USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 757 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 22 TYR OH : rot 150:sc= 0 USER MOD Set 1.2: A 104 HIS : no HD1:sc= -3.35! C(o=-3.4!,f=-4.1!) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0273 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.393 K(o=-0.39,f=-3.1!) USER MOD Single : A 13 SER OG : rot -159:sc= -1.28! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -1.42 K(o=-1.4,f=-3.5!) USER MOD Single : A 19 TYR OH : rot 30:sc= -4.06! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.369 X(o=-0.37,f=-0.011) USER MOD Single : A 30 ASN : amide:sc=-0.00895 X(o=-0.009,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -179:sc= 0.292 (180deg=0.29) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -87:sc= -0.167! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -14:sc= 0.414 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.076 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -2.85! K(o=-2.8!,f=-1.7) USER MOD Single : A 82 CYS SG : rot -168:sc= -2.34 USER MOD Single : A 84 GLN : amide:sc= -0.185 K(o=-0.19,f=-2!) USER MOD Single : A 85 ASN : amide:sc= -2.26! C(o=-2.3!,f=-2.8!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 90:sc= 0 USER MOD Single : A 95 SER OG : rot -66:sc= 0.917 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 7 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA LEU A 7 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C LEU A 7 1.921 -1.361 -1.927 1.00 0.00 C ATOM 4 O LEU A 7 1.250 -2.250 -1.404 1.00 0.00 O ATOM 5 CB LEU A 7 3.528 0.403 -0.996 1.00 0.00 C ATOM 6 CG LEU A 7 3.746 1.799 -0.408 1.00 0.00 C ATOM 7 CD1 LEU A 7 5.206 1.999 0.003 1.00 0.00 C ATOM 8 CD2 LEU A 7 3.269 2.883 -1.376 1.00 0.00 C ATOM 0 HA LEU A 7 1.672 0.747 -1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.976 -0.327 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.069 0.340 -1.940 1.00 0.00 H new ATOM 0 HG LEU A 7 3.142 1.887 0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.334 2.999 0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.477 1.257 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.849 1.883 -0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.436 3.865 -0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.825 2.807 -2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.206 2.750 -1.575 1.00 0.00 H new ATOM 20 N SER A 8 2.554 -1.482 -3.085 1.00 0.00 N ATOM 21 CA SER A 8 2.497 -2.720 -3.843 1.00 0.00 C ATOM 22 C SER A 8 3.015 -3.880 -2.991 1.00 0.00 C ATOM 23 O SER A 8 3.723 -3.666 -2.008 1.00 0.00 O ATOM 24 CB SER A 8 3.305 -2.610 -5.138 1.00 0.00 C ATOM 25 OG SER A 8 3.242 -1.301 -5.697 1.00 0.00 O ATOM 0 H SER A 8 3.109 -0.743 -3.516 1.00 0.00 H new ATOM 0 HA SER A 8 1.457 -2.910 -4.110 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.345 -2.870 -4.940 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.929 -3.332 -5.863 1.00 0.00 H new ATOM 0 HG SER A 8 3.772 -1.271 -6.521 1.00 0.00 H new ATOM 31 N LEU A 9 2.643 -5.085 -3.399 1.00 0.00 N ATOM 32 CA LEU A 9 3.061 -6.279 -2.685 1.00 0.00 C ATOM 33 C LEU A 9 4.528 -6.136 -2.275 1.00 0.00 C ATOM 34 O LEU A 9 4.916 -6.554 -1.185 1.00 0.00 O ATOM 35 CB LEU A 9 2.775 -7.529 -3.519 1.00 0.00 C ATOM 36 CG LEU A 9 1.423 -7.564 -4.234 1.00 0.00 C ATOM 37 CD1 LEU A 9 1.098 -8.976 -4.725 1.00 0.00 C ATOM 38 CD2 LEU A 9 0.316 -6.999 -3.342 1.00 0.00 C ATOM 0 H LEU A 9 2.057 -5.260 -4.215 1.00 0.00 H new ATOM 0 HA LEU A 9 2.483 -6.396 -1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.562 -7.630 -4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.841 -8.400 -2.867 1.00 0.00 H new ATOM 0 HG LEU A 9 1.486 -6.924 -5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.132 -8.972 -5.229 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.869 -9.306 -5.421 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.061 -9.657 -3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.634 -7.036 -3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.245 -7.593 -2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.548 -5.966 -3.084 1.00 0.00 H new ATOM 50 N THR A 10 5.304 -5.543 -3.171 1.00 0.00 N ATOM 51 CA THR A 10 6.720 -5.339 -2.916 1.00 0.00 C ATOM 52 C THR A 10 6.931 -4.743 -1.523 1.00 0.00 C ATOM 53 O THR A 10 7.312 -5.450 -0.592 1.00 0.00 O ATOM 54 CB THR A 10 7.283 -4.469 -4.041 1.00 0.00 C ATOM 55 OG1 THR A 10 7.381 -5.356 -5.152 1.00 0.00 O ATOM 56 CG2 THR A 10 8.727 -4.037 -3.781 1.00 0.00 C ATOM 0 H THR A 10 4.979 -5.198 -4.074 1.00 0.00 H new ATOM 0 HA THR A 10 7.262 -6.285 -2.916 1.00 0.00 H new ATOM 0 HB THR A 10 6.656 -3.586 -4.163 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.737 -4.872 -5.927 1.00 0.00 H new ATOM 0 HG21 THR A 10 9.078 -3.422 -4.610 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.774 -3.461 -2.857 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.360 -4.920 -3.691 1.00 0.00 H new ATOM 64 N GLN A 11 6.673 -3.447 -1.424 1.00 0.00 N ATOM 65 CA GLN A 11 6.830 -2.747 -0.160 1.00 0.00 C ATOM 66 C GLN A 11 5.951 -3.390 0.915 1.00 0.00 C ATOM 67 O GLN A 11 6.304 -3.387 2.093 1.00 0.00 O ATOM 68 CB GLN A 11 6.508 -1.259 -0.314 1.00 0.00 C ATOM 69 CG GLN A 11 7.764 -0.405 -0.129 1.00 0.00 C ATOM 70 CD GLN A 11 7.988 -0.073 1.348 1.00 0.00 C ATOM 71 OE1 GLN A 11 7.060 0.105 2.119 1.00 0.00 O ATOM 72 NE2 GLN A 11 9.270 -0.001 1.697 1.00 0.00 N ATOM 0 H GLN A 11 6.356 -2.863 -2.198 1.00 0.00 H new ATOM 0 HA GLN A 11 7.871 -2.829 0.152 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.081 -1.076 -1.300 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.755 -0.968 0.418 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.631 -0.937 -0.522 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.669 0.517 -0.702 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.998 -0.161 1.001 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.525 0.214 2.661 1.00 0.00 H new ATOM 81 N LEU A 12 4.824 -3.925 0.470 1.00 0.00 N ATOM 82 CA LEU A 12 3.892 -4.570 1.380 1.00 0.00 C ATOM 83 C LEU A 12 4.594 -5.737 2.079 1.00 0.00 C ATOM 84 O LEU A 12 4.100 -6.252 3.080 1.00 0.00 O ATOM 85 CB LEU A 12 2.615 -4.974 0.640 1.00 0.00 C ATOM 86 CG LEU A 12 1.301 -4.706 1.376 1.00 0.00 C ATOM 87 CD1 LEU A 12 1.087 -5.718 2.503 1.00 0.00 C ATOM 88 CD2 LEU A 12 1.241 -3.263 1.882 1.00 0.00 C ATOM 0 H LEU A 12 4.535 -3.925 -0.508 1.00 0.00 H new ATOM 0 HA LEU A 12 3.576 -3.876 2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.589 -4.446 -0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.671 -6.039 0.414 1.00 0.00 H new ATOM 0 HG LEU A 12 0.481 -4.834 0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.146 -5.505 3.010 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.055 -6.725 2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.908 -5.647 3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.297 -3.099 2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.069 -3.083 2.568 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.314 -2.578 1.037 1.00 0.00 H new ATOM 100 N SER A 13 5.734 -6.119 1.523 1.00 0.00 N ATOM 101 CA SER A 13 6.508 -7.215 2.080 1.00 0.00 C ATOM 102 C SER A 13 7.999 -6.982 1.832 1.00 0.00 C ATOM 103 O SER A 13 8.783 -7.929 1.802 1.00 0.00 O ATOM 104 CB SER A 13 6.074 -8.555 1.484 1.00 0.00 C ATOM 105 OG SER A 13 5.445 -9.391 2.451 1.00 0.00 O ATOM 0 H SER A 13 6.140 -5.689 0.692 1.00 0.00 H new ATOM 0 HA SER A 13 6.326 -7.250 3.154 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.387 -8.378 0.656 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.944 -9.067 1.073 1.00 0.00 H new ATOM 0 HG SER A 13 5.482 -10.323 2.151 1.00 0.00 H new ATOM 111 N SER A 14 8.347 -5.715 1.659 1.00 0.00 N ATOM 112 CA SER A 14 9.731 -5.345 1.414 1.00 0.00 C ATOM 113 C SER A 14 10.296 -6.170 0.256 1.00 0.00 C ATOM 114 O SER A 14 11.511 -6.303 0.119 1.00 0.00 O ATOM 115 CB SER A 14 10.583 -5.539 2.670 1.00 0.00 C ATOM 116 OG SER A 14 11.102 -4.305 3.159 1.00 0.00 O ATOM 0 H SER A 14 7.694 -4.932 1.684 1.00 0.00 H new ATOM 0 HA SER A 14 9.761 -4.289 1.147 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.982 -6.012 3.446 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.408 -6.216 2.448 1.00 0.00 H new ATOM 0 HG SER A 14 11.639 -4.471 3.962 1.00 0.00 H new ATOM 122 N GLY A 15 9.387 -6.703 -0.547 1.00 0.00 N ATOM 123 CA GLY A 15 9.779 -7.512 -1.689 1.00 0.00 C ATOM 124 C GLY A 15 9.746 -9.002 -1.343 1.00 0.00 C ATOM 125 O GLY A 15 10.723 -9.716 -1.563 1.00 0.00 O ATOM 0 H GLY A 15 8.380 -6.591 -0.430 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.109 -7.315 -2.526 