.00 0.00 H new ATOM 0 HH TYR A 11 -3.713 -8.515 -10.066 1.00 0.00 H new ATOM 130 N ASP A 12 3.401 -3.516 -10.776 1.00 0.00 N ATOM 131 CA ASP A 12 4.422 -2.484 -10.641 1.00 0.00 C ATOM 132 C ASP A 12 4.557 -2.041 -9.188 1.00 0.00 C ATOM 133 O ASP A 12 5.645 -2.080 -8.614 1.00 0.00 O ATOM 134 CB ASP A 12 4.083 -1.283 -11.525 1.00 0.00 C ATOM 135 CG ASP A 12 4.339 -1.555 -12.995 1.00 0.00 C ATOM 136 OD1 ASP A 12 5.179 -2.428 -13.299 1.00 0.00 O ATOM 137 OD2 ASP A 12 3.700 -0.895 -13.840 1.00 0.00 O ATOM 0 H ASP A 12 2.443 -3.169 -10.730 1.00 0.00 H new ATOM 0 HA ASP A 12 5.375 -2.905 -10.963 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.035 -1.017 -11.385 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.675 -0.424 -11.209 1.00 0.00 H new ATOM 142 N TRP A 13 3.445 -1.616 -8.599 1.00 0.00 N ATOM 143 CA TRP A 13 3.439 -1.163 -7.213 1.00 0.00 C ATOM 144 C TRP A 13 4.100 -2.191 -6.301 1.00 0.00 C ATOM 145 O TRP A 13 4.748 -1.837 -5.316 1.00 0.00 O ATOM 146 CB TRP A 13 2.006 -0.897 -6.747 1.00 0.00 C ATOM 147 CG TRP A 13 1.009 -1.864 -7.311 1.00 0.00 C ATOM 148 CD1 TRP A 13 0.272 -1.710 -8.450 1.00 0.00 C ATOM 149 CD2 TRP A 13 0.640 -3.132 -6.759 1.00 0.00 C ATOM 150 NE1 TRP A 13 -0.534 -2.807 -8.640 1.00 0.00 N ATOM 151 CE2 TRP A 13 -0.326 -3.695 -7.617 1.00 0.00 C ATOM 152 CE3 TRP A 13 1.031 -3.849 -5.625 1.00 0.00 C ATOM 153 CZ2 TRP A 13 -0.904 -4.937 -7.374 1.00 0.00 C ATOM 154 CZ3 TRP A 13 0.457 -5.083 -5.386 1.00 0.00 C ATOM 155 CH2 TRP A 13 -0.502 -5.617 -6.257 1.00 0.00 C ATOM 0 H TRP A 13 2.536 -1.576 -9.060 1.00 0.00 H new ATOM 0 HA TRP A 13 4.009 -0.236 -7.158 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.971 -0.943 -5.659 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.721 0.116 -7.032 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.316 -0.853 -9.105 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.182 -2.939 -9.417 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.769 -3.446 -4.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.644 -5.350 -8.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.753 -5.646 -4.513 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.932 -6.584 -6.042 1.00 0.00 H new ATOM 166 N PHE A 14 3.933 -3.467 -6.636 1.00 0.00 N ATOM 167 CA PHE A 14 4.513 -4.546 -5.846 1.00 0.00 C ATOM 168 C PHE A 14 6.035 -4.439 -5.813 1.00 0.00 C ATOM 169 O PHE A 14 6.715 -4.802 -6.772 1.00 0.00 O ATOM 170 CB PHE A 14 4.099 -5.904 -6.419 1.00 0.00 C ATOM 171 CG PHE A 14 4.513 -7.067 -5.562 1.00 0.00 C ATOM 172 CD1 PHE A 14 5.844 -7.446 -5.481 1.00 0.00 C ATOM 173 CD2 PHE A 14 3.572 -7.780 -4.837 1.00 0.00 C ATOM 174 CE1 PHE A 14 6.227 -8.516 -4.695 1.00 0.00 C ATOM 175 CE2 PHE A 14 3.950 -8.851 -4.049 1.00 0.00 C ATOM 176 CZ PHE A 14 5.278 -9.218 -3.977 1.00 0.00 C ATOM 0 H PHE A 14 3.401 -3.778 -7.449 1.00 0.00 H new ATOM 0 HA PHE A 14 4.138 -4.459 -4.826 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.016 -5.922 -6.544 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.536 -6.020 -7.411 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.590 -6.899 -6.038 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.531 -7.496 -4.888 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.267 -8.803 -4.642 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.206 -9.400 -3.490 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.575 -10.053 -3.360 1.00 0.00 H new ATOM 186 N ALA A 15 6.562 -3.936 -4.702 1.00 0.00 N ATOM 187 CA ALA A 15 8.002 -3.782 -4.541 1.00 0.00 C ATOM 188 C ALA A 15 8.647 -5.086 -4.086 1.00 0.00 C ATOM 189 O ALA A 15 9.451 -5.677 -4.806 1.00 0.00 O ATOM 190 CB ALA A 15 8.307 -2.665 -3.553 1.00 0.00 C ATOM 0 H ALA A 15 6.013 -3.628 -3.900 1.00 0.00 H new ATOM 0 HA ALA A 15 8.424 -3.519 -5.511 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.386 -2.561 -3.443 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.888 -1.729 -3.922 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.865 -2.904 -2.586 1.00 0.00 H new ATOM 196 N GLY A 16 8.291 -5.528 -2.883 1.00 0.00 N ATOM 197 CA GLY A 16 8.846 -6.760 -2.352 1.00 0.00 C ATOM 198 C GLY A 16 10.332 -6.653 -2.075 1.00 0.00 C ATOM 199 O GLY A 16 11.000 -5.748 -2.573 1.00 0.00 O ATOM 0 H GLY A 16 7.629 -5.055 -2.267 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.326 -7.022 -1.431 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.669 -7.570 -3.060 1.00 0.00 H new ATOM 203 N ASN A 17 10.851 -7.581 -1.276 1.00 0.00 N ATOM 204 CA ASN A 17 12.268 -7.586 -0.931 1.00 0.00 C ATOM 205 C ASN A 17 12.712 -6.215 -0.431 1.00 0.00 C ATOM 206 O ASN A 17 13.837 -5.784 -0.684 1.00 0.00 O ATOM 207 CB ASN A 17 13.108 -7.995 -2.144 1.00 0.00 C ATOM 208 CG ASN A 17 12.842 -9.425 -2.575 1.00 0.00 C ATOM 209 OD1 ASN A 17 13.279 -10.373 -1.922 1.00 0.00 O ATOM 210 ND2 ASN A 17 12.123 -9.586 -3.679 1.00 0.00 N ATOM 0 H ASN A 17 10.312 -8.338 -0.856 1.00 0.00 H new ATOM 0 HA ASN A 17 12.419 -8.311 -0.131 1.00 0.00 H new ATOM 0 HB2 ASN A 17 12.894 -7.322 -2.974 1.00 0.00 H new ATOM 0 HB3 ASN A 17 14.165 -7.881 -1.906 1.00 0.00 H new ATOM 0 HD21 ASN A 17 11.912 -10.525 -4.018 1.00 0.00 H new ATOM 0 HD22 ASN A 17 11.781 -8.771 -4.188 1.00 0.00 H new ATOM 217 N ILE A 18 11.820 -5.534 0.282 1.00 0.00 N ATOM 218 CA ILE A 18 12.119 -4.213 0.819 1.00 0.00 C ATOM 219 C ILE A 18 12.030 -4.206 2.341 1.00 0.00 C ATOM 220 O ILE A 18 11.159 -4.850 2.925 1.00 0.00 O ATOM 221 CB ILE A 18 11.165 -3.146 0.254 1.00 0.00 C ATOM 222 CG1 ILE A 18 9.764 -3.319 0.846 1.00 0.00 C ATOM 223 CG2 ILE A 18 11.118 -3.226 -1.264 1.00 0.00 C ATOM 224 CD1 ILE A 18 8.762 -2.309 0.332 1.00 0.00 C ATOM 0 H ILE A 18 10.884 -5.876 0.501 1.00 0.00 H new ATOM 0 HA ILE A 18 13.138 -3.972 0.516 1.00 0.00 H new ATOM 0 HB ILE A 18 11.539 -2.161 0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.404 -4.323 0.620 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.825 -3.239 1.931 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.439 -2.465 -1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 18 12.116 -3.059 -1.668 1.00 0.00 H new ATOM 0 HG23 ILE A 18 10.765 -4.212 -1.566 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.792 -2.492 0.794 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.099 -1.303 0.581 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.672 -2.404 -0.750 1.00 0.00 H new ATOM 236 N SER A 19 12.935 -3.470 2.979 1.00 0.00 N ATOM 237 CA SER A 19 12.961 -3.380 4.433 1.00 0.00 C ATOM 238 C SER A 19 12.180 -2.161 4.915 1.00 0.00 C ATOM 239 O SER A 19 11.655 -1.389 4.112 1.00 0.00 O ATOM 240 CB SER A 19 14.403 -3.308 4.937 1.00 0.00 C ATOM 241 OG SER A 19 15.089 -4.524 4.695 1.00 0.00 O ATOM 0 H SER A 19 13.660 -2.927 2.510 1.00 0.00 H new ATOM 0 HA SER A 19 12.489 -4.276 4.836 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.924 -2.488 4.442 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.408 -3.090 6.005 1.00 0.00 H new ATOM 0 HG SER A 19 16.009 -4.452 5.025 1.00 0.00 H new ATOM 247 N ARG A 20 12.110 -1.993 6.232 1.00 0.00 N ATOM 248 CA ARG A 20 11.393 -0.868 6.822 1.00 0.00 C ATOM 249 C ARG A 20 11.994 0.458 6.366 1.00 0.00 C ATOM 250 O ARG A 20 11.316 1.485 6.349 1.00 0.00 O ATOM 251 CB ARG A 20 11.429 -0.958 8.349 1.00 0.00 C ATOM 252 CG ARG A 20 10.676 -2.155 8.905 1.00 0.00 C ATOM 253 CD ARG A 20 9.217 -1.821 9.173 1.00 0.00 C ATOM 254 NE ARG A 20 9.037 -1.137 10.450 1.00 0.00 N ATOM 255 CZ ARG A 20 9.184 -1.731 11.630 1.00 0.00 C ATOM 256 NH1 ARG A 20 9.512 -3.014 11.693 1.00 0.00 N ATOM 257 NH2 ARG A 20 9.003 -1.041 12.749 1.00 0.00 N ATOM 0 H ARG A 20 12.541 -2.621 6.910 1.00 0.00 H new ATOM 0 HA ARG A 20 10.357 -0.913 6.486 1.00 0.00 H new ATOM 0 HB2 ARG A 20 12.467 -1.008 8.677 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.005 -0.046 8.769 1.00 0.00 H new ATOM 0 HG2 ARG A 20 10.737 -2.984 8.200 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.150 -2.487 9.829 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.836 -1.192 8.368 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.628 -2.738 9.167 1.00 0.00 H new ATOM 0 HE ARG A 20 8.785 -0.149 10.436 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.652 -3.547 10.835 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.624 -3.468 12.600 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.751 -0.054 12.704 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.116 -1.498 13.654 1.00 0.00 H new ATOM 271 N SER A 21 13.270 0.428 5.996 1.00 0.00 N ATOM 272 CA SER A 21 13.963 1.629 5.544 1.00 0.00 C ATOM 273 C SER A 21 13.680 1.897 4.068 1.00 0.00 C ATOM 274 O SER A 21 13.165 2.955 3.708 1.00 0.00 O ATOM 275 CB SER A 21 15.470 1.489 5.768 1.00 0.00 C ATOM 276 OG SER A 21 15.782 1.484 7.150 1.00 0.00 O ATOM 0 H SER A 21 13.845 -0.414 6.000 1.00 0.00 H new ATOM 0 HA SER A 21 13.593 2.473 6.126 1.00 0.00 H new ATOM 0 HB2 SER A 21 15.825 0.566 5.309 1.00 0.00 H new ATOM 0 HB3 SER A 21 15.992 2.311 5.277 1.00 0.00 H new ATOM 0 HG SER A 21 16.751 1.392 7.266 1.00 0.00 H new ATOM 282 N GLN A 22 14.020 0.930 3.222 1.00 0.00 N ATOM 283 CA GLN A 22 13.804 1.062 1.786 1.00 0.00 C ATOM 284 C GLN A 22 12.354 1.429 1.486 1.00 0.00 C ATOM 285 O GLN A 22 12.079 2.452 0.860 1.00 0.00 O ATOM 286 CB GLN A 22 14.171 -0.239 1.072 1.00 0.00 C ATOM 287 CG GLN A 22 15.658 -0.378 0.787 1.00 0.00 C ATOM 288 CD GLN A 22 16.231 0.836 0.083 1.00 0.00 C ATOM 289 OE1 GLN A 22 16.124 0.970 -1.137 1.00 0.00 O ATOM 290 NE2 GLN A 22 16.846 1.729 0.849 1.00 0.00 N ATOM 0 H GLN A 22 14.446 0.048 3.506 1.00 0.00 H new ATOM 0 HA GLN A 22 14.446 1.863 1.419 1.00 0.00 H new ATOM 0 HB2 GLN A 22 13.846 -1.082 1.681 1.00 0.00 H new ATOM 0 HB3 GLN A 22 13.622 -0.295 0.132 1.00 0.00 H new ATOM 0 HG2 GLN A 22 16.191 -0.535 1.725 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.826 -1.263 0.173 1.00 0.00 H new ATOM 0 HE21 GLN A 22 16.912 1.578 1.856 1.00 0.00 H new ATOM 0 HE22 GLN A 22 17.253 2.566 0.431 1.00 0.00 H new ATOM 299 N SER A 23 11.430 0.586 1.937 1.00 0.00 N ATOM 300 CA SER A 23 10.008 0.819 1.713 1.00 0.00 C ATOM 301 C SER A 23 9.655 2.285 1.944 1.00 0.00 C ATOM 302 O SER A 23 8.797 2.843 1.261 1.00 0.00 O ATOM 303 CB SER A 23 9.172 -0.070 2.635 1.00 0.00 C ATOM 304 OG SER A 23 9.035 0.513 3.920 1.00 0.00 O ATOM 0 H SER A 23 11.641 -0.264 2.460 1.00 0.00 H new ATOM 0 HA SER A 23 9.783 0.568 0.676 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.186 -0.228 2.197 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.642 -1.049 2.725 1.00 0.00 H new ATOM 0 HG SER A 23 8.495 -0.074 4.490 1.00 0.00 H new ATOM 310 N GLU A 24 10.324 2.903 2.913 1.00 0.00 N ATOM 311 CA GLU A 24 10.081 4.304 3.235 1.00 0.00 C ATOM 312 C GLU A 24 10.783 5.222 2.239 1.00 0.00 C ATOM 313 O GLU A 24 10.222 6.227 1.803 1.00 0.00 O ATOM 314 CB GLU