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.782 -7.232 -2.010 1.00 0.00 H new ATOM 129 N ASN A 16 8.611 -9.427 -0.807 1.00 0.00 N ATOM 130 CA ASN A 16 8.437 -10.819 -0.428 1.00 0.00 C ATOM 131 C ASN A 16 7.133 -11.347 -1.030 1.00 0.00 C ATOM 132 O ASN A 16 6.050 -11.065 -0.520 1.00 0.00 O ATOM 133 CB ASN A 16 8.351 -10.970 1.092 1.00 0.00 C ATOM 134 CG ASN A 16 9.042 -12.254 1.555 1.00 0.00 C ATOM 135 OD1 ASN A 16 9.501 -13.062 0.765 1.00 0.00 O ATOM 136 ND2 ASN A 16 9.089 -12.396 2.877 1.00 0.00 N ATOM 0 H ASN A 16 7.803 -8.832 -0.626 1.00 0.00 H new ATOM 0 HA ASN A 16 9.296 -11.379 -0.798 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.815 -10.109 1.573 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.306 -10.983 1.401 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.529 -13.220 3.286 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.685 -11.681 3.481 1.00 0.00 H new ATOM 143 N PRO A 17 7.285 -12.125 -2.136 1.00 0.00 N ATOM 144 CA PRO A 17 6.133 -12.696 -2.813 1.00 0.00 C ATOM 145 C PRO A 17 5.559 -13.873 -2.021 1.00 0.00 C ATOM 146 O PRO A 17 4.452 -14.332 -2.299 1.00 0.00 O ATOM 147 CB PRO A 17 6.643 -13.097 -4.187 1.00 0.00 C ATOM 148 CG PRO A 17 8.157 -13.165 -4.066 1.00 0.00 C ATOM 149 CD PRO A 17 8.552 -12.481 -2.768 1.00 0.00 C ATOM 0 HA PRO A 17 5.305 -11.993 -2.900 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.232 -14.060 -4.491 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.344 -12.370 -4.942 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.494 -14.202 -4.069 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.630 -12.673 -4.916 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.138 -13.145 -2.133 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.163 -11.598 -2.956 1.00 0.00 H new ATOM 157 N VAL A 18 6.337 -14.326 -1.049 1.00 0.00 N ATOM 158 CA VAL A 18 5.920 -15.441 -0.215 1.00 0.00 C ATOM 159 C VAL A 18 4.447 -15.268 0.160 1.00 0.00 C ATOM 160 O VAL A 18 3.738 -16.250 0.374 1.00 0.00 O ATOM 161 CB VAL A 18 6.838 -15.554 1.003 1.00 0.00 C ATOM 162 CG1 VAL A 18 6.613 -14.390 1.970 1.00 0.00 C ATOM 163 CG2 VAL A 18 6.648 -16.898 1.709 1.00 0.00 C ATOM 0 H VAL A 18 7.254 -13.941 -0.820 1.00 0.00 H new ATOM 0 HA VAL A 18 6.008 -16.381 -0.760 1.00 0.00 H new ATOM 0 HB VAL A 18 7.869 -15.502 0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.278 -14.495 2.827 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.822 -13.449 1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.578 -14.396 2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.312 -16.953 2.571 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.614 -16.992 2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.882 -17.708 1.018 1.00 0.00 H new ATOM 173 N TYR A 19 4.030 -14.012 0.229 1.00 0.00 N ATOM 174 CA TYR A 19 2.654 -13.698 0.575 1.00 0.00 C ATOM 175 C TYR A 19 1.693 -14.170 -0.518 1.00 0.00 C ATOM 176 O TYR A 19 0.665 -14.779 -0.224 1.00 0.00 O ATOM 177 CB TYR A 19 2.583 -12.173 0.677 1.00 0.00 C ATOM 178 CG TYR A 19 3.020 -11.619 2.034 1.00 0.00 C ATOM 179 CD1 TYR A 19 4.262 -11.939 2.543 1.00 0.00 C ATOM 180 CD2 TYR A 19 2.172 -10.798 2.749 1.00 0.00 C ATOM 181 CE1 TYR A 19 4.673 -11.417 3.820 1.00 0.00 C ATOM 182 CE2 TYR A 19 2.583 -10.276 4.027 1.00 0.00 C ATOM 183 CZ TYR A 19 3.813 -10.612 4.499 1.00 0.00 C ATOM 184 OH TYR A 19 4.201 -10.119 5.706 1.00 0.00 O ATOM 0 H TYR A 19 4.621 -13.200 0.051 1.00 0.00 H new ATOM 0 HA TYR A 19 2.369 -14.193 1.503 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.210 -11.738 -0.101 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.560 -11.853 0.478 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.926 -12.581 1.983 1.00 0.00 H new ATOM 0 HD2 TYR A 19 1.200 -10.547 2.350 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.643 -11.659 4.229 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.929 -9.633 4.597 1.00 0.00 H new ATOM 0 HH TYR A 19 5.175 -10.013 5.718 1.00 0.00 H new ATOM 194 N GLU A 20 2.061 -13.872 -1.755 1.00 0.00 N ATOM 195 CA GLU A 20 1.244 -14.258 -2.893 1.00 0.00 C ATOM 196 C GLU A 20 0.878 -15.741 -2.804 1.00 0.00 C ATOM 197 O GLU A 20 -0.197 -16.147 -3.244 1.00 0.00 O ATOM 198 CB GLU A 20 1.957 -13.947 -4.210 1.00 0.00 C ATOM 199 CG GLU A 20 1.188 -12.896 -5.014 1.00 0.00 C ATOM 200 CD GLU A 20 0.479 -13.532 -6.211 1.00 0.00 C ATOM 201 OE1 GLU A 20 -0.739 -13.761 -6.160 1.00 0.00 O ATOM 202 OE2 GLU A 20 1.238 -13.789 -7.222 1.00 0.00 O ATOM 0 H GLU A 20 2.914 -13.367 -1.995 1.00 0.00 H new ATOM 0 HA GLU A 20 0.324 -13.675 -2.870 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.966 -13.588 -4.006 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.057 -14.859 -4.798 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.456 -12.406 -4.372 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.875 -12.124 -5.362 1.00 0.00 H new ATOM 210 N LYS A 21 1.794 -16.511 -2.233 1.00 0.00 N ATOM 211 CA LYS A 21 1.581 -17.940 -2.081 1.00 0.00 C ATOM 212 C LYS A 21 0.318 -18.178 -1.250 1.00 0.00 C ATOM 213 O LYS A 21 -0.515 -19.011 -1.605 1.00 0.00 O ATOM 214 CB LYS A 21 2.831 -18.610 -1.507 1.00 0.00 C ATOM 215 CG LYS A 21 3.994 -18.542 -2.498 1.00 0.00 C ATOM 216 CD LYS A 21 4.308 -19.926 -3.070 1.00 0.00 C ATOM 217 CE LYS A 21 5.648 -20.446 -2.543 1.00 0.00 C ATOM 218 NZ LYS A 21 5.661 -21.926 -2.530 1.00 0.00 N ATOM 0 H LYS A 21 2.685 -16.172 -1.870 1.00 0.00 H new ATOM 0 HA LYS A 21 1.416 -18.406 -3.052 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.114 -18.121 -0.575 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.613 -19.651 -1.268 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.746 -17.857 -3.309 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.877 -18.141 -2.001 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.513 -20.623 -2.803 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.336 -19.876 -4.158 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.460 -20.075 -3.168 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.822 -20.066 -1.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.577 -22.262 -2.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.898 -22.274 -1.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.517 -22.283 -3.496 1.00 0.00 H new ATOM 229 N TYR A 22 0.216 -17.432 -0.160 1.00 0.00 N ATOM 230 CA TYR A 22 -0.930 -17.551 0.724 1.00 0.00 C ATOM 231 C TYR A 22 -2.175 -16.921 0.095 1.00 0.00 C ATOM 232 O TYR A 22 -3.249 -17.522 0.099 1.00 0.00 O ATOM 233 CB TYR A 22 -0.567 -16.777 1.992 1.00 0.00 C ATOM 234 CG TYR A 22 0.676 -17.307 2.710 1.00 0.00 C ATOM 235 CD1 TYR A 22 1.124 -18.588 2.459 1.00 0.00 C ATOM 236 CD2 TYR A 22 1.349 -16.504 3.608 1.00 0.00 C ATOM 237 CE1 TYR A 22 2.294 -19.087 3.135 1.00 0.00 C ATOM 238 CE2 TYR A 22 2.519 -17.003 4.284 1.00 0.00 C ATOM 239 CZ TYR A 22 2.934 -18.269 4.014 1.00 0.00 C ATOM 240 OH TYR A 22 4.038 -18.740 4.652 1.00 0.00 O ATOM 0 H TYR A 22 0.909 -16.742 0.131 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.153 -18.599 0.924 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.406 -15.731 1.733 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.412 -16.809 2.679 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.597 -19.216 1.756 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.999 -15.501 3.804 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.655 -20.088 2.948 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.055 -16.385 4.990 1.00 0.00 H new ATOM 0 HH TYR A 22 4.645 -17.996 4.848 1.00 0.00 H new ATOM 250 N TYR A 23 -1.990 -15.719 -0.430 1.00 0.00 N ATOM 251 CA TYR A 23 -3.084 -15.001 -1.061 1.00 0.00 C ATOM 252 C TYR A 23 -3.746 -15.854 -2.146 1.00 0.00 C ATOM 253 O TYR A 23 -4.907 -15.637 -2.488 1.00 0.00 O ATOM 254 CB TYR A 23 -2.459 -13.765 -1.711 1.00 0.00 C ATOM 255 CG TYR A 23 -3.209 -13.265 -2.947 1.00 0.00 C ATOM 256 CD1 TYR A 23 -4.320 -12.459 -2.801 1.00 0.00 C ATOM 257 CD2 TYR A 23 -2.775 -13.620 -4.208 1.00 0.00 C ATOM 258 CE1 TYR A 23 -5.026 -11.989 -3.964 1.00 0.00 C ATOM 259 CE2 TYR A 23 -3.482 -13.150 -5.371 1.00 0.00 C ATOM 260 CZ TYR A 23 -4.572 -12.357 -5.192 1.00 0.00 C ATOM 261 OH TYR A 23 -5.239 -11.913 -6.291 1.00 0.00 O ATOM 0 H TYR A 23 -1.098 -15.224 -0.431 1.00 0.00 H new ATOM 0 HA TYR A 23 -3.849 -14.745 -0.327 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -2.417 -12.962 -0.975 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.431 -13.995 -1.991 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -4.660 -12.181 -1.814 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.905 -14.250 -4.322 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -5.897 -11.358 -3.864 