A 24 10.559 4.615 4.655 1.00 0.00 C ATOM 315 CG GLU A 24 9.662 4.038 5.738 1.00 0.00 C ATOM 316 CD GLU A 24 10.164 4.347 7.136 1.00 0.00 C ATOM 317 OE1 GLU A 24 10.524 5.514 7.393 1.00 0.00 O ATOM 318 OE2 GLU A 24 10.197 3.419 7.972 1.00 0.00 O ATOM 0 H GLU A 24 11.038 2.455 3.488 1.00 0.00 H new ATOM 0 HA GLU A 24 9.007 4.482 3.173 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.568 4.224 4.784 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.618 5.696 4.781 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.654 4.437 5.621 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.594 2.958 5.611 1.00 0.00 H new ATOM 325 N GLN A 25 12.013 4.868 1.882 1.00 0.00 N ATOM 326 CA GLN A 25 12.793 5.660 0.938 1.00 0.00 C ATOM 327 C GLN A 25 12.207 5.563 -0.467 1.00 0.00 C ATOM 328 O GLN A 25 11.645 6.530 -0.983 1.00 0.00 O ATOM 329 CB GLN A 25 14.249 5.194 0.930 1.00 0.00 C ATOM 330 CG GLN A 25 15.043 5.653 2.142 1.00 0.00 C ATOM 331 CD GLN A 25 15.008 7.157 2.326 1.00 0.00 C ATOM 332 OE1 GLN A 25 14.261 7.675 3.157 1.00 0.00 O ATOM 333 NE2 GLN A 25 15.820 7.867 1.553 1.00 0.00 N ATOM 0 H GLN A 25 12.491 4.038 2.232 1.00 0.00 H new ATOM 0 HA GLN A 25 12.755 6.702 1.257 1.00 0.00 H new ATOM 0 HB2 GLN A 25 14.273 4.105 0.882 1.00 0.00 H new ATOM 0 HB3 GLN A 25 14.735 5.564 0.027 1.00 0.00 H new ATOM 0 HG2 GLN A 25 14.645 5.172 3.036 1.00 0.00 H new ATOM 0 HG3 GLN A 25 16.078 5.327 2.038 1.00 0.00 H new ATOM 0 HE21 GLN A 25 16.422 7.396 0.878 1.00 0.00 H new ATOM 0 HE22 GLN A 25 15.842 8.884 1.634 1.00 0.00 H new ATOM 342 N LEU A 26 12.342 4.393 -1.079 1.00 0.00 N ATOM 343 CA LEU A 26 11.827 4.170 -2.426 1.00 0.00 C ATOM 344 C LEU A 26 10.539 4.954 -2.653 1.00 0.00 C ATOM 345 O LEU A 26 10.271 5.423 -3.759 1.00 0.00 O ATOM 346 CB LEU A 26 11.577 2.678 -2.657 1.00 0.00 C ATOM 347 CG LEU A 26 12.701 1.735 -2.228 1.00 0.00 C ATOM 348 CD1 LEU A 26 12.437 0.326 -2.734 1.00 0.00 C ATOM 349 CD2 LEU A 26 14.044 2.242 -2.732 1.00 0.00 C ATOM 0 H LEU A 26 12.804 3.583 -0.665 1.00 0.00 H new ATOM 0 HA LEU A 26 12.575 4.521 -3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.669 2.395 -2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.385 2.522 -3.719 1.00 0.00 H new ATOM 0 HG LEU A 26 12.731 1.708 -1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.247 -0.331 -2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.495 -0.037 -2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.379 0.335 -3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.832 1.558 -2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.026 2.299 -3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.237 3.233 -2.320 1.00 0.00 H new ATOM 361 N LEU A 27 9.745 5.095 -1.597 1.00 0.00 N ATOM 362 CA LEU A 27 8.485 5.826 -1.679 1.00 0.00 C ATOM 363 C LEU A 27 8.731 7.328 -1.780 1.00 0.00 C ATOM 364 O LEU A 27 8.498 7.936 -2.826 1.00 0.00 O ATOM 365 CB LEU A 27 7.615 5.522 -0.458 1.00 0.00 C ATOM 366 CG LEU A 27 6.662 4.333 -0.591 1.00 0.00 C ATOM 367 CD1 LEU A 27 6.057 3.980 0.758 1.00 0.00 C ATOM 368 CD2 LEU A 27 5.569 4.637 -1.605 1.00 0.00 C ATOM 0 H LEU A 27 9.951 4.713 -0.674 1.00 0.00 H new ATOM 0 HA LEU A 27 7.964 5.501 -2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.270 5.343 0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.026 6.410 -0.226 1.00 0.00 H new ATOM 0 HG LEU A 27 7.231 3.474 -0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.382 3.132 0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.852 3.719 1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.502 4.836 1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.900 3.780 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.003 5.510 -1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.020 4.839 -2.576 1.00 0.00 H new ATOM 380 N ARG A 28 9.206 7.919 -0.689 1.00 0.00 N ATOM 381 CA ARG A 28 9.486 9.350 -0.656 1.00 0.00 C ATOM 382 C ARG A 28 10.294 9.774 -1.878 1.00 0.00 C ATOM 383 O ARG A 28 10.154 10.895 -2.367 1.00 0.00 O ATOM 384 CB ARG A 28 10.244 9.713 0.622 1.00 0.00 C ATOM 385 CG ARG A 28 11.733 9.416 0.553 1.00 0.00 C ATOM 386 CD ARG A 28 12.474 10.001 1.744 1.00 0.00 C ATOM 387 NE ARG A 28 12.838 11.399 1.529 1.00 0.00 N ATOM 388 CZ ARG A 28 13.336 12.183 2.480 1.00 0.00 C ATOM 389 NH1 ARG A 28 13.528 11.708 3.703 1.00 0.00 N ATOM 390 NH2 ARG A 28 13.644 13.444 2.206 1.00 0.00 N ATOM 0 H ARG A 28 9.405 7.430 0.184 1.00 0.00 H new ATOM 0 HA ARG A 28 8.535 9.882 -0.669 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.103 10.774 0.829 1.00 0.00 H new ATOM 0 HB3 ARG A 28 9.811 9.165 1.459 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.889 8.338 0.520 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.144 9.826 -0.370 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.850 9.922 2.634 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.375 9.417 1.933 1.00 0.00 H new ATOM 0 HE ARG A 28 12.703 11.795 0.599 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.293 10.739 3.916 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.910 12.312 4.431 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.499 13.812 1.266 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.026 14.046 2.936 1.00 0.00 H new ATOM 404 N GLN A 29 11.139 8.872 -2.365 1.00 0.00 N ATOM 405 CA GLN A 29 11.971 9.154 -3.528 1.00 0.00 C ATOM 406 C GLN A 29 11.114 9.544 -4.728 1.00 0.00 C ATOM 407 O GLN A 29 11.423 10.499 -5.441 1.00 0.00 O ATOM 408 CB GLN A 29 12.830 7.937 -3.876 1.00 0.00 C ATOM 409 CG GLN A 29 14.176 7.920 -3.168 1.00 0.00 C ATOM 410 CD GLN A 29 15.259 8.627 -3.960 1.00 0.00 C ATOM 411 OE1 GLN A 29 15.476 8.333 -5.136 1.00 0.00 O ATOM 412 NE2 GLN A 29 15.947 9.563 -3.318 1.00 0.00 N ATOM 0 H GLN A 29 11.266 7.939 -1.972 1.00 0.00 H new ATOM 0 HA GLN A 29 12.623 9.992 -3.281 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.282 7.030 -3.619 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.995 7.915 -4.953 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.075 8.395 -2.192 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.476 6.887 -2.990 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.734 9.774 -2.343 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.689 10.071 -3.799 1.00 0.00 H new ATOM 421 N LYS A 30 10.035 8.800 -4.945 1.00 0.00 N ATOM 422 CA LYS A 30 9.131 9.068 -6.058 1.00 0.00 C ATOM 423 C LYS A 30 8.976 10.568 -6.284 1.00 0.00 C ATOM 424 O LYS A 30 8.940 11.034 -7.422 1.00 0.00 O ATOM 425 CB LYS A 30 7.762 8.438 -5.793 1.00 0.00 C ATOM 426 CG LYS A 30 6.931 8.238 -7.049 1.00 0.00 C ATOM 427 CD LYS A 30 7.527 7.166 -7.947 1.00 0.00 C ATOM 428 CE LYS A 30 6.548 6.738 -9.029 1.00 0.00 C ATOM 429 NZ LYS A 30 7.232 6.032 -10.148 1.00 0.00 N ATOM 0 H LYS A 30 9.765 8.006 -4.365 1.00 0.00 H new ATOM 0 HA LYS A 30 9.561 8.625 -6.957 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.903 7.474 -5.304 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.209 9.070 -5.098 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.914 7.959 -6.773 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.866 9.178 -7.597 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.440 7.543 -8.409 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.808 6.301 -7.346 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.791 6.084 -8.596 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.028 7.615 -9.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.531 5.757 -10.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.937 6.664 -10.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.707 5.181 -9.783 1.00 0.00 H new ATOM 443 N GLY A 31 8.888 11.321 -5.192 1.00 0.00 N ATOM 444 CA GLY A 31 8.739 12.761 -5.293 1.00 0.00 C ATOM 445 C GLY A 31 7.331 13.174 -5.674 1.00 0.00 C ATOM 446 O GLY A 31 7.120 14.258 -6.219 1.00 0.00 O ATOM 0 H GLY A 31 8.917 10.959 -4.239 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.003 13.218 -4.339 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.440 13.144 -6.035 1.00 0.00 H new ATOM 450 N LYS A 32 6.365 12.308 -5.389 1.00 0.00 N ATOM 451 CA LYS A 32 4.969 12.586 -5.706 1.00 0.00 C ATOM 452 C LYS A 32 4.058 12.187 -4.549 1.00 0.00 C ATOM 453 O LYS A 32 3.835 11.002 -4.305 1.00 0.00 O ATOM 454 CB LYS A 32 4.554 11.841 -6.976 1.00 0.00 C ATOM 455 CG LYS A 32 4.946 12.557 -8.257 1.00 0.00 C ATOM 456 CD LYS A 32 4.109 12.090 -9.436 1.00 0.00 C ATOM 457 CE LYS A 32 2.760 12.792 -9.473 1.00 0.00 C ATOM 458 NZ LYS A 32 1.767 12.135 -8.579 1.00 0.00 N ATOM 0 H LYS A 32 6.523 11.407 -4.939 1.00 0.00 H new ATOM 0 HA LYS A 32 4.867 13.658 -5.872 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.008 10.850 -6.970 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.474 11.697 -6.966 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.823 13.632 -8.126 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.001 12.380 -8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.646 12.283 -10.364 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.958 11.012 -9.373 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.884 13.833 -9.174 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.381 12.797 -10.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.842 12.101 -9.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.081 11.167 -8.