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.154 -13.421 -6.364 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.802 -12.254 -7.099 1.00 0.00 H new ATOM 271 N ARG A 24 -2.978 -16.805 -2.656 1.00 0.00 N ATOM 272 CA ARG A 24 -3.475 -17.691 -3.695 1.00 0.00 C ATOM 273 C ARG A 24 -4.053 -18.965 -3.075 1.00 0.00 C ATOM 274 O ARG A 24 -4.871 -19.644 -3.693 1.00 0.00 O ATOM 275 CB ARG A 24 -2.363 -18.068 -4.676 1.00 0.00 C ATOM 276 CG ARG A 24 -2.937 -18.392 -6.057 1.00 0.00 C ATOM 277 CD ARG A 24 -3.456 -19.830 -6.112 1.00 0.00 C ATOM 278 NE ARG A 24 -2.721 -20.594 -7.145 1.00 0.00 N ATOM 279 CZ ARG A 24 -3.102 -21.805 -7.604 1.00 0.00 C ATOM 280 NH1 ARG A 24 -4.214 -22.401 -7.124 1.00 0.00 N ATOM 281 NH2 ARG A 24 -2.370 -22.398 -8.529 1.00 0.00 N ATOM 0 H ARG A 24 -2.015 -16.982 -2.369 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.257 -17.160 -4.237 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.651 -17.247 -4.758 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.814 -18.929 -4.295 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.747 -17.700 -6.289 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.168 -18.250 -6.817 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.334 -20.307 -5.140 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.523 -19.832 -6.336 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.874 -20.180 -7.534 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.774 -21.936 -6.409 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.495 -23.316 -7.476 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.531 -21.941 -8.886 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.644 -23.313 -8.887 1.00 0.00 H new ATOM 294 N GLN A 25 -3.604 -19.250 -1.861 1.00 0.00 N ATOM 295 CA GLN A 25 -4.065 -20.430 -1.151 1.00 0.00 C ATOM 296 C GLN A 25 -5.572 -20.343 -0.900 1.00 0.00 C ATOM 297 O GLN A 25 -6.273 -21.352 -0.954 1.00 0.00 O ATOM 298 CB GLN A 25 -3.301 -20.614 0.161 1.00 0.00 C ATOM 299 CG GLN A 25 -2.005 -21.396 -0.064 1.00 0.00 C ATOM 300 CD GLN A 25 -1.769 -22.402 1.064 1.00 0.00 C ATOM 301 OE1 GLN A 25 -1.392 -23.542 0.846 1.00 0.00 O ATOM 302 NE2 GLN A 25 -2.011 -21.919 2.280 1.00 0.00 N ATOM 0 H GLN A 25 -2.926 -18.684 -1.352 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.869 -21.304 -1.773 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.072 -19.640 0.592 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.928 -21.141 0.880 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.053 -21.920 -1.019 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.164 -20.705 -0.121 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.325 -20.955 2.393 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.883 -22.513 3.099 1.00 0.00 H new ATOM 311 N VAL A 26 -6.026 -19.128 -0.631 1.00 0.00 N ATOM 312 CA VAL A 26 -7.437 -18.896 -0.372 1.00 0.00 C ATOM 313 C VAL A 26 -8.207 -18.938 -1.693 1.00 0.00 C ATOM 314 O VAL A 26 -9.356 -19.375 -1.732 1.00 0.00 O ATOM 315 CB VAL A 26 -7.620 -17.579 0.385 1.00 0.00 C ATOM 316 CG1 VAL A 26 -6.430 -17.307 1.308 1.00 0.00 C ATOM 317 CG2 VAL A 26 -7.839 -16.415 -0.584 1.00 0.00 C ATOM 0 H VAL A 26 -5.442 -18.293 -0.587 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.843 -19.681 0.266 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.511 -17.671 1.005 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.585 -16.365 1.834 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.339 -18.116 2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.517 -17.245 0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.966 -15.491 -0.020 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.975 -16.322 -1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.732 -16.602 -1.181 1.00 0.00 H new ATOM 327 N GLU A 27 -7.544 -18.477 -2.743 1.00 0.00 N ATOM 328 CA GLU A 27 -8.152 -18.456 -4.063 1.00 0.00 C ATOM 329 C GLU A 27 -8.996 -19.714 -4.278 1.00 0.00 C ATOM 330 O GLU A 27 -8.675 -20.778 -3.751 1.00 0.00 O ATOM 331 CB GLU A 27 -7.089 -18.316 -5.154 1.00 0.00 C ATOM 332 CG GLU A 27 -7.736 -18.120 -6.527 1.00 0.00 C ATOM 333 CD GLU A 27 -7.576 -19.372 -7.392 1.00 0.00 C ATOM 334 OE1 GLU A 27 -7.514 -20.490 -6.859 1.00 0.00 O ATOM 335 OE2 GLU A 27 -7.517 -19.154 -8.662 1.00 0.00 O ATOM 0 H GLU A 27 -6.591 -18.115 -2.707 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.807 -17.587 -4.126 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.441 -17.469 -4.929 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.458 -19.205 -5.169 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.795 -17.891 -6.405 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.281 -17.266 -7.029 1.00 0.00 H new ATOM 343 N ALA A 28 -10.058 -19.550 -5.053 1.00 0.00 N ATOM 344 CA ALA A 28 -10.950 -20.660 -5.345 1.00 0.00 C ATOM 345 C ALA A 28 -11.054 -20.840 -6.860 1.00 0.00 C ATOM 346 O ALA A 28 -11.319 -19.883 -7.586 1.00 0.00 O ATOM 347 CB ALA A 28 -12.311 -20.405 -4.693 1.00 0.00 C ATOM 0 H ALA A 28 -10.321 -18.666 -5.488 1.00 0.00 H new ATOM 0 HA ALA A 28 -10.558 -21.588 -4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -12.981 -21.237 -4.911 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.186 -20.313 -3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.737 -19.483 -5.089 1.00 0.00 H new ATOM 353 N GLY A 29 -10.841 -22.074 -7.293 1.00 0.00 N ATOM 354 CA GLY A 29 -10.907 -22.392 -8.709 1.00 0.00 C ATOM 355 C GLY A 29 -9.609 -22.005 -9.420 1.00 0.00 C ATOM 356 O GLY A 29 -8.626 -21.645 -8.773 1.00 0.00 O ATOM 0 H GLY A 29 -10.623 -22.866 -6.688 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.092 -23.459 -8.837 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.746 -21.866 -9.165 1.00 0.00 H new ATOM 360 N ASN A 30 -9.647 -22.092 -10.742 1.00 0.00 N ATOM 361 CA ASN A 30 -8.485 -21.755 -11.547 1.00 0.00 C ATOM 362 C ASN A 30 -8.715 -20.402 -12.224 1.00 0.00 C ATOM 363 O ASN A 30 -8.333 -20.208 -13.377 1.00 0.00 O ATOM 364 CB ASN A 30 -8.253 -22.798 -12.642 1.00 0.00 C ATOM 365 CG ASN A 30 -7.445 -23.982 -12.109 1.00 0.00 C ATOM 366 OD1 ASN A 30 -7.883 -24.729 -11.249 1.00 0.00 O ATOM 367 ND2 ASN A 30 -6.243 -24.111 -12.665 1.00 0.00 N ATOM 0 H ASN A 30 -10.464 -22.391 -11.275 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.616 -21.723 -10.889 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.212 -23.150 -13.023 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.726 -22.341 -13.479 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.626 -24.870 -12.376 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.938 -23.450 -13.380 1.00 0.00 H new ATOM 374 N THR A 31 -9.337 -19.501 -11.478 1.00 0.00 N ATOM 375 CA THR A 31 -9.622 -18.172 -11.992 1.00 0.00 C ATOM 376 C THR A 31 -8.474 -17.215 -11.661 1.00 0.00 C ATOM 377 O THR A 31 -8.305 -16.191 -12.322 1.00 0.00 O ATOM 378 CB THR A 31 -10.969 -17.723 -11.423 1.00 0.00 C ATOM 379 OG1 THR A 31 -11.126 -16.393 -11.908 1.00 0.00 O ATOM 380 CG2 THR A 31 -10.938 -17.563 -9.901 1.00 0.00 C ATOM 0 H THR A 31 -9.652 -19.665 -10.522 1.00 0.00 H new ATOM 0 HA THR A 31 -9.698 -18.177 -13.079 1.00 0.00 H new ATOM 0 HB THR A 31 -11.737 -18.446 -11.697 1.00 0.00 H new ATOM 0 HG1 THR A 31 -11.976 -16.026 -11.587 1.00 0.00 H new ATOM 0 HG21 THR A 31 -11.919 -17.243 -9.549 1.00 0.00 H new ATOM 0 HG22 THR A 31 -10.680 -18.517 -9.440 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.193 -16.815 -9.629 1.00 0.00 H new ATOM 388 N GLY A 32 -7.715 -17.583 -10.639 1.00 0.00 N ATOM 389 CA GLY A 32 -6.589 -16.771 -10.213 1.00 0.00 C ATOM 390 C GLY A 32 -7.054 -15.599 -9.346 1.00 0.00 C ATOM 391 O GLY A 32 -6.239 -14.808 -8.875 1.00 0.00 O ATOM 0 H GLY A 32 -7.858 -18.433 -10.094 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.885 -17.385 -9.652 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.058 -16.393 -11.086 1.00 0.00 H new ATOM 395 N ARG A 33 -8.364 -15.525 -9.161 1.00 0.00 N ATOM 396 CA ARG A 33 -8.948 -14.463 -8.359 1.00 0.00 C ATOM 397 C ARG A 33 -9.460 -15.023 -7.031 1.00 0.00 C ATOM 398 O ARG A 33 -9.982 -16.136 -6.981 1.00 0.00 O ATOM 399 CB ARG A 33 -10.104 -13.786 -9.099 1.00 0.00 C ATOM 400 CG ARG A 33 -9.584 -12.736 -10.083 1.00 0.00 C ATOM 401 CD ARG A 33 -10.728 -12.148 -10.912 1.00 0.00 C ATOM 402 NE ARG A 33 -10.769 -10.678 -10.748 1.00 0.00 N ATOM 403 CZ ARG A 33 -11.584 -9.861 -11.448 1.00 0.00 C ATOM 404 NH1 ARG A 33 -12.435 -10.365 -12.367 1.00 0.00 N ATOM 405 NH2 ARG A 33 -11.537 -8.561 -11.221 1.00 0.00 N ATOM 0 H ARG A 33 -9.038 -16.183 -9.553 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.170 -13.723 -8.170 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.686 -14.536 -9.635 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.775 -13.316 -8.380 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.079 -11.939 -9.537 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.845 -13.187 -10.745 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.593 -12.401 -11.964 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.677 -12.584 -10.598 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.142 -10.256 -10.063 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.465 -11.370 -12.537 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.047 -9.740 -12.892 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.891 -8.188 -10.525 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.146 -7.930 -11.742 1.00 0.00 H new ATOM 418 N VAL A 34 -9.294 -14.225 -5.986 1.00 0.00 N ATOM 419 CA VAL A 34 -9.733 -14.627 -4.660 1.00 0.00 C ATOM 420 C VAL A 34 -11.227 -14.335 -4.513 1.00 0.00 C ATOM 421 O VAL A 34 -11.644 -13.178 -4.546 1.00 0.00 O ATOM 422 CB VAL A 34 -8.880 -13.934 -3.595 1.00 0.00 C ATOM 423 CG1 VAL A 34 -9.374 -14.279 -2.188 1.00 0.00 C ATOM 424 CG2 VAL A 34 -7.401 -14.290 -3.759 1.00 0.00 C ATOM 0 H VAL A 34 -8.862 -13.302 -6.031 1.00 0.00 H new ATOM 0 HA VAL A 34 -9.596 -15.699 -4.520 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.982 -12.858 -3.732 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.751 -13.774 -1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -10.408 -13.952 -2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.315 -15.357 -2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.818 -13.784 -2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.273 -15.368 -3.661 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.057 -13.972 -4.743 1.00 0.00 H new ATOM 434 N LEU A 35 -11.993 -15.404 -4.352 1.00 0.00 N ATOM 435 CA LEU A 35 -13.433 -15.278 -4.199 1.00 0.00 C ATOM 436 C LEU A 35 -13.738 -14.456 -2.945 1.00 0.00 C ATOM 437 O LEU A 35 -14.872 -14.027 -2.741 1.00 0.00 O ATOM 438 CB LEU A 35 -14.096 -16.656 -4.207 1.00 0.00 C ATOM 439 CG LEU A 35 -14.944 -16.986 -5.438 1.00 0.00 C ATOM 440 CD1 LEU A 35 -15.306 -18.472 -5.472 1.00 0.00 C ATOM 441 CD2 LEU A 35 -16.183 -16.092 -5.504 1.00 0.00 C ATOM 0 H LEU A 35 -11.644 -16.362 -4.324 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.860 -14.740 -5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -13.317 -17.413 -4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -14.728 -16.738 -3.323 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.350 -16.780 -6.328 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.908 -18.680 -6.356 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.394 -19.068 -5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -15.874 -18.729 -4.578 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -16.769 -16.346 -6.387 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -16.789 -16.244 -4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -15.876 -15.048 -5.561 1.00 0.00 H new ATOM 453 N ALA A 36 -12.705 -14.261 -2.139 1.00 0.00 N ATOM 454 CA ALA A 36 -12.848 -13.499 -0.910 1.00 0.00 C ATOM 455 C ALA A 36 -13.347 -14.422 0.203 1.00 0.00 C ATOM 456 O ALA A 36 -12.711 -14.537 1.250 1.00 0.00 O ATOM 457 CB ALA A 36 -13.788 -12.315 -1.150 1.00 0.00 C ATOM 0 H ALA A 36 -11.765 -14.617 -2.313 1.00 0.00 H new ATOM 0 HA ALA A 36 -11.886 -13.094 -0.596 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -13.896 -11.743 -0.228 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.374 -11.674 -1.929 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -14.764 -12.684 -1.464 1.00 0.00 H new ATOM 463 N LEU A 37 -14.479 -15.056 -0.061 1.00 0.00 N ATOM 464 CA LEU A 37 -15.070 -15.966 0.906 1.00 0.00 C ATOM 465 C LEU A 37 -13.967 -16.815 1.542 1.00 0.00 C ATOM 466 O LEU A 37 -13.952 -17.010 2.756 1.00 0.00 O ATOM 467 CB LEU A 37 -16.183 -16.791 0.255 1.00 0.00 C ATOM 468 CG LEU A 37 -17.600 -16.230 0.390 1.00 0.00 C ATOM 469 CD1 LEU A 37 -17.864 -15.149 -0.660 1.00 0.00 C ATOM 470 CD2 LEU A 37 -18.640 -17.350 0.334 1.00 0.00 C ATOM 0 H LEU A 37 -15.003 -14.958 -0.930 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.548 -15.408 1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.956 -16.898 -0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -16.167 -17.791 0.687 1.00 0.00 H new ATOM 0 HG LEU A 37 -17.689 -15.757 1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -18.878 -14.767 -0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -17.152 -14.334 -0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -17.750 -15.575 -1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -19.639 -16.924 0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -18.561 -17.873 -0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -18.463 -18.052 1.149 1.00 0.00 H new ATOM 482 N ASP A 38 -13.072 -17.297 0.693 1.00 0.00 N ATOM 483 CA ASP A 38 -11.968 -18.120 1.156 1.00 0.00 C ATOM 484 C ASP A 38 -11.001 -17.257 1.970 1.00 0.00 C ATOM 485 O ASP A 38 -10.519 -17.680 3.020 1.00 0.00 O ATOM 486 CB ASP A 38 -11.193 -18.716 -0.020 1.00 0.00 C ATOM 487 CG ASP A 38 -11.099 -20.243 -0.025 1.00 0.00 C ATOM 488 OD1 ASP A 38 -12.083 -20.943 -0.307 1.00 0.00 O ATOM 489 OD2 ASP A 38 -9.940 -20.719 0.282 1.00 0.00 O ATOM 0 H ASP A 38 -13.089 -17.133 -0.314 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.381 -18.927 1.762 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.665 -18.393 -0.948 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -10.184 -18.305 -0.016 1.00 0.00 H new ATOM 495 N ALA A 39 -10.745 -16.064 1.454 1.00 0.00 N ATOM 496 CA ALA A 39 -9.844 -15.138 2.119 1.00 0.00 C ATOM 497 C ALA A 39 -10.242 -15.016 3.592 1.00 0.00 C ATOM 498 O ALA A 39 -9.384 -15.028 4.473 1.00 0.00 O ATOM 499 CB ALA A 39 -9.870 -13.791 1.395 1.00 0.00 C ATOM 0 H ALA A 39 -11.146 -15.717 0.583 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.819 -15.507 2.083 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.194 -13.097 1.894 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.552 -13.927 0.361 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.883 -13.388 1.413 1.00 0.00 H new ATOM 505 N ALA A 40 -11.543 -14.900 3.812 1.00 0.00 N ATOM 506 CA ALA A 40 -12.065 -14.775 5.163 1.00 0.00 C ATOM 507 C ALA A 40 -11.807 -16.075 5.927 1.00 0.00 C ATOM 508 O ALA A 40 -11.681 -16.066 7.150 1.00 0.00 O ATOM 509 CB ALA A 40 -13.552 -14.418 5.105 1.00 0.00 C ATOM 0 H ALA A 40 -12.251 -14.890 3.078 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.558 -13.972 5.698 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.943 -14.324 6.118 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -13.679 -13.472 4.578 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.094 -15.203 4.578 1.00 0.00 H new ATOM 515 N ALA A 41 -11.735 -17.163 5.173 1.00 0.00 N ATOM 516 CA ALA A 41 -11.494 -18.468 5.764 1.00 0.00 C ATOM 517 C ALA A 41 -10.049 -18.538 6.264 1.00 0.00 C ATOM 518 O ALA A 41 -9.801 -18.931 7.403 1.00 0.00 O ATOM 519 CB ALA A 41 -11.809 -19.559 4.739 1.00 0.00 C ATOM 0 H ALA A 41 -11.839 -17.167 4.158 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.148 -18.627 6.621 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.628 -20.538 5.183 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.854 -19.485 4.438 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.170 -19.433 3.865 1.00 0.00 H new ATOM 525 N PHE A 42 -9.134 -18.150 5.388 1.00 0.00 N ATOM 526 CA PHE A 42 -7.721 -18.163 5.726 1.00 0.00 C ATOM 527 C PHE A 42 -7.420 -17.184 6.863 1.00 0.00 C ATOM 528 O PHE A 42 -6.620 -17.483 7.749 1.00 0.00 O ATOM 529 CB PHE A 42 -6.958 -17.724 4.476 1.00 0.00 C ATOM 530 CG PHE A 42 -5.471 -17.456 4.716 1.00 0.00 C ATOM 531 CD1 PHE A 42 -4.604 -18.497 4.841 1.00 0.00 C ATOM 532 CD2 PHE A 42 -5.016 -16.178 4.806 1.00 0.00 C ATOM 533 CE1 PHE A 42 -3.224 -18.248 5.064 1.00 0.00 C ATOM 534 CE2 PHE A 42 -3.635 -15.929 5.029 1.00 0.00 C ATOM 535 CZ PHE A 42 -2.769 -16.970 5.154 1.00 0.00 C ATOM 0 H PHE A 42 -9.344 -17.825 4.444 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.426 -19.160 6.053 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.059 -18.495 3.712 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.420 -16.820 4.080 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.965 -19.512 4.771 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.705 -15.352 4.708 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.535 -19.074 5.162 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.273 -14.914 5.099 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.719 -16.781 5.325 