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.683 12.677 -7.696 1.00 0.00 H new ATOM 472 N GLU A 33 3.537 13.184 -3.841 1.00 0.00 N ATOM 473 CA GLU A 33 2.650 12.936 -2.711 1.00 0.00 C ATOM 474 C GLU A 33 1.471 12.060 -3.127 1.00 0.00 C ATOM 475 O GLU A 33 0.591 12.496 -3.867 1.00 0.00 O ATOM 476 CB GLU A 33 2.138 14.257 -2.134 1.00 0.00 C ATOM 477 CG GLU A 33 1.105 14.945 -3.010 1.00 0.00 C ATOM 478 CD GLU A 33 1.052 16.443 -2.785 1.00 0.00 C ATOM 479 OE1 GLU A 33 0.438 16.873 -1.787 1.00 0.00 O ATOM 480 OE2 GLU A 33 1.627 17.186 -3.608 1.00 0.00 O ATOM 0 H GLU A 33 3.714 14.171 -4.030 1.00 0.00 H new ATOM 0 HA GLU A 33 3.220 12.410 -1.945 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.703 14.070 -1.152 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.982 14.930 -1.986 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.333 14.747 -4.057 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.123 14.517 -2.811 1.00 0.00 H new ATOM 487 N GLY A 34 1.463 10.821 -2.644 1.00 0.00 N ATOM 488 CA GLY A 34 0.389 9.902 -2.976 1.00 0.00 C ATOM 489 C GLY A 34 0.900 8.541 -3.402 1.00 0.00 C ATOM 490 O GLY A 34 0.149 7.566 -3.423 1.00 0.00 O ATOM 0 H GLY A 34 2.181 10.437 -2.029 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.266 9.786 -2.112 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.214 10.328 -3.778 1.00 0.00 H new ATOM 494 N ALA A 35 2.183 8.473 -3.745 1.00 0.00 N ATOM 495 CA ALA A 35 2.795 7.221 -4.173 1.00 0.00 C ATOM 496 C ALA A 35 2.383 6.070 -3.262 1.00 0.00 C ATOM 497 O ALA A 35 2.021 6.280 -2.104 1.00 0.00 O ATOM 498 CB ALA A 35 4.310 7.358 -4.203 1.00 0.00 C ATOM 0 H ALA A 35 2.818 9.271 -3.735 1.00 0.00 H new ATOM 0 HA ALA A 35 2.442 6.997 -5.180 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.754 6.416 -4.524 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.590 8.148 -4.900 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.672 7.609 -3.206 1.00 0.00 H new ATOM 504 N PHE A 36 2.439 4.854 -3.792 1.00 0.00 N ATOM 505 CA PHE A 36 2.069 3.668 -3.027 1.00 0.00 C ATOM 506 C PHE A 36 2.826 2.440 -3.526 1.00 0.00 C ATOM 507 O PHE A 36 3.348 2.431 -4.641 1.00 0.00 O ATOM 508 CB PHE A 36 0.562 3.424 -3.120 1.00 0.00 C ATOM 509 CG PHE A 36 0.166 2.547 -4.273 1.00 0.00 C ATOM 510 CD1 PHE A 36 0.084 3.063 -5.557 1.00 0.00 C ATOM 511 CD2 PHE A 36 -0.123 1.207 -4.073 1.00 0.00 C ATOM 512 CE1 PHE A 36 -0.281 2.258 -6.619 1.00 0.00 C ATOM 513 CE2 PHE A 36 -0.488 0.397 -5.133 1.00 0.00 C ATOM 514 CZ PHE A 36 -0.566 0.924 -6.407 1.00 0.00 C ATOM 0 H PHE A 36 2.737 4.663 -4.749 1.00 0.00 H new ATOM 0 HA PHE A 36 2.338 3.841 -1.985 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.218 2.967 -2.192 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.052 4.383 -3.212 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.308 4.105 -5.729 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.063 0.790 -3.078 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.343 2.672 -7.614 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.712 -0.646 -4.965 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.850 0.293 -7.237 1.00 0.00 H new ATOM 524 N MET A 37 2.880 1.407 -2.693 1.00 0.00 N ATOM 525 CA MET A 37 3.572 0.174 -3.050 1.00 0.00 C ATOM 526 C MET A 37 3.148 -0.972 -2.136 1.00 0.00 C ATOM 527 O MET A 37 2.360 -0.781 -1.209 1.00 0.00 O ATOM 528 CB MET A 37 5.087 0.372 -2.969 1.00 0.00 C ATOM 529 CG MET A 37 5.578 0.743 -1.578 1.00 0.00 C ATOM 530 SD MET A 37 7.306 0.301 -1.311 1.00 0.00 S ATOM 531 CE MET A 37 8.104 1.273 -2.586 1.00 0.00 C ATOM 0 H MET A 37 2.453 1.399 -1.767 1.00 0.00 H new ATOM 0 HA MET A 37 3.300 -0.082 -4.074 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.583 -0.545 -3.288 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.381 1.153 -3.670 1.00 0.00 H new ATOM 0 HG2 MET A 37 5.454 1.815 -1.427 1.00 0.00 H new ATOM 0 HG3 MET A 37 4.960 0.242 -0.833 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.979 0.739 -2.956 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.406 1.439 -3.407 1.00 0.00 H new ATOM 0 HE3 MET A 37 8.412 2.233 -2.172 1.00 0.00 H new ATOM 541 N VAL A 38 3.675 -2.163 -2.403 1.00 0.00 N ATOM 542 CA VAL A 38 3.351 -3.339 -1.603 1.00 0.00 C ATOM 543 C VAL A 38 4.556 -4.263 -1.473 1.00 0.00 C ATOM 544 O VAL A 38 5.316 -4.447 -2.425 1.00 0.00 O ATOM 545 CB VAL A 38 2.177 -4.126 -2.214 1.00 0.00 C ATOM 546 CG1 VAL A 38 1.722 -5.227 -1.268 1.00 0.00 C ATOM 547 CG2 VAL A 38 1.026 -3.191 -2.550 1.00 0.00 C ATOM 0 H VAL A 38 4.328 -2.339 -3.167 1.00 0.00 H new ATOM 0 HA VAL A 38 3.063 -2.981 -0.614 1.00 0.00 H new ATOM 0 HB VAL A 38 2.517 -4.592 -3.139 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.892 -5.772 -1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.549 -5.913 -1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.399 -4.786 -0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.205 -3.764 -2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.684 -2.694 -1.642 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.362 -2.443 -3.268 1.00 0.00 H new ATOM 557 N ARG A 39 4.725 -4.843 -0.290 1.00 0.00 N ATOM 558 CA ARG A 39 5.838 -5.749 -0.034 1.00 0.00 C ATOM 559 C ARG A 39 5.339 -7.088 0.499 1.00 0.00 C ATOM 560 O ARG A 39 4.188 -7.210 0.916 1.00 0.00 O ATOM 561 CB ARG A 39 6.815 -5.122 0.963 1.00 0.00 C ATOM 562 CG ARG A 39 6.257 -5.009 2.372 1.00 0.00 C ATOM 563 CD ARG A 39 7.098 -4.078 3.230 1.00 0.00 C ATOM 564 NE ARG A 39 7.047 -4.442 4.645 1.00 0.00 N ATOM 565 CZ ARG A 39 7.399 -3.620 5.627 1.00 0.00 C ATOM 566 NH1 ARG A 39 7.824 -2.395 5.353 1.00 0.00 N ATOM 567 NH2 ARG A 39 7.325 -4.024 6.889 1.00 0.00 N ATOM 0 H ARG A 39 4.105 -4.702 0.507 1.00 0.00 H new ATOM 0 HA ARG A 39 6.355 -5.924 -0.978 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.727 -5.718 0.989 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.093 -4.129 0.611 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.232 -4.641 2.330 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.222 -5.997 2.831 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.132 -4.103 2.886 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.746 -3.054 3.106 1.00 0.00 H new ATOM 0 HE ARG A 39 6.724 -5.378 4.891 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.882 -2.080 4.385 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.093 -1.767 6.111 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.998 -4.966 7.105 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.595 -3.393 7.643 1.00 0.00 H new ATOM 581 N ASN A 40 6.212 -8.090 0.482 1.00 0.00 N ATOM 582 CA ASN A 40 5.859 -9.420 0.963 1.00 0.00 C ATOM 583 C ASN A 40 6.269 -9.598 2.422 1.00 0.00 C ATOM 584 O ASN A 40 7.388 -9.263 2.808 1.00 0.00 O ATOM 585 CB ASN A 40 6.529 -10.492 0.100 1.00 0.00 C ATOM 586 CG ASN A 40 6.816 -11.763 0.876 1.00 0.00 C ATOM 587 OD1 ASN A 40 7.945 -12.003 1.302 1.00 0.00 O ATOM 588 ND2 ASN A 40 5.790 -12.586 1.061 1.00 0.00 N ATOM 0 H ASN A 40 7.169 -8.006 0.140 1.00 0.00 H new ATOM 0 HA ASN A 40 4.777 -9.529 0.892 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.886 -10.725 -0.749 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.461 -10.098 -0.305 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.921 -13.458 1.574 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.871 -12.346 0.690 1.00 0.00 H new ATOM 595 N SER A 41 5.353 -10.125 3.228 1.00 0.00 N ATOM 596 CA SER A 41 5.617 -10.345 4.645 1.00 0.00 C ATOM 597 C SER A 41 6.513 -11.563 4.849 1.00 0.00 C ATOM 598 O SER A 41 6.468 -12.517 4.072 1.00 0.00 O ATOM 599 CB SER A 41 4.303 -10.530 5.407 1.00 0.00 C ATOM 600 OG SER A 41 3.553 -9.328 5.430 1.00 0.00 O ATOM 0 H SER A 41 4.421 -10.408 2.924 1.00 0.00 H new ATOM 0 HA SER A 41 6.134 -9.467 5.033 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.716 -11.320 4.939 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.513 -10.851 6.427 1.00 0.00 H new ATOM 0 HG SER A 41 2.717 -9.473 5.921 1.00 0.00 H new ATOM 657 N MET A 46 0.225 -12.909 5.243 1.00 0.00 N ATOM 658 CA MET A 46 -0.011 -11.491 5.490 1.00 0.00 C ATOM 659 C MET A 46 0.686 -10.633 4.438 1.00 0.00 C ATOM 660 O MET A 46 1.465 -11.138 3.630 1.00 0.00 O ATOM 661 CB MET A 46 0.482 -11.106 6.886 1.00 0.00 C ATOM 662 CG MET A 46 -0.480 -11.492 7.997 1.00 0.00 C ATOM 663 SD MET A 46 -0.378 -10.390 9.420 1.00 0.00 S ATOM 664 CE MET A 46 -1.968 -10.683 10.192 1.00 0.00 C ATOM 0 HA MET A 46 -1.084 -11.310 5.429 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.445 -11.584 7.067 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.650 -10.029 6.919 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.499 -11.484 7.609 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.269 -12.512 8.317 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.055 -10.070 11.089 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.764 -10.422 9.495 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.053 -11.736 10.462 1.00 0.00 H new ATOM 674 N TYR A 47 0.400 -9.337 4.454 1.00 0.00 N ATOM 675 CA TYR A 47 0.996 -8.410 3.500 1.00 0.00 C ATOM 676 C TYR A 47 1.075 -7.002 4.084 1.00 0.00 C ATOM 677 O TYR A 47 0.266 -6.621 4.929 1.00 0.00 O ATOM 678 CB TYR A 47 0.189 -8.391 2.202 1.00 0.00 C ATOM 679 CG TYR A 47 0.471 -9.567 1.295 1.00 0.00 C ATOM 680 CD1 TYR A 47 -0.240 -10.754 1.422 1.00 0.00 C ATOM 681 CD2 TYR A 47 1.449 -9.492 0.312 1.00 0.00 C ATOM 682 CE1 TYR A 47 0.015 -11.832 0.596 1.00 0.00 C ATOM 683 CE2 TYR A 47 1.710 -10.564 -0.519 1.00 0.00 C ATOM 684 CZ TYR A 47 0.991 -11.732 -0.373 1.00 0.00 C ATOM 685 OH TYR A 47 1.249 -12.803 -1.198 1.00 0.00 O ATOM 0 H TYR A 47 -0.242 -8.904 5.118 1.00 0.00 H new ATOM 0 HA TYR A 47 2.008 -8.752 3.285 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.873 -8.377 2.445 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.405 -7.468 1.664 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.005 -10.836 2.180 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.015 -8.580 0.195 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.547 -12.747 0.709 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.473 -10.488 -1.279 1.00 0.00 H new ATOM 0 HH TYR A 47 1.964 -12.568 -1.826 1.00 0.00 H new ATOM 695 N THR A 48 2.057 -6.232 3.625 1.00 0.00 N ATOM 696 CA THR A 48 2.245 -4.867 4.100 1.00 0.00 C ATOM 697 C THR A 48 2.205 -3.873 2.946 1.00 0.00 C ATOM 698 O THR A 48 3.061 -3.897 2.061 1.00 0.00 O ATOM 699 CB THR A 48 3.580 -4.712 4.851 1.00 0.00 C ATOM 700 OG1 THR A 48 3.831 -5.874 5.648 1.00 0.00 O ATOM 701 CG2 THR A 48 3.562 -3.475 5.738 1.00 0.00 C ATOM 0 H THR A 48 2.735 -6.531 2.924 1.00 0.00 H new ATOM 0 HA THR A 48 1.425 -4.656 4.786 1.00 0.00 H new ATOM 0 HB THR A 48 4.375 -4.599 4.114 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.683 -5.768 6.121 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.516 -3.387 6.258 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.400 -2.589 5.124 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.757 -3.562 6.468 1.00 0.00 H new ATOM 709 N VAL A 49 1.204 -2.997 2.959 1.00 0.00 N ATOM 710 CA VAL A 49 1.054 -1.992 1.913 1.00 0.00 C ATOM 711 C VAL A 49 1.566 -0.634 2.378 1.00 0.00 C ATOM 712 O VAL A 49 0.896 0.067 3.136 1.00 0.00 O ATOM 713 CB VAL A 49 -0.416 -1.852 1.476 1.00 0.00 C ATOM 714 CG1 VAL A 49 -0.549 -0.812 0.375 1.00 0.00 C ATOM 715 CG2 VAL A 49 -0.967 -3.196 1.022 1.00 0.00 C ATOM 0 H VAL A 49 0.486 -2.963 3.682 1.00 0.00 H new ATOM 0 HA VAL A 49 1.647 -2.329 1.063 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.001 -1.516 2.332 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.595 -0.727 0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.196 0.152 0.741 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.048 -1.115 -0.485 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.007 -3.079 0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.381 -3.564 0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.909 -3.910 1.844 1.00 0.00 H new ATOM 725 N SER A 50 2.758 -0.268 1.919 1.00 0.00 N ATOM 726 CA SER A 50 3.362 1.006 2.290 1.00 0.00 C ATOM 727 C SER A 50 3.118 2.058 1.214 1.00 0.00 C ATOM 728 O SER A 50 3.209 1.774 0.018 1.00 0.00 O ATOM 729 CB SER A 50 4.865 0.834 