1.00 0.00 H new ATOM 545 N LEU A 43 -8.077 -16.035 6.802 1.00 0.00 N ATOM 546 CA LEU A 43 -7.890 -15.011 7.815 1.00 0.00 C ATOM 547 C LEU A 43 -8.184 -15.604 9.194 1.00 0.00 C ATOM 548 O LEU A 43 -7.404 -15.428 10.129 1.00 0.00 O ATOM 549 CB LEU A 43 -8.727 -13.773 7.486 1.00 0.00 C ATOM 550 CG LEU A 43 -8.241 -12.929 6.306 1.00 0.00 C ATOM 551 CD1 LEU A 43 -9.323 -11.948 5.852 1.00 0.00 C ATOM 552 CD2 LEU A 43 -6.929 -12.218 6.644 1.00 0.00 C ATOM 0 H LEU A 43 -8.740 -15.791 6.066 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.854 -14.672 7.828 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.749 -14.093 7.282 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.763 -13.138 8.371 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.039 -13.597 5.469 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.952 -11.360 5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.210 -12.502 5.544 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.579 -11.282 6.676 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.606 -11.625 5.788 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.080 -11.564 7.503 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.165 -12.958 6.882 1.00 0.00 H new ATOM 564 N LYS A 44 -9.312 -16.295 9.277 1.00 0.00 N ATOM 565 CA LYS A 44 -9.719 -16.915 10.527 1.00 0.00 C ATOM 566 C LYS A 44 -8.528 -17.659 11.134 1.00 0.00 C ATOM 567 O LYS A 44 -8.478 -17.877 12.343 1.00 0.00 O ATOM 568 CB LYS A 44 -10.950 -17.798 10.311 1.00 0.00 C ATOM 569 CG LYS A 44 -12.222 -16.952 10.227 1.00 0.00 C ATOM 570 CD LYS A 44 -13.115 -17.183 11.447 1.00 0.00 C ATOM 571 CE LYS A 44 -14.592 -17.215 11.048 1.00 0.00 C ATOM 572 NZ LYS A 44 -15.449 -17.381 12.244 1.00 0.00 N ATOM 0 H LYS A 44 -9.956 -16.439 8.500 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.022 -16.156 11.248 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.832 -18.376 9.394 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.038 -18.513 11.129 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.957 -15.897 10.160 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.770 -17.202 9.318 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.844 -18.123 11.928 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.949 -16.392 12.178 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.855 -16.293 10.530 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.769 -18.034 10.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.447 -17.418 11.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.197 -18.265 12.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.305 -16.577 12.888 1.00 0.00 H new ATOM 583 N LYS A 45 -7.597 -18.029 10.266 1.00 0.00 N ATOM 584 CA LYS A 45 -6.409 -18.744 10.701 1.00 0.00 C ATOM 585 C LYS A 45 -5.393 -17.744 11.257 1.00 0.00 C ATOM 586 O LYS A 45 -4.191 -18.007 11.251 1.00 0.00 O ATOM 587 CB LYS A 45 -5.861 -19.612 9.567 1.00 0.00 C ATOM 588 CG LYS A 45 -6.991 -20.348 8.845 1.00 0.00 C ATOM 589 CD LYS A 45 -6.453 -21.552 8.068 1.00 0.00 C ATOM 590 CE LYS A 45 -7.593 -22.335 7.413 1.00 0.00 C ATOM 591 NZ LYS A 45 -7.864 -23.581 8.164 1.00 0.00 N ATOM 0 H LYS A 45 -7.642 -17.847 9.263 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.653 -19.434 11.509 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.317 -18.989 8.858 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.150 -20.334 9.968 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.734 -20.681 9.570 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.496 -19.665 8.161 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.754 -21.213 7.304 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.898 -22.205 8.741 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.492 -21.720 7.380 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.332 -22.574 6.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.640 -24.100 7.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.009 -24.173 8.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.133 -23.346 9.141 1.00 0.00 H new ATOM 602 N SER A 46 -5.912 -16.619 11.725 1.00 0.00 N ATOM 603 CA SER A 46 -5.065 -15.579 12.283 1.00 0.00 C ATOM 604 C SER A 46 -5.009 -15.712 13.807 1.00 0.00 C ATOM 605 O SER A 46 -3.983 -16.102 14.362 1.00 0.00 O ATOM 606 CB SER A 46 -5.568 -14.189 11.890 1.00 0.00 C ATOM 607 OG SER A 46 -6.753 -13.830 12.595 1.00 0.00 O ATOM 0 H SER A 46 -6.909 -16.405 11.729 1.00 0.00 H new ATOM 0 HA SER A 46 -4.061 -15.701 11.876 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.790 -13.452 12.090 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.763 -14.164 10.818 1.00 0.00 H new ATOM 0 HG SER A 46 -7.536 -14.169 12.113 1.00 0.00 H new ATOM 613 N GLY A 47 -6.124 -15.380 14.439 1.00 0.00 N ATOM 614 CA GLY A 47 -6.215 -15.457 15.887 1.00 0.00 C ATOM 615 C GLY A 47 -7.169 -14.394 16.435 1.00 0.00 C ATOM 616 O GLY A 47 -7.713 -14.546 17.527 1.00 0.00 O ATOM 0 H GLY A 47 -6.973 -15.057 13.975 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.562 -16.448 16.181 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.226 -15.323 16.325 1.00 0.00 H new ATOM 620 N LEU A 48 -7.342 -13.340 15.650 1.00 0.00 N ATOM 621 CA LEU A 48 -8.221 -12.251 16.043 1.00 0.00 C ATOM 622 C LEU A 48 -9.676 -12.710 15.929 1.00 0.00 C ATOM 623 O LEU A 48 -9.971 -13.685 15.241 1.00 0.00 O ATOM 624 CB LEU A 48 -7.908 -10.992 15.232 1.00 0.00 C ATOM 625 CG LEU A 48 -6.683 -10.193 15.680 1.00 0.00 C ATOM 626 CD1 LEU A 48 -6.099 -9.387 14.518 1.00 0.00 C ATOM 627 CD2 LEU A 48 -7.015 -9.307 16.883 1.00 0.00 C ATOM 0 H LEU A 48 -6.889 -13.217 14.745 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.052 -11.981 17.086 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.768 -11.280 14.190 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.778 -10.336 15.267 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.915 -10.897 16.001 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.229 -8.828 14.864 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.800 -10.065 13.719 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.851 -8.693 14.143 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.127 -8.750 17.181 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.807 -8.609 16.613 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.348 -9.930 17.713 1.00 0.00 H new ATOM 639 N PRO A 49 -10.570 -11.966 16.634 1.00 0.00 N ATOM 640 CA PRO A 49 -11.987 -12.286 16.619 1.00 0.00 C ATOM 641 C PRO A 49 -12.630 -11.868 15.295 1.00 0.00 C ATOM 642 O PRO A 49 -11.980 -11.250 14.453 1.00 0.00 O ATOM 643 CB PRO A 49 -12.568 -11.556 17.819 1.00 0.00 C ATOM 644 CG PRO A 49 -11.553 -10.486 18.187 1.00 0.00 C ATOM 645 CD PRO A 49 -10.256 -10.804 17.461 1.00 0.00 C ATOM 0 HA PRO A 49 -12.177 -13.357 16.691 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -13.533 -11.112 17.576 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -12.733 -12.241 18.651 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -11.918 -9.499 17.902 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.392 -10.467 19.265 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.926 -9.962 16.852 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.452 -11.024 18.164 1.00 0.00 H new ATOM 653 N ASP A 50 -13.899 -12.221 15.153 1.00 0.00 N ATOM 654 CA ASP A 50 -14.637 -11.889 13.946 1.00 0.00 C ATOM 655 C ASP A 50 -14.998 -10.403 13.966 1.00 0.00 C ATOM 656 O ASP A 50 -15.047 -9.758 12.920 1.00 0.00 O ATOM 657 CB ASP A 50 -15.937 -12.691 13.858 1.00 0.00 C ATOM 658 CG ASP A 50 -15.773 -14.206 13.988 1.00 0.00 C ATOM 659 OD1 ASP A 50 -14.689 -14.755 13.739 1.00 0.00 O ATOM 660 OD2 ASP A 50 -16.831 -14.839 14.369 1.00 0.00 O ATOM 0 H ASP A 50 -14.435 -12.733 15.853 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.007 -12.128 13.089 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -16.613 -12.346 14.640 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -16.416 -12.473 12.904 1.00 0.00 H new ATOM 666 N LEU A 51 -15.243 -9.902 15.168 1.00 0.00 N ATOM 667 CA LEU A 51 -15.598 -8.504 15.338 1.00 0.00 C ATOM 668 C LEU A 51 -14.467 -7.625 14.800 1.00 0.00 C ATOM 669 O LEU A 51 -14.662 -6.870 13.849 1.00 0.00 O ATOM 670 CB LEU A 51 -15.959 -8.216 16.797 1.00 0.00 C ATOM 671 CG LEU A 51 -15.411 -6.912 17.379 1.00 0.00 C ATOM 672 CD1 LEU A 51 -15.969 -5.700 16.629 1.00 0.00 C ATOM 673 CD2 LEU A 51 -15.677 -6.828 18.883 1.00 0.00 C ATOM 0 H LEU A 51 -15.203 -10.440 16.034 1.00 0.00 H new ATOM 0 HA LEU A 51 -16.490 -8.265 14.759 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -17.045 -8.202 16.886 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -15.600 -9.043 17.409 1.00 0.00 H new ATOM 0 HG LEU A 51 -14.330 -6.905 17.243 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.564 -4.786 17.063 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -15.685 -5.760 15.578 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -17.056 -5.690 16.711 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -15.277 -5.891 19.271 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -16.751 -6.868 19.065 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -15.193 -7.665 19.385 1.00 0.00 H new ATOM 685 N ILE A 52 -13.309 -7.754 15.432 1.00 0.00 N ATOM 686 CA ILE A 52 -12.147 -6.981 15.028 1.00 0.00 C ATOM 687 C ILE A 52 -11.867 -7.226 13.544 1.00 0.00 C ATOM 688 O ILE A 52 -11.467 -6.311 12.825 1.00 0.00 O ATOM 689 CB ILE A 52 -10.956 -7.290 15.937 1.00 0.00 C ATOM 690 CG1 ILE A 52 -11.282 -6.967 17.397 1.00 0.00 C ATOM 691 CG2 ILE A 52 -9.697 -6.565 15.458 1.00 0.00 C ATOM 692 CD1 ILE A 52 -11.065 -5.482 17.692 1.00 0.00 C ATOM 0 H ILE A 52 -13.151 -8.382 16.220 1.00 0.00 H new ATOM 0 HA ILE A 52 -12.340 -5.915 15.145 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.753 -8.359 15.881 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -12.316 -7.236 17.610 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -10.654 -7.568 18.055 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.866 -6.802 16.122 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.455 -6.886 14.445 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.872 -5.489 15.465 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -11.304 -5.280 18.736 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.024 -5.221 17.501 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.712 -4.885 17.050 1.00 0.00 H new ATOM 704 N LEU A 53 -12.089 -8.464 13.129 1.00 0.00 N ATOM 705 CA LEU A 53 -11.866 -8.841 11.744 1.00 0.00 C ATOM 706 C LEU A 53 -12.787 -8.018 10.841 1.00 0.00 C ATOM 707 O LEU A 53 -12.327 -7.381 9.894 1.00 0.00 O ATOM 708 CB LEU A 53 -12.023 -10.353 11.567 1.00 0.00 C ATOM 709 CG LEU A 53 -10.760 -11.188 11.785 1.00 0.00 C ATOM 710 CD1 LEU A 53 -11.108 -12.660 12.013 1.00 0.00 C ATOM 711 CD2 LEU A 53 -9.775 -11.004 10.629 1.00 0.00 C ATOM 0 H LEU A 53 -12.421 -9.220 13.728 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.842 -8.614 11.448 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -12.789 -10.702 12.259 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -12.392 -10.545 10.559 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.266 -10.831 12.689 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.192 -13.231 12.165 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.743 -12.751 12.894 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.637 -13.048 11.142 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.886 -11.608 10.809 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.245 -11.318 9.697 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.491 -9.954 10.556 1.00 0.00 H new ATOM 723 N GLY A 54 -14.071 -8.057 11.167 1.00 0.00 N ATOM 724 CA GLY A 54 -15.060 -7.322 10.397 1.00 0.00 C ATOM 725 C GLY A 54 -14.519 -5.956 9.970 1.00 0.00 C ATOM 726 O GLY A 54 -14.689 -5.549 8.821 1.00 0.00 O ATOM 0 H GLY A 54 -14.449 -8.586 11.953 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -15.340 -7.898 9.515 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.964 -7.189 10.992 1.00 0.00 H new ATOM 730 N LYS A 55 -13.879 -5.286 10.916 1.00 0.00 N ATOM 731 CA LYS A 55 -13.311 -3.975 10.652 1.00 0.00 C ATOM 732 C LYS A 55 -12.265 -4.091 9.542 1.00 0.00 C ATOM 733 O LYS A 55 -12.262 -3.299 8.601 1.00 0.00 O ATOM 734 CB LYS A 55 -12.773 -3.354 11.942 1.00 0.00 C ATOM 735 CG LYS A 55 -13.905 -2.744 12.771 1.00 0.00 C ATOM 736 CD LYS A 55 -13.508 -1.370 13.315 1.00 0.00 C ATOM 737 CE LYS A 55 -14.615 -0.788 14.195 1.00 0.00 C ATOM 738 NZ LYS A 55 -14.974 0.575 13.743 1.00 0.00 N ATOM 0 H LYS A 55 -13.741 -5.627 11.867 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.081 -3.292 10.294 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.257 -4.115 12.528 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.039 -2.585 11.701 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.801 -2.651 12.157 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.153 -3.409 13.598 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.587 -1.456 13.892 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.303 -0.692 12.486 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -15.493 -1.433 14.159 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.284 -0.758 15.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.727 0.955 14.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.138 1.191 13.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -15.310 0.537 12.759 1.00 0.00 H new ATOM 749 N ILE A 56 -11.401 -5.085 9.688 1.00 0.00 N ATOM 750 CA ILE A 56 -10.352 -5.315 8.710 1.00 0.00 C ATOM 751 C ILE A 56 -10.974 -5.413 7.315 1.00 0.00 C ATOM 752 O ILE A 56 -10.597 -4.670 6.410 1.00 0.00 O ATOM 753 CB ILE A 56 -9.516 -6.537 9.098 1.00 0.00 C ATOM 754 CG1 ILE A 56 -8.650 -6.241 10.323 1.00 0.00 C ATOM 755 CG2 ILE A 56 -8.684 -7.030 7.912 1.00 0.00 C ATOM 756 CD1 ILE A 56 -7.664 -7.381 10.586 1.00 0.00 C ATOM 0 H ILE A 56 -11.406 -5.740 10.470 1.00 0.00 H new ATOM 0 HA ILE A 56 -9.657 -4.475 8.692 1.00 0.00 H new ATOM 0 HB ILE A 56 -10.195 -7.344 9.372 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -8.103 -5.311 10.170 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.286 -6.097 11.196 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.099 -7.899 8.214 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -9.347 -7.306 7.092 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -8.012 -6.237 7.584 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -7.060 -7.145 11.462 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.215 -8.305 10.763 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -7.013 -7.506 9.720 1.00 0.00 H new ATOM 768 N TRP A 57 -11.915 -6.336 7.185 1.00 0.00 N ATOM 769 CA TRP A 57 -12.593 -6.541 5.916 1.00 0.00 C ATOM 770 C TRP A 57 -13.193 -5.203 5.480 1.00 0.00 C ATOM 771 O TRP A 57 -12.903 -4.716 4.388 1.00 0.00 O ATOM 772 CB TRP A 57 -13.634 -7.657 6.025 1.00 0.00 C ATOM 773 CG TRP A 57 -14.097 -8.209 4.675 1.00 0.00 C ATOM 774 CD1 TRP A 57 -15.035 -7.710 3.857 1.00 0.00 C ATOM 775 CD2 TRP A 57 -13.603 -9.394 4.015 1.00 0.00 C ATOM 776 NE1 TRP A 57 -15.180 -8.484 2.724 1.00 0.00 N ATOM 777 CE2 TRP A 57 -14.282 -9.540 2.823 1.00 0.00 C ATOM 778 CE3 TRP A 57 -12.615 -10.311 4.413 1.00 0.00 C ATOM 779 CZ2 TRP A 57 -14.046 -10.592 1.931 1.00 0.00 C ATOM 780 CZ3 TRP A 57 -12.391 -11.358 3.511 1.00 0.00 C ATOM 781 CH2 TRP A 57 -13.066 -11.519 2.306 1.00 0.00 C ATOM 0 H TRP A 57 -12.224 -6.951 7.938 1.00 0.00 H new ATOM 0 HA TRP A 57 -11.890 -6.873 5.152 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -13.217 -8.473 6.616 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -14.500 -7.280 6.568 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -15.605 -6.815 4.059 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -15.828 -8.313 1.955 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -12.072 -10.215 5.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -14.591 -10.684 1.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -11.642 -12.092 3.769 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -12.835 -12.355 1.662 1.00 0.00 H new ATOM 792 N ASP A 58 -14.018 -4.647 6.355 1.00 0.00 N ATOM 793 CA ASP A 58 -14.661 -3.375 6.073 1.00 0.00 C ATOM 794 C ASP A 58 -13.632 -2.407 5.486 1.00 0.00 C ATOM 795 O ASP A 58 -13.902 -1.737 4.491 1.00 0.00 O ATOM 796 CB ASP A 58 -15.226 -2.749 7.349 1.00 0.00 C ATOM 797 CG ASP A 58 -16.560 -2.020 7.177 1.00 0.00 C ATOM 798 OD1 ASP A 58 -16.596 -0.812 6.898 1.00 0.00 O ATOM 799 OD2 ASP A 58 -17.608 -2.754 7.343 1.00 0.00 O ATOM 0 H ASP A 58 -14.256 -5.054 7.259 1.00 0.00 H new ATOM 0 HA ASP A 58 -15.474 -3.557 5.370 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.352 -3.533 8.095 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.494 -2.046 7.746 1.00 0.00 H new ATOM 805 N LEU A 59 -12.474 -2.365 6.128 1.00 0.00 N ATOM 806 CA LEU A 59 -11.403 -1.490 5.682 1.00 0.00 C ATOM 807 C LEU A 59 -10.792 -2.052 4.398 1.00 0.00 C ATOM 808 O LEU A 59 -10.327 -1.298 3.545 1.00 0.00 O ATOM 809 CB LEU A 59 -10.386 -1.274 6.804 1.00 0.00 C ATOM 810 CG LEU A 59 -9.114 -0.514 6.420 1.00 0.00 C ATOM 811 CD1 LEU A 59 -8.106 -1.442 5.740 1.00 0.00 C ATOM 812 CD2 LEU A 59 -9.444 0.706 5.557 1.00 0.00 C ATOM 0 H LEU A 59 -12.254 -2.923 6.953 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.794 -0.501 5.442 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -10.877 -0.734 7.614 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -10.098 -2.248 7.199 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.647 -0.145 7.333 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.211 -0.877 5.477 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.838 -2.250 6.421 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.549 -1.861 4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.523 1.228 5.298 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.946 0.382 4.645 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -10.098 1.378 6.112 1.00 0.00 H new ATOM 824 N ALA A 60 -10.812 -3.374 4.300 1.00 0.00 N ATOM 825 CA ALA A 60 -10.266 -4.046 3.133 1.00 0.00 C ATOM 826 C ALA A 60 -11.153 -3.757 1.921 1.00 0.00 C ATOM 827 O ALA A 60 -10.735 -3.068 0.992 1.00 0.00 O ATOM 828 CB ALA A 60 -10.140 -5.544 3.420 1.00 0.00 C ATOM 0 H ALA A 60 -11.198 -3.997 5.010 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.268 -3.672 2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.731 -6.049 2.545 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -9.476 -5.697 4.271 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.123 -5.955 3.649 1.00 0.00 H new ATOM 834 N ASP A 61 -12.362 -4.298 1.970 1.00 0.00 N ATOM 835 CA ASP A 61 -13.311 -4.107 0.887 1.00 0.00 C ATOM 836 C ASP A 61 -13.192 -2.677 0.356 1.00 0.00 C ATOM 837 O ASP A 61 -13.277 -1.718 1.121 1.00 0.00 O ATOM 838 CB ASP A 61 -14.748 -4.313 1.371 1.00 0.00 C ATOM 839 CG ASP A 61 -15.817 -4.226 0.281 1.00 0.00 C ATOM 840 OD1 ASP A 61 -16.379 -3.151 0.021 1.00 0.00 O ATOM 841 OD2 ASP A 61 -16.071 -5.337 -0.324 1.00 0.00 O ATOM 0 H ASP A 61 -12.706 -4.868 2.743 1.00 0.00 H new ATOM 0 HA ASP A 61 -13.084 -4.835 0.108 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -14.817 -5.290 1.850 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -14.968 -3.567 2.135 1.00 0.00 H new ATOM 847 N THR A 62 -12.996 -2.579 -0.951 1.00 0.00 N ATOM 848 CA THR A 62 -12.864 -1.283 -1.593 1.00 0.00 C ATOM 849 C THR A 62 -13.138 -1.400 -3.094 1.00 0.00 C ATOM 850 O THR A 62 -13.847 -0.574 -3.666 1.00 0.00 O ATOM 851 CB THR A 62 -11.472 -0.735 -1.271 1.00 0.00 C ATOM 852 OG1 THR A 62 -11.545 -0.393 0.111 1.00 0.00 O ATOM 853 CG2 THR A 62 -11.190 0.596 -1.970 1.00 0.00 C ATOM 0 H THR A 62 -12.925 -3.377 -1.583 1.00 0.00 H new ATOM 0 HA THR A 62 -13.603 -0.577 -1.214 1.00 0.00 H new ATOM 0 HB THR A 62 -10.718 -1.465 -1.564 1.00 0.00 H new ATOM 0 HG1 THR A 62 -12.482 -0.388 0.398 1.00 0.00 H new ATOM 0 HG21 THR A 62 -10.190 0.940 -1.707 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.256 0.461 -3.050 1.00 0.00 H new ATOM 0 HG23 THR A 62 -11.924 1.337 -1.652 1.00 0.00 H new ATOM 861 N ASP A 63 -12.562 -2.435 -3.689 1.00 0.00 N ATOM 862 CA ASP A 63 -12.736 -2.671 -5.112 1.00 0.00 C ATOM 863 C ASP A 63 -14.223 -2.589 -5.461 1.00 0.00 C ATOM 864 O ASP A 63 -14.606 -1.898 -6.404 1.00 0.00 O ATOM 865 CB ASP A 63 -12.235 -4.063 -5.504 1.00 0.00 C ATOM 866 CG ASP A 63 -12.028 -4.276 -7.005 1.00 0.00 C ATOM 867 OD1 ASP A 63 -12.879 -4.862 -7.690 1.00 0.00 O ATOM 868 OD2 ASP A 63 -10.923 -3.805 -7.475 1.00 0.00 O ATOM 0 H ASP A 63 -11.975 -3.119 -3.212 1.00 0.00 H new ATOM 0 HA ASP A 63 -12.164 -1.916 -5.651 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.291 -4.251 -4.992 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -12.947 -4.804 -5.142 1.00 0.00 H new ATOM 874 N GLY A 64 -15.022 -3.303 -4.681 1.00 0.00 N ATOM 875 CA GLY A 64 -16.458 -3.319 -4.895 1.00 0.00 C ATOM 876 C GLY A 64 -17.012 -4.742 -4.794 1.00 0.00 C ATOM 877 O GLY A 64 -17.912 -5.007 -3.998 1.00 0.00 O ATOM 0 H GLY A 64 -14.701 -3.875 -3.900 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -16.946 -2.682 -4.158 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -16.688 -2.904 -5.877 1.00 0.00 H new ATOM 881 N LYS A 65 -16.450 -5.621 -5.611 1.00 0.00 N ATOM 882 CA LYS A 65 -16.876 -7.010 -5.623 1.00 0.00 C ATOM 883 C LYS A 65 -16.203 -7.756 -4.470 1.00 0.00 C ATOM 884 O LYS A 65 -15.040 -7.504 -4.158 1.00 0.00 O ATOM 885 CB LYS A 65 -16.618 -7.637 -6.995 1.00 0.00 C ATOM 886 CG LYS A 65 -17.867 -8.352 -7.514 1.00 0.00 C ATOM 887 CD LYS A 65 -17.810 -9.850 -7.205 1.00 0.00 C ATOM 888 CE LYS A 65 -19.207 -10.405 -6.921 1.00 0.00 C ATOM 889 NZ LYS A 65 -19.442 -11.641 -7.700 1.00 0.00 N ATOM 0 H LYS A 65 -15.703 -5.398 -6.269 1.00 0.00 H new ATOM 0 HA LYS A 65 -17.952 -7.080 -5.463 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -16.317 -6.864 -7.702 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -15.792 -8.344 -6.926 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -18.756 -7.916 -7.057 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -17.955 -8.202 -8.590 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -17.368 -10.382 -8.047 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -17.164 -10.023 -6.344 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -19.312 -10.614 -5.856 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -19.960 -9.659 -7.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -20.395 -12.004 -7.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -19.362 -11.432 -8.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -18.735 -12.357 -7.437 1.00 0.00 H new ATOM 900 N GLY A 66 -16.962 -8.659 -3.868 1.00 0.00 N ATOM 901 CA GLY A 66 -16.454 -9.443 -2.755 1.00 0.00 C ATOM 902 C GLY A 66 -15.004 -9.867 -3.001 1.00 0.00 C ATOM 903 O GLY A 66 -14.158 -9.741 -2.117 1.00 0.00 O ATOM 0 H GLY A 66 -17.926 -8.866 -4.130 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.515 -8.860 -1.836 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.076 -10.327 -2.614 1.00 0.00 H new ATOM 907 N VAL A 67 -14.762 -10.362 -4.206 1.00 0.00 N ATOM 908 CA VAL A 67 -13.430 -10.805 -4.579 1.00 0.00 C ATOM 909 C VAL A 67 -12.396 -9.826 -4.020 1.00 0.00 C ATOM 910 O VAL A 67 -12.656 -8.627 -3.931 1.00 0.00 O ATOM 911 CB VAL A 67 -13.339 -10.968 -6.098 1.00 0.00 C ATOM 912 CG1 VAL A 67 -11.991 -11.567 -6.505 1.00 0.00 C ATOM 913 CG2 VAL A 67 -14.498 -11.814 -6.629 1.00 0.00 C ATOM 0 H VAL A 67 -15.466 -10.466 -4.937 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.218 -11.783 -4.147 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.415 -9.977 -6.547 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.952 -11.672 -7.589 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.186 -10.910 -6.175 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.873 -12.546 -6.041 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -14.409 -11.914 -7.711 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.468 -12.802 -6.169 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -15.444 -11.329 -6.386 1.00 0.00 H new ATOM 923 N LEU A 68 -11.245 -10.374 -3.658 1.00 0.00 N ATOM 924 CA LEU A 68 -10.170 -9.563 -3.110 1.00 0.00 C ATOM 925 C LEU A 68 -9.138 -9.286 -4.204 1.00 0.00 C ATOM 926 O LEU A 68 -9.303 -9.720 -5.343 1.00 0.00 O ATOM 927 CB LEU A 68 -9.582 -10.226 -1.863 1.00 0.00 C ATOM 928 CG LEU A 68 -10.556 -10.464 -0.707 1.00 0.00 C ATOM 929 CD1 LEU A 68 -9.809 -10.875 0.563 1.00 0.00 C ATOM 930 CD2 LEU A 68 -11.444 -9.239 -0.478 1.00 0.00 C ATOM 0 H LEU A 68 -11.033 -11.369 -3.733 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.551 -8.597 -2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.153 -11.185 -2.154 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.762 -9.607 -1.499 1.00 0.00 H new ATOM 0 HG LEU A 68 -11.212 -11.292 -0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -10.524 -11.038 1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.255 -11.795 0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.114 -10.085 0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.127 -9.434 0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -10.821 -8.378 -0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.018 -9.032 -1.381 1.00 0.00 H new ATOM 942 N SER A 69 -8.095 -8.565 -3.820 1.00 0.00 N ATOM 943 CA SER A 69 -7.035 -8.224 -4.754 1.00 0.00 C ATOM 944 C SER A 69 -5.671 -8.382 -4.079 1.00 0.00 C ATOM 945 O SER A 69 -5.583 -8.425 -2.853 1.00 0.00 O ATOM 946 CB SER A 69 -7.204 -6.798 -5.283 1.00 0.00 C ATOM 947 OG SER A 69 -8.508 -6.285 -5.027 1.00 0.00 O ATOM 0 H SER A 69 -7.961 -8.207 -2.874 1.00 0.00 H new ATOM 0 HA SER A 69 -7.094 -8.906 -5.602 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.461 -6.149 -4.819 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.013 -6.784 -6.356 1.00 0.00 H new ATOM 0 HG SER A 69 -8.575 -5.373 -5.378 1.00 0.00 H new ATOM 953 N LYS A 70 -4.642 -8.464 -4.909 1.00 0.00 N ATOM 954 CA LYS A 70 -3.287 -8.617 -4.407 1.00 0.00 C ATOM 955 C LYS A 70 -3.093 -7.711 -3.189 1.00 0.00 C ATOM 956 O LYS A 70 -3.274 -8.145 -2.053 1.00 0.00 O ATOM 957 CB LYS A 70 -2.271 -8.370 -5.524 1.00 0.00 C ATOM 958 CG LYS A 70 -2.746 -7.258 -6.462 1.00 0.00 C ATOM 959 CD LYS A 70 -1.601 -6.302 -6.803 1.00 0.00 C ATOM 960 CE LYS A 70 -2.138 -4.935 -7.231 1.00 0.00 C ATOM 961 NZ LYS A 70 -2.285 -4.873 -8.702 1.00 0.00 N ATOM 0 H LYS A 70 -4.719 -8.427 -5.925 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.118 -9.641 -4.074 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.308 -8.099 -5.091 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.118 -9.288 -6.091 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.144 -7.695 -7.378 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.559 -6.704 -5.993 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.949 -6.186 -5.937 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.995 -6.726 -7.604 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.101 -4.751 -6.755 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.461 -4.150 -6.