2.519 1.00 0.00 C ATOM 730 OG SER A 50 5.411 -0.122 1.627 1.00 0.00 O ATOM 0 H SER A 50 3.325 -0.836 1.289 1.00 0.00 H new ATOM 0 HA SER A 50 2.896 1.344 3.216 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.368 1.791 2.384 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.046 0.521 3.547 1.00 0.00 H new ATOM 0 HG SER A 50 6.057 -0.683 2.104 1.00 0.00 H new ATOM 736 N LEU A 51 2.807 3.276 1.644 1.00 0.00 N ATOM 737 CA LEU A 51 2.548 4.372 0.719 1.00 0.00 C ATOM 738 C LEU A 51 2.991 5.704 1.315 1.00 0.00 C ATOM 739 O LEU A 51 3.057 5.860 2.535 1.00 0.00 O ATOM 740 CB LEU A 51 1.060 4.429 0.366 1.00 0.00 C ATOM 741 CG LEU A 51 0.157 5.138 1.376 1.00 0.00 C ATOM 742 CD1 LEU A 51 0.146 6.636 1.122 1.00 0.00 C ATOM 743 CD2 LEU A 51 -1.255 4.573 1.315 1.00 0.00 C ATOM 0 H LEU A 51 2.728 3.529 2.629 1.00 0.00 H new ATOM 0 HA LEU A 51 3.124 4.191 -0.189 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.955 4.927 -0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.698 3.409 0.239 1.00 0.00 H new ATOM 0 HG LEU A 51 0.554 4.964 2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.502 7.124 1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.158 7.029 1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.227 6.832 0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.885 5.089 2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.662 4.717 0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.231 3.508 1.547 1.00 0.00 H new ATOM 755 N PHE A 52 3.292 6.665 0.447 1.00 0.00 N ATOM 756 CA PHE A 52 3.728 7.985 0.888 1.00 0.00 C ATOM 757 C PHE A 52 2.552 8.956 0.940 1.00 0.00 C ATOM 758 O PHE A 52 1.910 9.224 -0.075 1.00 0.00 O ATOM 759 CB PHE A 52 4.812 8.527 -0.047 1.00 0.00 C ATOM 760 CG PHE A 52 5.347 9.866 0.369 1.00 0.00 C ATOM 761 CD1 PHE A 52 4.611 11.020 0.154 1.00 0.00 C ATOM 762 CD2 PHE A 52 6.589 9.972 0.977 1.00 0.00 C ATOM 763 CE1 PHE A 52 5.103 12.254 0.536 1.00 0.00 C ATOM 764 CE2 PHE A 52 7.086 11.203 1.361 1.00 0.00 C ATOM 765 CZ PHE A 52 6.341 12.345 1.141 1.00 0.00 C ATOM 0 H PHE A 52 3.242 6.554 -0.566 1.00 0.00 H new ATOM 0 HA PHE A 52 4.141 7.888 1.892 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.635 7.813 -0.089 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.405 8.604 -1.055 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.642 10.955 -0.318 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.175 9.082 1.152 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.520 13.146 0.361 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.055 11.272 1.832 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.726 13.308 1.442 1.00 0.00 H new ATOM 775 N SER A 53 2.277 9.480 2.129 1.00 0.00 N ATOM 776 CA SER A 53 1.177 10.419 2.316 1.00 0.00 C ATOM 777 C SER A 53 1.692 11.772 2.798 1.00 0.00 C ATOM 778 O SER A 53 2.440 11.854 3.773 1.00 0.00 O ATOM 779 CB SER A 53 0.166 9.859 3.318 1.00 0.00 C ATOM 780 OG SER A 53 -0.855 10.803 3.594 1.00 0.00 O ATOM 0 H SER A 53 2.801 9.270 2.979 1.00 0.00 H new ATOM 0 HA SER A 53 0.685 10.560 1.354 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.277 8.946 2.921 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.677 9.590 4.243 1.00 0.00 H new ATOM 0 HG SER A 53 -1.489 10.421 4.236 1.00 0.00 H new ATOM 786 N LYS A 54 1.287 12.832 2.109 1.00 0.00 N ATOM 787 CA LYS A 54 1.706 14.183 2.465 1.00 0.00 C ATOM 788 C LYS A 54 0.571 15.179 2.245 1.00 0.00 C ATOM 789 O LYS A 54 0.099 15.360 1.123 1.00 0.00 O ATOM 790 CB LYS A 54 2.926 14.595 1.640 1.00 0.00 C ATOM 791 CG LYS A 54 3.230 16.081 1.705 1.00 0.00 C ATOM 792 CD LYS A 54 3.904 16.457 3.013 1.00 0.00 C ATOM 793 CE LYS A 54 4.396 17.897 2.995 1.00 0.00 C ATOM 794 NZ LYS A 54 5.580 18.090 3.878 1.00 0.00 N ATOM 0 H LYS A 54 0.668 12.782 1.300 1.00 0.00 H new ATOM 0 HA LYS A 54 1.972 14.188 3.522 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.796 14.039 1.990 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.764 14.311 0.600 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.874 16.358 0.870 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.305 16.647 1.596 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.203 16.322 3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.744 15.787 3.196 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.654 18.180 1.974 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.592 18.559 3.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.885 19.084 3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.327 17.845 4.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.356 17.477 3.557 1.00 0.00 H new ATOM 904 N GLY A 61 4.367 15.294 5.888 1.00 0.00 N ATOM 905 CA GLY A 61 5.131 14.319 5.133 1.00 0.00 C ATOM 906 C GLY A 61 5.643 13.185 5.998 1.00 0.00 C ATOM 907 O GLY A 61 6.709 13.289 6.606 1.00 0.00 O ATOM 0 HA2 GLY A 61 4.508 13.911 4.337 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.975 14.816 4.654 1.00 0.00 H new ATOM 911 N THR A 62 4.881 12.098 6.057 1.00 0.00 N ATOM 912 CA THR A 62 5.261 10.941 6.858 1.00 0.00 C ATOM 913 C THR A 62 4.760 9.647 6.227 1.00 0.00 C ATOM 914 O THR A 62 3.559 9.469 6.021 1.00 0.00 O ATOM 915 CB THR A 62 4.712 11.046 8.293 1.00 0.00 C ATOM 916 OG1 THR A 62 4.752 12.407 8.734 1.00 0.00 O ATOM 917 CG2 THR A 62 5.518 10.174 9.246 1.00 0.00 C ATOM 0 H THR A 62 3.997 11.994 5.559 1.00 0.00 H new ATOM 0 HA THR A 62 6.350 10.926 6.894 1.00 0.00 H new ATOM 0 HB THR A 62 3.680 10.696 8.290 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.400 12.466 9.647 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.112 10.264 10.253 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.461 9.134 8.924 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.559 10.498 9.244 1.00 0.00 H new ATOM 925 N VAL A 63 5.687 8.743 5.923 1.00 0.00 N ATOM 926 CA VAL A 63 5.337 7.465 5.317 1.00 0.00 C ATOM 927 C VAL A 63 4.511 6.611 6.272 1.00 0.00 C ATOM 928 O VAL A 63 4.916 6.358 7.406 1.00 0.00 O ATOM 929 CB VAL A 63 6.595 6.678 4.901 1.00 0.00 C ATOM 930 CG1 VAL A 63 6.234 5.247 4.537 1.00 0.00 C ATOM 931 CG2 VAL A 63 7.297 7.370 3.744 1.00 0.00 C ATOM 0 H VAL A 63 6.685 8.873 6.087 1.00 0.00 H new ATOM 0 HA VAL A 63 4.745 7.688 4.429 1.00 0.00 H new ATOM 0 HB VAL A 63 7.281 6.650 5.748 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.135 4.707 4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.779 4.756 5.397 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.529 5.250 3.706 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.183 6.801 3.463 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.620 7.431 2.892 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.592 8.375 4.046 1.00 0.00 H new ATOM 941 N LYS A 64 3.348 6.169 5.806 1.00 0.00 N ATOM 942 CA LYS A 64 2.462 5.342 6.618 1.00 0.00 C ATOM 943 C LYS A 64 2.651 3.864 6.294 1.00 0.00 C ATOM 944 O LYS A 64 3.231 3.511 5.267 1.00 0.00 O ATOM 945 CB LYS A 64 1.002 5.743 6.387 1.00 0.00 C ATOM 946 CG LYS A 64 0.533 6.872 7.287 1.00 0.00 C ATOM 947 CD LYS A 64 0.839 8.232 6.682 1.00 0.00 C ATOM 948 CE LYS A 64 0.949 9.307 7.751 1.00 0.00 C ATOM 949 NZ LYS A 64 1.121 10.663 7.161 1.00 0.00 N ATOM 0 H LYS A 64 2.996 6.370 4.870 1.00 0.00 H new ATOM 0 HA LYS A 64 2.715 5.502 7.666 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.876 6.043 5.347 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.365 4.873 6.547 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.540 6.781 7.457 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.018 6.788 8.260 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.772 8.180 6.120 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.055 8.501 5.974 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.054 9.293 8.373 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.794 9.085 8.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.158 11.371 7.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.006 10.695 6.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.319 10.872 6.532 1.00 0.00 H new ATOM 963 N HIS A 65 2.156 3.001 7.177 1.00 0.00 N ATOM 964 CA HIS A 65 2.269 1.560 6.984 1.00 0.00 C ATOM 965 C HIS A 65 0.977 0.855 7.386 1.00 0.00 C ATOM 966 O HIS A 65 0.570 0.900 8.548 1.00 0.00 O ATOM 967 CB HIS A 65 3.441 1.006 7.796 1.00 0.00 C ATOM 968 CG HIS A 65 3.151 0.886 9.260 1.00 0.00 C ATOM 969 ND1 HIS A 65 3.129 -0.322 9.927 1.00 0.00 N ATOM 970 CD2 HIS A 65 2.871 1.831 10.188 1.00 0.00 C ATOM 971 CE1 HIS A 65 2.847 -0.114 11.200 1.00 0.00 C ATOM 972 NE2 HIS A 65 2.686 1.184 11.385 1.00 0.00 N ATOM 0 H HIS A 65 1.673 3.275 8.033 1.00 0.00 H new ATOM 0 HA HIS A 65 2.450 1.373 5.925 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.711 0.025 7.406 1.00 0.00 H new ATOM 0 HB3 HIS A 65 4.307 1.654 7.657 1.00 0.00 H new ATOM 0 HD2 HIS A 65 2.805 2.896 10.018 1.00 0.00 H new ATOM 0 HE1 HIS A 65 2.762 -0.876 11.961 1.00 0.00 H new ATOM 0 HE2 HIS A 65 2.461 1.633 12.273 1.00 0.00 H new ATOM 981 N TYR A 66 0.338 0.207 6.419 1.00 0.00 N ATOM 982 CA TYR A 66 -0.910 -0.505 6.673 1.00 0.00 C ATOM 983 C TYR A 66 -0.705 -2.013 6.579 1.00 0.00 C ATOM 984 O TYR A 66 -0.366 -2.542 5.519 1.00 0.00 O ATOM 985 CB TYR A 66 -1.984 -0.063 5.677 1.00 0.00 C ATOM 986 CG TYR A 66 -2.250 1.426 5.695 1.00 0.00 C ATOM 987 CD1 TYR A 66 -3.095 1.989 6.644 1.00 0.00 C ATOM 988 CD2 TYR A 66 -1.657 2.269 4.764 1.00 0.00 C ATOM 989 CE1 TYR A 66 -3.342 3.348 6.665 1.00 0.00 C ATOM 990 CE2 TYR A 66 -1.897 3.630 4.777 1.00 0.00 C ATOM 991 CZ TYR A 66 -2.740 4.164 5.730 1.00 0.00 C ATOM 992 OH TYR A 66 -2.983 5.518 5.746 1.00 0.00 O ATOM 0 H TYR A 66 0.662 0.160 5.453 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.238 -0.263 7.684 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.679 -0.357 4.673 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -2.911 -0.592 5.897 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.567 1.353 7.378 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.997 1.854 4.017 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -4.002 3.769 7.409 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.428 4.272 4.046 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.482 5.949 5.022 1.00 0.00 H new ATOM 1002 N HIS A 67 -0.913 -2.703 7.696 1.00 0.00 N ATOM 1003 CA HIS A 67 -0.752 -4.152 7.742 1.00 0.00 C ATOM 1004 C HIS A 67 -2.054 -4.855 7.365 1.00 0.00 C ATOM 1005 O HIS A 67 -3.094 -4.629 7.983 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.307 -4.593 9.136 1.00 0.00 C ATOM 1007 CG HIS A 67 1.182 -4.625 9.306 1.00 0.00 C ATOM 1008 ND1 HIS A 67 1.932 -3.499 9.571 1.00 0.00 N ATOM 1009 CD2 HIS A 67 2.057 -5.655 9.250 1.00 0.00 C ATOM 1010 CE1 HIS A 67 3.207 -3.835 9.668 1.00 0.00 C ATOM 1011 NE2 HIS A 67 3.309 -5.138 9.478 1.00 0.00 N ATOM 0 H HIS A 67 -1.193 -2.282 8.582 1.00 0.00 H new ATOM 0 HA HIS A 67 0.015 -4.431 7.019 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.735 -3.917 9.876 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.710 -5.585 9.340 1.00 0.00 H new ATOM 0 HD2 HIS A 67 1.816 -6.691 9.061 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.025 -3.159 9.868 1.00 0.00 H new ATOM 0 HE2 HIS A 67 4.177 -5.674 9.497 1.00 0.00 H new ATOM 1020 N VAL A 68 -1.988 -5.707 6.346 1.00 0.00 N ATOM 1021 CA VAL A 68 -3.160 -6.443 5.888 1.00 0.00 C ATOM 1022 C VAL A 68 -3.602 -7.472 6.922 1.00 0.00 C ATOM 1023 O VAL A 68 -3.034 -8.560 7.012 1.00 0.00 O ATOM 1024 CB VAL A 68 -2.886 -7.157 4.551 1.00 0.00 C ATOM 1025 CG1 VAL A 68 -4.020 -8.114 4.216 1.00 0.00 C ATOM 1026 CG2 VAL A 68 -2.686 -6.142 3.436 1.00 0.00 C ATOM 0 H VAL A 68 -1.135 -5.904 5.822 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.957 -5.713 5.745 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.969 -7.738 4.650 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.810 -8.610 3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.110 -8.861 5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.954 -7.558 4.135 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.494 -6.664 2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.584 -5.532 3.334 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.837 -5.501 3.675 1.00 0.00 H new ATOM 1036 N HIS A 69 -4.620 -7.121 7.701 1.00 0.00 N ATOM 1037 CA HIS A 69 -5.140 -8.015 8.729 1.00 0.00 C ATOM 1038 C HIS A 69 -6.076 -9.055 8.121 1.00 0.00 C ATOM 1039 O HIS A 69 -6.803 -8.771 7.168 1.00 0.00 O ATOM 1040 CB HIS A 69 -5.875 -7.217 9.806 1.00 0.00 C ATOM 1041 CG HIS A 69 -4.979 -6.321 10.603 1.00 0.00 C ATOM 1042 ND1 HIS A 69 -4.116 -6.788 11.573 1.00 0.00 N ATOM 1043 CD2 HIS A 69 -4.814 -4.978 10.570 1.00 0.00 C ATOM 1044 CE1 HIS A 69 -3.461 -5.771 12.102 1.00 0.00 C ATOM 1045 NE2 HIS A 69 -3.865 -4.660 11.511 1.00 0.00 N ATOM 0 H HIS A 69 -5.101 -6.224 7.640 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.297 -8.533 9.185 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -6.651 -6.614 9.334 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.376 -7.910 10.482 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -5.332 -4.285 9.924 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -2.720 -5.836 12.885 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -3.527 -3.720 11.719 1.00 0.00 H new ATOM 1054 N THR A 70 -6.054 -10.262 8.678 1.00 0.00 N ATOM 1055 CA THR A 70 -6.899 -11.345 8.189 1.00 0.00 C ATOM 1056 C THR A 70 -8.023 -11.651 9.173 1.00 0.00 C ATOM 1057 O THR A 70 -7.820 -11.638 10.386 1.00 0.00 O ATOM 1058 CB THR A 70 -6.083 -12.628 7.945 1.00 0.00 C ATOM 1059 OG1 THR A 70 -4.799 -12.297 7.403 1.00 0.00 O ATOM 1060 CG2 THR A 70 -6.814 -13.562 6.993 1.00 0.00 C ATOM 0 H THR A 70 -5.460 -10.514 9.468 1.00 0.00 H new ATOM 0 HA THR A 70 -7.327 -11.010 7.244 1.00 0.00 H new ATOM 0 HB THR A 70 -5.954 -13.136 8.901 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.286 -13.118 7.252 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.218 -14.461 6.836 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.778 -13.836 7.421 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.970 -13.059 6.039 1.00 0.00 H new ATOM 1068 N ASN A 71 -9.209 -11.927 8.642 1.00 0.00 N ATOM 1069 CA ASN A 71 -10.367 -12.237 9.473 1.00 0.00 C ATOM 1070 C ASN A 71 -10.509 -13.744 9.667 1.00 0.00 C ATOM 1071 O ASN A 71 -9.682 -14.522 9.193 1.00 0.00 O ATOM 1072 CB ASN A 71 -11.640 -11.670 8.844 1.00 0.00 C ATOM 1073 CG ASN A 71 -12.709 -11.366 9.875 1.00 0.00 C ATOM 1074 OD1 ASN A 71 -12.486 -11.510 11.077 1.00 0.00 O ATOM 1075 ND2 ASN A 71 -13.878 -10.942 9.408 1.00 0.00 N ATOM 0 H ASN A 71 -9.394 -11.942 7.639 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.216 -11.775 10.449 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.397 -10.759 8.297 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.032 -12.383 8.118 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -14.636 -10.721 10.054 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -14.018 -10.837 8.403 1.00 0.00 H new ATOM 1082 N ALA A 72 -11.563 -14.147 10.367 1.00 0.00 N ATOM 1083 CA ALA A 72 -11.817 -15.561 10.622 1.00 0.00 C ATOM 1084 C ALA A 72 -12.026 -16.324 9.319 1.00 0.00 C ATOM 1085 O ALA A 72 -11.564 -17.455 9.172 1.00 0.00 O ATOM 1086 CB ALA A 72 -13.026 -15.725 11.532 1.00 0.00 C ATOM 0 H ALA A 72 -12.256 -13.515 10.768 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.942 -15.978 11.121 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.204 -16.785 11.714 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.839 -15.221 12.480 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -13.903 -15.287 11.055 1.00 0.00 H new ATOM 1092 N GLU A 73 -12.724 -15.698 8.376 1.00 0.00 N ATOM 1093 CA GLU A 73 -12.995 -16.322 7.086 1.00 0.00 C ATOM 1094 C GLU A 73 -11.852 -16.063 6.108 1.00 0.00 C ATOM 1095 O GLU A 73 -12.060 -16.007 4.897 1.00 0.00 O ATOM 1096 CB GLU A 73 -14.308 -15.794 6.506 1.00 0.00 C ATOM 1097 CG GLU A 73 -15.536 -16.535 7.006 1.00 0.00 C ATOM 1098 CD GLU A 73 -16.783 -16.206 6.208 1.00 0.00 C ATOM 1099 OE1 GLU A 73 -17.039 -16.892 5.197 1.00 0.00 O ATOM 1100 OE2 GLU A 73 -17.501 -15.260 6.595 1.00 0.00 O ATOM 0 H GLU A 73 -13.112 -14.760 8.481 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.082 -17.397 7.240 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.406 -14.737 6.754 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.269 -15.864 5.419 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.352 -17.608 6.959 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.704 -16.286 8.054 1.00 0.00 H new ATOM 1107 N ASN A 74 -10.646 -15.907 6.642 1.00 0.00 N ATOM 1108 CA ASN A 74 -9.471 -15.654 5.817 1.00 0.00 C ATOM 1109 C ASN A 74 -9.674 -14.418 4.946 1.00 0.00 C ATOM 1110 O ASN A 74 -9.141 -14.329 3.839 1.00 0.00 O ATOM 1111 CB ASN A 74 -9.168 -16.868 4.937 1.00 0.00 C ATOM 1112 CG ASN A 74 -8.861 -18.109 5.752 1.00 0.00 C ATOM 1113 OD1 ASN A 74 -7.933 -18.122 6.559 1.00 0.00 O ATOM 1114 ND2 ASN A 74 -9.643 -19.163 5.541 1.00 0.00 N ATOM 0 H ASN A 74 -10.456 -15.951 7.643 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.625 -15.475 6.480 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -10.021 -17.065 4.288 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.320 -16.642 4.290 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.484 -20.027 6.059 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.402 -19.107 4.861 1.00 0.00 H new ATOM 1121 N LYS A 75 -10.449 -13.464 5.452 1.00 0.00 N ATOM 1122 CA LYS A 75 -10.723 -12.232 4.723 1.00 0.00 C ATOM 1123 C LYS A 75 -9.569 -11.246 4.869 1.00 0.00 C ATOM 1124 O LYS A 75 -9.138 -10.938 5.981 1.00 0.00 O ATOM 1125 CB LYS A 75 -12.019 -11.594 5.226 1.00 0.00 C ATOM 1126 CG LYS A 75 -13.271 -12.340 4.795 1.00 0.00 C ATOM 1127 CD LYS A 75 -13.794 -11.827 3.464 1.00 0.00 C ATOM 1128 CE LYS A 75 -14.778 -12.804 2.839 1.00 0.00 C ATOM 1129 NZ LYS A 75 -16.133 -12.691 3.444 1.00 0.00 N ATOM 0 H LYS A 75 -10.899 -13.521 6.366 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.834 -12.481 3.668 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.992 -11.545 6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.074 -10.568 4.862 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.052 -13.405 4.715 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -14.042 -12.229 5.557 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.280 -10.862 3.610 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.959 -11.663 2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.843 -12.618 1.767 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.408 -13.822 2.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.774 -13.373 2.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -16.076 -12.893 4.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.497 -11.727 3.302 1.00 0.00 H new ATOM 1143 N LEU A 76 -9.072 -10.752 3.740 1.00 0.00 N ATOM 1144 CA LEU A 76 -7.968 -9.798 3.742 1.00 0.00 C ATOM 1145 C LEU A 76 -8.471 -8.383 3.478 1.00 0.00 C ATOM 1146 O LEU A 76 -9.450 -8.186 2.758 1.00 0.00 O ATOM 1147 CB LEU A 76 -6.930 -10.188 2.689 1.00 0.00 C ATOM 1148 CG LEU A 76 -6.779 -11.686 2.417 1.00 0.00 C ATOM 1149 CD1 LEU A 76 -6.325 -11.924 0.985 1.00 0.00 C ATOM 1150 CD2 LEU A 76 -5.801 -12.311 3.399 1.00 0.00 C ATOM 0 H LEU A 76 -9.416 -10.996 2.811 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.503 -9.820 4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.188 -9.693 1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.962 -9.796 3.000 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.751 -12.160 2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.223 -12.995 0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.062 -11.512 0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.364 -11.436 0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.707 -13.377 3.190 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.827 -11.833 3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.168 -12.172 4.416 1.00 0.00 H new ATOM 1162 N TYR A 77 -7.793 -7.401 4.063 1.00 0.00 N ATOM 1163 CA TYR A 77 -8.172 -6.003 3.890 1.00 0.00 C ATOM 1164 C TYR A 77 -7.118 -5.076 4.490 1.00 0.00 C ATOM 1165 O TYR A 77 -6.263 -5.508 5.264 1.00 0.00 O ATOM 1166 CB TYR A 77 -9.530 -5.737 4.539 1.00 0.00 C ATOM 1167 CG TYR A 77 -9.642 -6.268 5.951 1.00 0.00 C ATOM 1168 CD1 TYR A 77 -10.048 -7.575 6.192 1.00 0.00 C ATOM 1169 CD2 TYR A 77 -9.343 -5.463 7.042 1.00 0.00 C ATOM 1170 CE1 TYR A 77 -10.153 -8.065 7.479 1.00 0.00 C ATOM 1171 CE2 TYR A 77 -9.442 -5.945 8.334 1.00 0.00 C ATOM 1172 CZ TYR A 77 -9.848 -7.246 8.547 1.00 0.00 C ATOM 1173 OH TYR A 77 -9.950 -7.728 9.832 1.00 0.00 O ATOM 0 H TYR A 77 -6.979 -7.547 4.660 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.243 -5.801 2.821 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.714 -4.663 4.548 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.310 -6.189 3.927 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.286 -8.219 5.358 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.028 -4.443 6.879 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.472 -9.083 7.649 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.203 -5.307 9.172 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.698 -7.025 10.466 1.00 0.00 H new ATOM 1183 N LEU A 78 -7.188 -3.800 4.128 1.00 0.00 N ATOM 1184 CA LEU A 78 -6.242 -2.810 4.630 1.00 0.00 C ATOM 1185 C LEU A 78 -6.895 -1.916 5.679 1.00 0.00 C ATOM 1186 O LEU A 78 -6.244 -1.477 6.626 1.00 0.00 O ATOM 1187 CB LEU A 78 -5.707 -1.957 3.477 1.00 0.00 C ATOM 1188 CG LEU A 78 -4.475 -2.502 2.754 1.00 0.00 C ATOM 1189 CD1 LEU A 78 -3.962 -1.491 1.740 1.00 0.00 C ATOM 1190 CD2 LEU A 78 -3.385 -2.859 3.753 1.00 0.00 C ATOM 0 H LEU A 78 -7.890 -3.427 3.489 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.412 -3.340 5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.505 -1.828 2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.467 -0.967 3.865 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.761 -3.408 2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.085 -1.895 1.235 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.741 -1.285 1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.692 -0.567 2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.516 -3.245 3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.101 -1.969 4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.756 -3.619 4.441 1.00 0.00 H new ATOM 1202 N ALA A 79 -8.186 -1.653 5.504 1.00 0.00 N ATOM 1203 CA ALA A 79 -8.927 -0.815 6.438 1.00 0.00 C ATOM 1204 C ALA A 79 -9.972 -1.628 7.194 1.00 0.00 C ATOM 1205 O ALA A 79 -10.604 -2.521 6.630 1.00 0.00 O ATOM 1206 CB ALA A 79 -9.588 0.341 5.700 1.00 0.00 C ATOM 0 H ALA A 79 -8.740 -2.008 4.724 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.222 -0.412 7.165 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.138 0.959 6.410 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.824 0.944 5.210 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.276 -0.051 4.951 1.00 0.00 H new ATOM 1212 N GLU A 80 -10.149 -1.313 8.474 1.00 0.00 N ATOM 1213 CA GLU A 80 -11.117 -2.017 9.306 1.00 0.00 C ATOM 1214 C GLU A 80 -12.523 -1.894 8.728 1.00 0.00 C ATOM 1215 O GLU A 80 -12.739 -1.203 7.733 1.00 0.00 O ATOM 1216 CB GLU A 80 -11.090 -1.468 10.734 1.00 0.00 C ATOM 1217 CG GLU A 80 -9.703 -1.454 11.355 1.00 0.00 C ATOM 1218 CD GLU A 80 -9.552 -0.387 12.421 1.00 0.00 C ATOM 1219 OE1 GLU A 80 -9.863 -0.675 13.596 1.00 0.00 O ATOM 1220 OE2 GLU A 80 -9.123 0.736 12.083 1.00 0.00 O ATOM 0 H GLU A 80 -9.635 -0.576 8.956 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.842 -3.072 9.325 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.488 -0.453 10.732 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.752 -2.069 11.358 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.495 -2.431 11.792 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.961 -1.289 10.574 1.00 0.00 H new ATOM 1227 N ASN A 81 -13.478 -2.568 9.361 1.00 0.00 N ATOM 1228 CA ASN A 81 -14.865 -2.535 8.910 1.00 0.00 C ATOM 1229 C ASN A 81 -14.944 -2.616 7.388 1.00 0.00 C ATOM 1230 O ASN A 81 -15.858 -2.065 6.773 1.00 0.00 O ATOM 1231 CB ASN A 81 -15.552 -1.258 9.400 1.00 0.00 C ATOM 1232 CG ASN A 81 -17.042 -1.447 9.607 1.00 0.00 C ATOM 1233 OD1 ASN A 81 -17.494 -2.522 10.004 1.00 0.00 O ATOM 1234 ND2 ASN A 81 -17.814 -0.401 9.340 1.00 0.00 N ATOM 0 H ASN A 81 -13.317 -3.144 10.188 1.00 0.00 H new ATOM 0 HA ASN A 81 -15.378 -3.400 9.330 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -15.095 -0.939 10.337 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -15.387 -0.459 8.677 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -18.824 -0.469 9.462 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -17.397 0.471 9.013 1.00 0.00 H new ATOM 1241 N TYR A 82 -13.982 -3.307 6.788 1.00 0.00 N ATOM 1242 CA TYR A 82 -13.940 -3.461 5.339 1.00 0.00 C ATOM 1243 C TYR A 82 -13.307 -4.792 4.949 1.00 0.00 C ATOM 1244 O TYR A 82 -12.375 -5.263 5.602 1.00 0.00 O ATOM 1245 CB TYR A 82 -13.161 -2.306 4.705 1.00 0.00 C ATOM 1246 CG TYR A 82 -14.023 -1.116 4.350 1.00 0.00 C ATOM 1247 CD1 TYR A 82 -14.815 -1.123 3.208 1.00 0.00 C ATOM 1248 CD2 TYR A 82 -14.045 0.015 5.156 1.00 0.00 C ATOM 1249 CE1 TYR A 82 -15.604 -0.038 2.880 1.00 0.00 C ATOM 1250 CE2 TYR A 82 -14.832 1.105 4.836 1.00 0.00 C ATOM 1251 CZ TYR A 82 -15.609 1.074 3.697 1.00 0.00 C ATOM 1252 OH TYR A 82 -16.393 2.158 3.373 1.00 0.00 O ATOM 0 H TYR A 82 -13.220 -3.770 7.283 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.965 -3.446 4.968 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.379 -1.985 5.394 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.664 -2.666 3.804 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.813 -1.992 2.566 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.437 0.043 6.048 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -16.214 -0.060 1.989 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -14.839 1.976 5.474 1.00 0.00 H new ATOM 0 HH TYR A 82 -16.282 2.856 4.052 1.00 0.00 H new ATOM 1262 N CYS A 83 -13.819 -5.393 3.880 1.00 0.00 N ATOM 1263 CA CYS A 83 -13.303 -6.671 3.402 1.00 0.00 C ATOM 1264 C CYS A 83 -13.199 -6.680 1.880 1.00 0.00 C ATOM 1265 O CYS A 83 -14.063 -6.144 1.185 1.00 0.00 O ATOM 1266 CB CYS A 83 -14.203 -7.815 3.870 1.00 0.00 C ATOM 1267 SG CYS A 83 -14.160 -8.105 5.655 1.00 0.00 S ATOM 0 H CYS A 83 -14.590 -5.016 3.329 1.00 0.00 H new ATOM 0 HA CYS A 83 -12.305 -6.810 3.817 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -15.229 -7.601 3.572 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.906 -8.730 3.357 1.00 0.00 H new ATOM 0 HG CYS A 83 -13.468 -7.167 6.230 1.00 0.00 H new ATOM 1273 N PHE A 84 -12.135 -7.290 1.368 1.00 0.00 N ATOM 1274 CA PHE A 84 -11.917 -7.367 -0.072 1.00 0.00 C ATOM 1275 C PHE A 84 -11.784 -8.818 -0.525 1.00 0.00 C ATOM 1276 O PHE A 84 -11.935 -9.744 0.271 1.00 0.00 O ATOM 1277 CB PHE A 84 -10.662 -6.581 -0.461 1.00 0.00 C ATOM 1278 CG PHE A 84 -10.764 -5.110 -0.177 1.00 0.00 C ATOM 1279 CD1 PHE A 84 -10.754 -4.639 1.126 1.00 0.00 C ATOM 1280 CD2 PHE A 84 -10.871 -4.197 -1.214 1.00 0.00 C ATOM 1281 CE1 PHE A 84 -10.849 -3.285 1.389 1.00 0.00 C ATOM 1282 CE2 PHE A 84 -10.966 -2.842 -0.958 1.00 0.00 C ATOM 1283 CZ PHE A 84 -10.954 -2.386 0.345 1.00 0.00 C ATOM 0 H PHE A 84 -11.410 -7.738 1.929 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.781 -6.928 -0.570 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -9.806 -6.988 0.078 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -10.468 -6.725 -1.524 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.671 -5.337 1.946 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -10.880 -4.549 -2.235 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.841 -2.930 2.409 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -11.049 -2.141 -1.776 1.00 0.00 H new ATOM 0 HZ PHE A 84 -11.027 -1.328 0.548 1.00 0.00 H new ATOM 1293 N ASP A 85 -11.498 -9.005 -1.809 1.00 0.00 N ATOM 1294 CA ASP A 85 -11.343 -10.343 -2.369 1.00 0.00 C ATOM 1295 C ASP A 85 -9.905 -10.830 -2.226 1.00 0.00 C ATOM 1296 O ASP A 85 -9.658 -11.936 -1.746 1.00 0.00 O ATOM 1297 CB ASP A 85 -11.753 -10.352 -3.844 1.00 0.00 C ATOM 1298 CG ASP A 85 -11.725 -11.743 -4.443 1.00 0.00 C ATOM 1299 OD1 ASP A 85 -10.985 -12.601 -3.919 1.00 0.00 O ATOM 1300 OD2 ASP A 85 -12.445 -11.976 -5.438 1.00 0.00 O ATOM 0 H ASP A 85 -11.369 -8.248 -2.481 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.993 -11.019 -1.814 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.756 -9.937 -3.942 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.083 -9.703 -4.408 1.00 0.00 H new ATOM 1305 N SER A 86 -8.958 -9.995 -2.645 1.00 0.00 N ATOM 1306 CA SER A 86 -7.544 -10.342 -2.567 1.00 0.00 C ATOM 1307 C SER A 86 -6.692 -9.098 -2.337 1.00 0.00 C ATOM 1308 O SER A 86 -7.210 -7.984 -2.257 1.00 0.00 O ATOM 1309 CB SER A 86 -7.099 -11.047 -3.850 1.00 0.00 C ATOM 1310 OG SER A 86 -8.135 -11.865 -4.368 1.00 0.00 O ATOM 0 H SER A 86 -9.145 -9.074 -3.042 1.00 0.00 H new ATOM 0 HA SER A 86 -7.407 -11.017 -1.723 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.810 -10.305 -4.595 1.00 0.00 H new ATOM 0 HB3 SER A 86 -6.218 -11.656 -3.647 1.00 0.00 H new ATOM 0 HG SER A 86 -7.826 -12.303 -5.188 1.00 0.00 H new ATOM 1316 N ILE A 87 -5.383 -9.298 -2.228 1.00 0.00 N ATOM 1317 CA ILE A 87 -4.457 -8.193 -2.007 1.00 0.00 C ATOM 1318 C ILE A 87 -4.481 -7.214 -3.175 1.00 0.00 C ATOM 1319 O ILE A 87 -4.772 -6.028 -3.017 1.00 0.00 O ATOM 1320 CB ILE A 87 -3.017 -8.697 -1.803 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -2.743 -8.943 -0.318 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -2.020 -7.699 -2.372 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -3.214 -10.297 0.167 1.00 0.00 C ATOM 0 H ILE A 87 -4.939 -10.214 -2.289 1.00 0.00 H new ATOM 0 HA ILE A 87 -4.785 -7.683 -1.102 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.901 -9.641 -2.335 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.672 -8.853 -0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.234 -8.165 0.267 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.006 -8.070 -2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.203 -7.570 -3.439 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.135 -6.741 -1.866 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.987 -10.403 1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -4.290 -10.384 0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.704 -11.081 -0.393 1.00 0.00 H new ATOM 1335 N PRO A 88 -4.171 -7.720 -4.378 1.00 0.00 N ATOM 1336 CA PRO A 88 -4.152 -6.907 -5.598 1.00 0.00 C ATOM 1337 C PRO A 88 -5.550 -6.478 -6.030 1.00 0.00 C ATOM 1338 O PRO A 88 -5.755 -5.345 -6.466 1.00 0.00 O ATOM 1339 CB PRO A 88 -3.534 -7.844 -6.639 1.00 0.00 C ATOM 1340 CG PRO A 88 -3.836 -9.216 -6.140 1.00 0.00 C ATOM 1341 CD PRO A 88 -3.815 -9.124 -4.640 1.00 0.00 C ATOM 0 HA PRO A 88 -3.600 -5.978 -5.460 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -3.965 -7.678 -7.626 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.460 -7.683 -6.729 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.808 -9.556 -6.497 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.097 -9.933 -6.498 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.529 -9.811 -4.186 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.833 -9.371 -4.236 1.00 0.00 H new ATOM 1349 N LYS A 89 -6.508 -7.389 -5.907 1.00 0.00 N ATOM 1350 CA LYS A 89 -7.888 -7.106 -6.283 1.00 0.00 C ATOM 1351 C LYS A 89 -8.413 -5.881 -5.541 1.00 0.00 C ATOM 1352 O LYS A 89 -9.401 -5.270 -5.951 1.00 0.00 O ATOM 1353 CB LYS A 89 -8.777 -8.315 -5.988 1.00 0.00 C ATOM 1354 CG LYS A 89 -8.603 -9.455 -6.977 1.00 0.00 C ATOM 1355 CD LYS A 89 -9.885 -10.255 -7.138 1.00 0.00 C ATOM 1356 CE LYS A 89 -10.847 -9.579 -8.102 1.00 0.00 C ATOM 1357 NZ LYS A 89 -10.416 -9.738 -9.519 1.00 0.00 N ATOM 0 H LYS A 89 -6.354 -8.332 -5.549 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.912 -6.899 -7.353 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.558 -8.680 -4.984 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.820 -7.998 -5.992 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.299 -9.055 -7.944 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.803 -10.113 -6.638 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.648 -11.255 -7.501 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.365 -10.374 -6.167 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.844 -10.001 -7.976 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.917 -8.518 -7.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -11.176 -9.415 -10.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.561 -9.171 -9.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.210 -10.740 -9.709 1.00 0.00 H new ATOM 1371 N LEU A 90 -7.747 -5.526 -4.448 1.00 0.00 N ATOM 1372 CA LEU A 90 -8.146 -4.373 -3.649 1.00 0.00 C ATOM 1373 C LEU A 90 -7.519 -3.092 -4.190 1.00 0.00 C ATOM 1374 O LEU A 90 -8.194 -2.073 -4.336 1.00 0.00 O ATOM 1375 CB LEU A 90 -7.740 -4.575 -2.188 1.00 0.00 C ATOM 1376 CG LEU A 90 -7.538 -3.302 -1.365 1.00 0.00 C ATOM 1377 CD1 LEU A 90 -7.770 -3.579 0.112 1.00 0.00 C ATOM 1378 CD2 LEU A 90 -6.143 -2.737 -1.591 1.00 0.00 C ATOM 0 H LEU A 90 -6.928 -6.020 -4.095 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.230 -4.278 -3.709 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.503 -5.182 -1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.814 -5.149 -2.165 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.266 -2.560 -1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.622 -2.662 0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.789 -3.937 0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.066 -4.337 0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.017 -1.831 -0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.399 -3.474 -1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.013 -2.500 -2.647 1.00 0.00 H new ATOM 1390 N ILE A 91 -6.225 -3.153 -4.488 1.00 0.00 N ATOM 1391 CA ILE A 91 -5.509 -1.998 -5.016 1.00 0.00 C ATOM 1392 C ILE A 91 -6.294 -1.332 -6.140 1.00 0.00 C ATOM 1393 O ILE A 91 -6.444 -0.110 -6.167 1.00 0.00 O ATOM 1394 CB ILE A 91 -4.116 -2.394 -5.542 1.00 0.00 C ATOM 1395 CG1 ILE A 91 -3.286 -3.027 -4.423 1.00 0.00 C ATOM 1396 CG2 ILE A 91 -3.402 -1.178 -6.115 1.00 0.00 C ATOM 1397 CD1 ILE A 91 -3.018 -2.091 -3.265 1.00 0.00 C ATOM 0 H ILE A 91 -5.652 -3.989 -4.373 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.392 -1.294 -4.192 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.239 -3.128 -6.338 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.805 -3.911 -4.052 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.335 -3.365 -4.834 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.419 -1.473 -6.483 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.988 -0.765 -6.936 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.287 -0.424 -5.337 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.425 -2.607 -2.510 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.471 -1.218 -3.622 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.964 -1.773 -2.828 1.00 0.00 H new ATOM 1409 N HIS A 92 -6.795 -2.143 -7.067 1.00 0.00 N ATOM 1410 CA HIS A 92 -7.567 -1.631 -8.194 1.00 0.00 C ATOM 1411 C HIS A 92 -8.687 -0.714 -7.712 1.00 0.00 C ATOM 1412 O HIS A 92 -8.833 0.410 -8.194 1.00 0.00 O ATOM 1413 CB HIS A 92 -8.154 -2.788 -9.003 1.00 0.00 C ATOM 1414 CG HIS A 92 -8.627 -2.385 -10.366 1.00 0.00 C ATOM 1415 ND1 HIS A 92 -9.859 -2.743 -10.872 1.00 0.00 N ATOM 1416 CD2 HIS A 92 -8.025 -1.649 -11.330 1.00 0.00 C ATOM 1417 CE1 HIS A 92 -9.995 -2.246 -12.088 1.00 0.00 C ATOM 1418 NE2 HIS A 92 -8.896 -1.577 -12.390 1.00 0.00 N ATOM 0 H HIS A 92 -6.680 -3.157 -7.060 1.00 0.00 H new ATOM 0 HA HIS A 92 -6.896 -1.054 -8.831 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -7.400 -3.569 -9.105 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -8.988 -3.220 -8.451 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -7.043 -1.202 -11.276 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -10.857 -2.366 -12.727 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -8.723 -1.087 -13.268 1.00 0.00 H new ATOM 1427 N TYR A 93 -9.476 -1.199 -6.760 1.00 0.00 N ATOM 1428 CA TYR A 93 -10.584 -0.424 -6.216 1.00 0.00 C ATOM 1429 C TYR A 93 -10.103 0.932 -5.708 1.00 0.00 C ATOM 1430 O TYR A 93 -10.409 1.972 -6.294 1.00 0.00 O ATOM 1431 CB TYR A 93 -11.264 -1.193 -5.082 1.00 0.00 C ATOM 1432 CG TYR A 93 -12.154 -0.332 -4.214 1.00 0.00 C ATOM 1433 CD1 TYR A 93 -13.454 -0.031 -4.602 1.00 0.00 C ATOM 1434 CD2 TYR A 93 -11.695 0.182 -3.008 1.00 0.00 C ATOM 1435 CE1 TYR A 93 -14.270 0.756 -3.813 1.00 0.00 C ATOM 1436 CE2 TYR A 93 -12.504 0.970 -2.212 1.00 0.00 C ATOM 1437 CZ TYR A 93 -13.792 1.253 -2.618 1.00 0.00 C ATOM 1438 OH TYR A 93 -14.601 2.038 -1.830 1.00 0.00 O ATOM 0 H TYR A 93 -9.368 -2.126 -6.349 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.305 -0.257 -7.017 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -11.858 -2.001 -5.508 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -10.499 -1.655 -4.458 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.833 -0.419 -5.536 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -10.688 -0.038 -2.687 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -15.278 0.981 -4.130 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -12.130 1.362 -1.278 1.00 0.00 H new ATOM 0 HH TYR A 93 -14.213 2.110 -0.933 1.00 0.00 H new ATOM 1448 N HIS A 94 -9.347 0.913 -4.616 1.00 0.00 N ATOM 1449 CA HIS A 94 -8.820 2.141 -4.028 1.00 0.00 C ATOM 1450 C HIS A 94 -8.291 3.077 -5.110 1.00 0.00 C ATOM 1451 O HIS A 94 -8.765 4.203 -5.254 1.00 0.00 O ATOM 1452 CB HIS A 94 -7.709 1.818 -3.029 1.00 0.00 C ATOM 1453 CG HIS A 94 -8.210 1.549 -1.643 1.00 0.00 C ATOM 1454 ND1 HIS A 94 -8.342 2.533 -0.686 1.00 0.00 N ATOM 1455 CD2 HIS A 94 -8.614 0.398 -1.055 1.00 0.00 C ATOM 1456 CE1 HIS A 94 -8.803 1.999 0.430 1.00 0.00 C ATOM 1457 NE2 HIS A 94 -8.977 0.704 0.233 1.00 0.00 N ATOM 0 H HIS A 94 -9.085 0.061 -4.119 1.00 0.00 H new ATOM 0 HA HIS A 94 -9.634 2.642 -3.504 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -7.156 0.948 -3.382 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.006 2.651 -2.997 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -8.645 -0.579 -1.514 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -9.004 2.531 1.348 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -9.324 0.040 0.925 1.00 0.00 H new ATOM 1466 N GLN A 95 -7.306 2.604 -5.866 1.00 0.00 N ATOM 1467 CA GLN A 95 -6.713 3.400 -6.934 1.00 0.00 C ATOM 1468 C GLN A 95 -7.761 4.283 -7.602 1.00 0.00 C ATOM 1469 O GLN A 95 -7.485 5.428 -7.962 1.00 0.00 O ATOM 1470 CB GLN A 95 -6.058 2.489 -7.974 1.00 0.00 C ATOM 1471 CG GLN A 95 -4.925 3.155 -8.738 1.00 0.00 C ATOM 1472 CD GLN A 95 -5.405 4.286 -9.626 1.00 0.00 C ATOM 1473 OE1 GLN A 95 -6.187 4.075 -10.552 1.00 0.00 O ATOM 1474 NE2 GLN A 95 -4.938 5.497 -9.345 1.00 0.00 N ATOM 0 H GLN A 95 -6.902 1.674 -5.759 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.951 4.043 -6.493 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.675 1.599 -7.475 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -6.816 2.156 -8.682 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -4.192 3.541 -8.030 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.416 2.409 -9.349 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -4.291 5.626 -8.567 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -5.227 6.298 -9.907 1.00 0.00 H new ATOM 1483 N HIS A 96 -8.965 3.745 -7.765 1.00 0.00 N ATOM 1484 CA HIS A 96 -10.056 4.485 -8.389 1.00 0.00 C ATOM 1485 C HIS A 96 -10.818 5.306 -7.353 1.00 0.00 C ATOM 1486 O HIS A 96 -11.054 6.499 -7.545 1.00 0.00 O ATOM 1487 CB HIS A 96 -11.011 3.524 -9.098 1.00 0.00 C ATOM 1488 CG HIS A 96 -10.445 2.934 -10.353 1.00 0.00 C ATOM 1489 ND1 HIS A 96 -11.165 2.823 -11.524 1.00 0.00 N ATOM 1490 CD2 HIS A 96 -9.219 2.424 -10.616 1.00 0.00 C ATOM 1491 CE1 HIS A 96 -10.407 2.267 -12.452 1.00 0.00 C ATOM 1492 NE2 HIS A 96 -9.222 2.016 -11.928 1.00 0.00 N ATOM 0 H HIS A 96 -9.210 2.799 -7.474 1.00 0.00 H new ATOM 0 HA HIS A 96 -9.627 5.167 -9.123 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -11.275 2.717 -8.414 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -11.933 4.053 -9.339 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -8.393 2.351 -9.924 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -10.706 2.054 -13.468 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -8.436 1.588 -12.418 1.00 0.00 H new ATOM 1501 N ASN A 97 -11.201 4.660 -6.257 1.00 0.00 N ATOM 1502 CA ASN A 97 -11.938 5.331 -5.192 1.00 0.00 C ATOM 1503 C ASN A 97 -11.585 4.739 -3.831 1.00 0.00 C ATOM 1504 O ASN A 97 -11.987 3.623 -3.504 1.00 0.00 O ATOM 1505 CB ASN A 97 -13.444 5.217 -5.435 1.00 0.00 C ATOM 1506 CG ASN A 97 -13.803 5.331 -6.904 1.00 0.00 C ATOM 1507 OD1 ASN A 97 -14.085 6.421 -7.402 1.00 0.00 O ATOM 1508 ND2 ASN A 97 -13.793 4.203 -7.605 1.00 0.00 N ATOM 0 H ASN A 97 -11.013 3.673 -6.083 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.655 6.384 -5.196 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -13.800 4.261 -5.050 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -13.960 5.998 -4.876 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.025 4.218 -8.598 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -13.553 3.322 -7.150 1.00 0.00 H new ATOM 1515 N SER A 98 -10.832 5.497 -3.040 1.00 0.00 N ATOM 1516 CA SER A 98 -10.422 5.048 -1.715 1.00 0.00 C ATOM 1517 C SER A 98 -11.629 4.611 -0.891 1.00 0.00 C ATOM 1518 O SER A 98 -12.774 4.869 -1.263 1.00 0.00 O ATOM 1519 CB SER A 98 -9.669 6.163 -0.985 1.00 0.00 C ATOM 1520 OG SER A 98 -10.537 7.234 -0.659 1.00 0.00 O ATOM 0 H SER A 98 -10.494 6.425 -3.294 1.00 0.00 H new ATOM 0 HA SER A 98 -9.759 4.192 -1.839 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.218 5.767 -0.076 1.00 0.00 H new ATOM 0 HB3 SER A 98 -8.855 6.528 -1.612 1.00 0.00 H new ATOM 0 HG SER A 98 -10.033 7.933 -0.192 1.00 0.00 H new ATOM 1526 N ALA A 99 -11.365 3.946 0.228 1.00 0.00 N ATOM 1527 CA ALA A 99 -12.429 3.475 1.107 1.00 0.00 C ATOM 1528 C ALA A 99 -12.615 4.411 2.296 1.00 0.00 C ATOM 1529 O ALA A 99 -13.700 4.949 2.509 1.00 0.00 O ATOM 1530 CB ALA A 99 -12.130 2.062 1.585 1.00 0.00 C ATOM 0 H ALA A 99 -10.423 3.721 0.548 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.359 3.466 0.539 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -12.932 1.722 2.240 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -12.056 1.395 0.726 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.187 2.055 2.132 1.00 0.00 H new ATOM 1536 N GLY A 100 -11.549 4.598 3.067 1.00 0.00 N ATOM 1537 CA GLY A 100 -11.616 5.469 4.227 1.00 0.00 C ATOM 1538 C GLY A 100 -10.443 6.425 4.302 1.00 0.00 C ATOM 1539 O GLY A 100 -10.127 7.109 3.329 1.00 0.00 O ATOM 0 H GLY A 100 -10.640 4.162 2.910 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -12.544 6.039 4.196 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -11.645 4.862 5.132 1.00 0.00 H new ATOM 1543 N MET A 101 -9.796 6.474 5.461 1.00 0.00 N ATOM 1544 CA MET A 101 -8.650 7.355 5.660 1.00 0.00 C ATOM 1545 C MET A 101 -7.579 7.101 4.605 1.00 0.00 C ATOM 1546 O MET A 101 -7.147 8.023 3.912 1.00 0.00 O ATOM 1547 CB MET A 101 -8.062 7.156 7.058 1.00 0.00 C ATOM 1548 CG MET A 101 -7.379 8.394 7.614 1.00 0.00 C ATOM 1549 SD MET A 101 -6.447 8.058 9.121 1.00 0.00 S ATOM 1550 CE MET A 101 -4.821 8.643 8.652 1.00 0.00 C ATOM 0 H MET A 101 -10.045 5.915 6.277 1.00 0.00 H new ATOM 0 HA MET A 101 -8.995 8.384 5.562 1.00 0.00 H new ATOM 0 HB2 MET A 101 -8.859 6.855 7.738 1.00 0.00 H new ATOM 0 HB3 MET A 101 -7.343 6.338 7.027 1.00 0.00 H new ATOM 0 HG2 MET A 101 -6.707 8.803 6.860 1.00 0.00 H new ATOM 0 HG3 MET A 101 -8.130 9.157 7.819 1.00 0.00 H new ATOM 0 HE1 MET A 101 -4.130 8.502 9.483 1.00 0.00 H new ATOM 0 HE2 MET A 101 -4.468 8.081 7.787 1.00 0.00 H new ATOM 0 HE3 MET A 101 -4.874 9.702 8.400 1.00 0.00 H new ATOM 1560 N ILE A 102 -7.156 5.846 4.487 1.00 0.00 N ATOM 1561 CA ILE A 102 -6.136 5.473 3.515 1.00 0.00 C ATOM 1562 C ILE A 102 -6.279 6.283 2.231 1.00 0.00 C ATOM 1563 O ILE A 102 -7.153 6.014 1.407 1.00 0.00 O ATOM 1564 CB ILE A 102 -6.209 3.973 3.173 1.00 0.00 C ATOM 1565 CG1 ILE A 102 -5.921 3.130 4.417 1.00 0.00 C ATOM 1566 CG2 ILE A 102 -5.227 3.636 2.060 1.00 0.00 C ATOM 1567 CD1 ILE A 102 -6.268 1.667 4.249 1.00 0.00 C ATOM 0 H ILE A 102 -7.504 5.071 5.052 1.00 0.00 H new ATOM 0 HA ILE A 102 -5.170 5.688 3.971 1.00 0.00 H new ATOM 0 HB ILE A 102 -7.216 3.743 2.826 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -4.864 3.218 4.669 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.484 3.534 5.258 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.290 2.573 1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -5.473 4.216 1.170 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -4.214 3.878 2.383 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -6.038 1.130 5.169 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -7.331 1.568 4.027 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -5.686 1.247 3.429 1.00 0.00 H new ATOM 1579 N THR A 103 -5.410 7.276 2.064 1.00 0.00 N ATOM 1580 CA THR A 103 -5.438 8.125 0.880 1.00 0.00 C ATOM 1581 C THR A 103 -5.588 7.294 -0.389 1.00 0.00 C ATOM 1582 O THR A 103 -5.171 6.136 -0.437 1.00 0.00 O ATOM 1583 CB THR A 103 -4.160 8.980 0.772 1.00 0.00 C ATOM 1584 OG1 THR A 103 -4.322 9.977 -0.242 1.00 0.00 O ATOM 1585 CG2 THR A 103 -2.954 8.112 0.449 1.00 0.00 C ATOM 0 H THR A 103 -4.678 7.511 2.734 1.00 0.00 H new ATOM 0 HA THR A 103 -6.300 8.784 0.984 1.00 0.00 H new ATOM 0 HB THR A 103 -3.991 9.465 1.734 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.506 10.517 -0.303 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.064 8.737 0.378 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.816 7.373 1.238 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.116 7.603 -0.501 1.00 0.00 H new ATOM 1593 N ARG A 104 -6.184 7.892 -1.415 1.00 0.00 N ATOM 1594 CA ARG A 104 -6.390 7.207 -2.684 1.00 0.00 C ATOM 1595 C ARG A 104 -5.068 7.028 -3.426 1.00 0.00 C ATOM 1596 O ARG A 104 -4.502 7.989 -3.948 1.00 0.00 O ATOM 1597 CB ARG A 104 -7.374 7.988 -3.557 1.00 0.00 C ATOM 1598 CG ARG A 104 -7.909 7.190 -4.735 1.00 0.00 C ATOM 1599 CD ARG A 104 -8.842 8.026 -5.597 1.00 0.00 C ATOM 1600 NE ARG A 104 -8.133 9.095 -6.294 1.00 0.00 N ATOM 1601 CZ ARG A 104 -8.742 10.055 -6.982 1.00 0.00 C ATOM 1602 NH1 ARG A 104 -10.065 10.079 -7.064 1.00 0.00 N ATOM 1603 NH2 ARG A 104 -8.028 10.994 -7.589 1.00 0.00 N ATOM 0 H ARG A 104 -6.533 8.850 -1.392 1.00 0.00 H new ATOM 0 HA ARG A 104 -6.806 6.222 -2.472 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.211 8.317 -2.941 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -6.882 8.886 -3.931 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -7.077 6.831 -5.340 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -8.440 6.311 -4.369 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -9.335 7.383 -6.326 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.624 8.457 -4.972 1.00 0.00 H new ATOM 0 HE ARG A 104 -7.114 9.106 -6.250 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -10.618 9.359 -6.598 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -10.530 10.817 -7.593 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -7.010 10.980 -7.528 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -8.497 11.730 -8.117 1.00 0.00 H new ATOM 1617 N LEU A 105 -4.581 5.792 -3.468 1.00 0.00 N ATOM 1618 CA LEU A 105 -3.325 5.487 -4.145 1.00 0.00 C ATOM 1619 C LEU A 105 -3.171 6.325 -5.410 1.00 0.00 C ATOM 1620 O LEU A 105 -3.929 6.166 -6.368 1.00 0.00 O ATOM 1621 CB LEU A 105 -3.260 3.999 -4.493 1.00 0.00 C ATOM 1622 CG LEU A 105 -3.855 3.041 -3.460 1.00 0.00 C ATOM 1623 CD1 LEU A 105 -3.587 1.597 -3.855 1.00 0.00 C ATOM 1624 CD2 LEU A 105 -3.289 3.331 -2.077 1.00 0.00 C ATOM 0 H LEU A 105 -5.037 4.985 -3.041 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.506 5.732 -3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.776 3.845 -5.441 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.216 3.729 -4.651 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.934 3.194 -3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.018 0.930 -3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.039 1.395 -4.826 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.512 1.430 -3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.723 2.640 -1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.206 3.206 -2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.532 4.355 -1.792 1.00 0.00 H new ATOM 1636 N ARG A 106 -2.185 7.214 -5.408 1.00 0.00 N ATOM 1637 CA ARG A 106 -1.930 8.076 -6.555 1.00 0.00 C ATOM 1638 C ARG A 106 -1.172 7.323 -7.644 1.00 0.00 C ATOM 1639 O ARG A 106 -1.719 7.032 -8.709 1.00 0.00 O ATOM 1640 CB ARG A 106 -1.135 9.312 -6.128 1.00 0.00 C ATOM 1641 CG ARG A 106 -1.285 10.491 -7.074 1.00 0.00 C ATOM 1642 CD ARG A 106 -2.476 11.359 -6.699 1.00 0.00 C ATOM 1643 NE ARG A 106 -2.143 12.325 -5.657 1.00 0.00 N ATOM 1644 CZ ARG A 106 -2.889 13.387 -5.373 1.00 0.00 C ATOM 1645 NH1 ARG A 106 -4.005 13.618 -6.051 1.00 0.00 N ATOM 1646 NH2 ARG A 106 -2.519 14.221 -4.410 1.00 0.00 N ATOM 0 H ARG A 106 -1.548 7.357 -4.624 1.00 0.00 H new ATOM 0 HA ARG A 106 -2.892 8.393 -6.958 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.457 9.614 -5.131 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.080 9.047 -6.056 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.376 11.092 -7.055 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.406 10.127 -8.094 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.832 11.888 -7.583 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.294 10.724 -6.357 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.290 12.177 -5.117 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -4.293 12.980 -6.793 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -4.576 14.434 -5.831 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -1.661 14.047 -3.887 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.093 15.036 -4.193 1.00 0.00 H new ATOM 1660 N HIS A 107 0.090 7.008 -7.370 1.00 0.00 N ATOM 1661 CA HIS A 107 0.924 6.288 -8.325 1.00 0.00 C ATOM 1662 C HIS A 107 1.680 5.154 -7.641 1.00 0.00 C ATOM 1663 O HIS A 107 2.059 5.245 -6.472 1.00 0.00 O ATOM 1664 CB HIS A 107 1.911 7.244 -8.996 1.00 0.00 C ATOM 1665 CG HIS A 107 1.285 8.116 -10.040 1.00 0.00 C ATOM 1666 ND1 HIS A 107 1.347 7.838 -11.389 1.00 0.00 N ATOM 1667 CD2 HIS A 107 0.580 9.267 -9.926 1.00 0.00 C ATOM 1668 CE1 HIS A 107 0.708 8.780 -12.061 1.00 0.00 C ATOM 1669 NE2 HIS A 107 0.234 9.660 -11.196 1.00 0.00 N ATOM 0 H HIS A 107 0.557 7.240 -6.494 1.00 0.00 H new ATOM 0 HA HIS A 107 0.272 5.858 -9.086 1.00 0.00 H new ATOM 0 HB2 HIS A 107 2.368 7.875 -8.234 1.00 0.00 H new ATOM 0 HB3 HIS A 107 2.713 6.664 -9.452 1.00 0.00 H new ATOM 0 HD2 HIS A 107 0.335 9.780 -9.008 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.593 8.823 -13.134 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -0.302 10.495 -11.433 1.00 0.00 H new ATOM 1678 N PRO A 108 1.906 4.060 -8.382 1.00 0.00 N ATOM 1679 CA PRO A 108 2.619 2.887 -7.865 1.00 0.00 C ATOM 1680 C PRO A 108 4.102 3.163 -7.643 1.00 0.00 C ATOM 1681 O PRO A 108 4.687 4.030 -8.292 1.00 0.00 O ATOM 1682 CB PRO A 108 2.428 1.842 -8.968 1.00 0.00 C ATOM 1683 CG PRO A 108 2.209 2.637 -10.209 1.00 0.00 C ATOM 1684 CD PRO A 108 1.483 3.882 -9.781 1.00 0.00 C ATOM 0 HA PRO A 108 2.239 2.574 -6.892 1.00 0.00 H new ATOM 0 HB2 PRO A 108 3.303 1.198 -9.059 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.577 1.195 -8.757 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.157 2.883 -10.687 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.623 2.074 -10.935 1.00 0.00 H new ATOM 0 HD2 PRO A 108 1.758 4.739 -10.396 1.00 0.00 H new ATOM 0 HD3 PRO A 108 0.402 3.765 -9.862 1.00 0.00 H new ATOM 1692 N VAL A 109 4.706 2.417 -6.723 1.00 0.00 N ATOM 1693 CA VAL A 109 6.122 2.579 -6.416 1.00 0.00 C ATOM 1694 C VAL A 109 6.792 1.230 -6.178 1.00 0.00 C ATOM 1695 O VAL A 109 6.196 0.326 -5.592 1.00 0.00 O ATOM 1696 CB VAL A 109 6.330 3.469 -5.177 1.00 0.00 C ATOM 1697 CG1 VAL A 109 7.812 3.626 -4.874 1.00 0.00 C ATOM 1698 CG2 VAL A 109 5.672 4.826 -5.380 1.00 0.00 C ATOM 0 H VAL A 109 4.236 1.694 -6.177 1.00 0.00 H new ATOM 0 HA VAL A 109 6.579 3.060 -7.281 1.00 0.00 H new ATOM 0 HB VAL A 109 5.859 2.986 -4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 109 7.939 4.258 -3.995 1.00 0.00 H new ATOM 0 HG12 VAL A 109 8.250 2.646 -4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.311 4.086 -5.727 1.00 0.00 H new ATOM 0 HG21 VAL A 109 5.829 5.442 -4.495 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.112 5.318 -6.247 1.00 0.00 H new ATOM 0 HG23 VAL A 109 4.603 4.691 -5.544 1.00 0.00 H new ATOM 1708 N SER A 110 8.033 1.103 -6.634 1.00 0.00 N ATOM 1709 CA SER A 110 8.783 -0.137 -6.473 1.00 0.00 C ATOM 1710 C SER A 110 10.279 0.143 -6.365 1.00 0.00 C ATOM 1711 O SER A 110 10.707 1.294 -6.384 1.00 0.00 O ATOM 1712 CB SER A 110 8.511 -1.079 -7.648 1.00 0.00 C ATOM 1713 OG SER A 110 9.297 -0.728 -8.774 1.00 0.00 O ATOM 0 H SER A 110 8.541 1.843 -7.118 1.00 0.00 H new ATOM 0 HA SER A 110 8.454 -0.615 -5.550 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.729 -2.106 -7.354 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.454 -1.041 -7.912 1.00 0.00 H new ATOM 0 HG SER A 110 9.107 -1.345 -9.511 1.00 0.00 H new