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.650 -3.938 -8.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.359 -5.027 -9.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.949 -5.610 -9.016 1.00 0.00 H new ATOM 972 N GLN A 71 -2.729 -6.468 -3.468 1.00 0.00 N ATOM 973 CA GLN A 71 -2.509 -5.497 -2.410 1.00 0.00 C ATOM 974 C GLN A 71 -3.602 -5.616 -1.346 1.00 0.00 C ATOM 975 O GLN A 71 -3.305 -5.762 -0.161 1.00 0.00 O ATOM 976 CB GLN A 71 -2.445 -4.076 -2.974 1.00 0.00 C ATOM 977 CG GLN A 71 -1.170 -3.363 -2.520 1.00 0.00 C ATOM 978 CD GLN A 71 -1.502 -2.144 -1.657 1.00 0.00 C ATOM 979 OE1 GLN A 71 -2.131 -1.194 -2.094 1.00 0.00 O ATOM 980 NE2 GLN A 71 -1.044 -2.222 -0.411 1.00 0.00 N ATOM 0 H GLN A 71 -2.581 -6.111 -4.412 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.548 -5.710 -1.942 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.478 -4.111 -4.063 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.318 -3.511 -2.647 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.544 -4.054 -1.955 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.594 -3.051 -3.391 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.524 -3.046 -0.109 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.212 -1.458 0.243 1.00 0.00 H new ATOM 989 N GLU A 72 -4.842 -5.549 -1.806 1.00 0.00 N ATOM 990 CA GLU A 72 -5.980 -5.647 -0.908 1.00 0.00 C ATOM 991 C GLU A 72 -5.721 -6.708 0.163 1.00 0.00 C ATOM 992 O GLU A 72 -5.483 -6.379 1.324 1.00 0.00 O ATOM 993 CB GLU A 72 -7.264 -5.951 -1.682 1.00 0.00 C ATOM 994 CG GLU A 72 -7.988 -4.660 -2.073 1.00 0.00 C ATOM 995 CD GLU A 72 -9.162 -4.384 -1.133 1.00 0.00 C ATOM 996 OE1 GLU A 72 -10.313 -4.297 -1.586 1.00 0.00 O ATOM 997 OE2 GLU A 72 -8.846 -4.258 0.112 1.00 0.00 O ATOM 0 H GLU A 72 -5.084 -5.428 -2.789 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.112 -4.685 -0.414 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.026 -6.524 -2.578 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.922 -6.571 -1.073 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.289 -3.824 -2.043 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.349 -4.738 -3.099 1.00 0.00 H new ATOM 1005 N PHE A 73 -5.776 -7.961 -0.265 1.00 0.00 N ATOM 1006 CA PHE A 73 -5.551 -9.073 0.642 1.00 0.00 C ATOM 1007 C PHE A 73 -4.246 -8.889 1.420 1.00 0.00 C ATOM 1008 O PHE A 73 -4.198 -9.130 2.625 1.00 0.00 O ATOM 1009 CB PHE A 73 -5.447 -10.336 -0.214 1.00 0.00 C ATOM 1010 CG PHE A 73 -4.771 -11.513 0.492 1.00 0.00 C ATOM 1011 CD1 PHE A 73 -3.421 -11.521 0.659 1.00 0.00 C ATOM 1012 CD2 PHE A 73 -5.519 -12.551 0.952 1.00 0.00 C ATOM 1013 CE1 PHE A 73 -2.793 -12.614 1.314 1.00 0.00 C ATOM 1014 CE2 PHE A 73 -4.892 -13.643 1.607 1.00 0.00 C ATOM 1015 CZ PHE A 73 -3.542 -13.651 1.774 1.00 0.00 C ATOM 0 H PHE A 73 -5.973 -8.230 -1.229 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.367 -9.137 1.362 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.448 -10.637 -0.522 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.891 -10.102 -1.122 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.827 -10.697 0.294 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.591 -12.545 0.819 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -1.721 -12.621 1.446 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.486 -14.467 1.973 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.065 -14.482 2.272 1.00 0.00 H new ATOM 1025 N PHE A 74 -3.219 -8.465 0.698 1.00 0.00 N ATOM 1026 CA PHE A 74 -1.917 -8.247 1.305 1.00 0.00 C ATOM 1027 C PHE A 74 -2.009 -7.240 2.454 1.00 0.00 C ATOM 1028 O PHE A 74 -1.278 -7.346 3.437 1.00 0.00 O ATOM 1029 CB PHE A 74 -1.005 -7.678 0.216 1.00 0.00 C ATOM 1030 CG PHE A 74 -0.033 -8.699 -0.378 1.00 0.00 C ATOM 1031 CD1 PHE A 74 -0.502 -9.712 -1.154 1.00 0.00 C ATOM 1032 CD2 PHE A 74 1.300 -8.593 -0.129 1.00 0.00 C ATOM 1033 CE1 PHE A 74 0.400 -10.660 -1.706 1.00 0.00 C ATOM 1034 CE2 PHE A 74 2.202 -9.541 -0.681 1.00 0.00 C ATOM 1035 CZ PHE A 74 1.733 -10.554 -1.458 1.00 0.00 C ATOM 0 H PHE A 74 -3.262 -8.267 -0.302 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.533 -9.184 1.708 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.623 -7.271 -0.585 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -0.434 -6.848 0.632 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -1.561 -9.796 -1.351 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.672 -7.789 0.488 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.028 -11.465 -2.322 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.261 -9.458 -0.484 1.00 0.00 H new ATOM 0 HZ PHE A 74 2.419 -11.274 -1.878 1.00 0.00 H new ATOM 1045 N VAL A 75 -2.914 -6.287 2.291 1.00 0.00 N ATOM 1046 CA VAL A 75 -3.112 -5.262 3.302 1.00 0.00 C ATOM 1047 C VAL A 75 -3.795 -5.881 4.523 1.00 0.00 C ATOM 1048 O VAL A 75 -3.307 -5.749 5.645 1.00 0.00 O ATOM 1049 CB VAL A 75 -3.895 -4.088 2.711 1.00 0.00 C ATOM 1050 CG1 VAL A 75 -4.783 -3.432 3.771 1.00 0.00 C ATOM 1051 CG2 VAL A 75 -2.951 -3.064 2.077 1.00 0.00 C ATOM 0 H VAL A 75 -3.519 -6.203 1.474 1.00 0.00 H new ATOM 0 HA VAL A 75 -2.153 -4.863 3.633 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.543 -4.478 1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.329 -2.601 3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.491 -4.165 4.157 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.163 -3.062 4.587 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.533 -2.240 1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.267 -2.682 2.835 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.380 -3.540 1.280 1.00 0.00 H new ATOM 1061 N ALA A 76 -4.913 -6.544 4.264 1.00 0.00 N ATOM 1062 CA ALA A 76 -5.667 -7.184 5.328 1.00 0.00 C ATOM 1063 C ALA A 76 -4.723 -8.040 6.174 1.00 0.00 C ATOM 1064 O ALA A 76 -4.905 -8.162 7.384 1.00 0.00 O ATOM 1065 CB ALA A 76 -6.810 -8.001 4.723 1.00 0.00 C ATOM 0 H ALA A 76 -5.314 -6.652 3.333 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.112 -6.437 5.985 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.376 -8.481 5.521 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.468 -7.342 4.157 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.401 -8.763 4.059 1.00 0.00 H new ATOM 1071 N LEU A 77 -3.733 -8.611 5.503 1.00 0.00 N ATOM 1072 CA LEU A 77 -2.759 -9.452 6.178 1.00 0.00 C ATOM 1073 C LEU A 77 -2.141 -8.675 7.342 1.00 0.00 C ATOM 1074 O LEU A 77 -2.437 -8.951 8.504 1.00 0.00 O ATOM 1075 CB LEU A 77 -1.730 -9.987 5.180 1.00 0.00 C ATOM 1076 CG LEU A 77 -1.767 -11.494 4.921 1.00 0.00 C ATOM 1077 CD1 LEU A 77 -0.678 -11.907 3.929 1.00 0.00 C ATOM 1078 CD2 LEU A 77 -1.676 -12.278 6.232 1.00 0.00 C ATOM 0 H LEU A 77 -3.585 -8.508 4.499 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.244 -10.331 6.603 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.873 -9.472 4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.735 -9.724 5.539 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.727 -11.739 4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.727 -12.983 3.763 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.831 -11.386 2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.300 -11.646 4.333 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.704 -13.347 6.020 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.742 -12.033 6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.517 -12.013 6.873 1.00 0.00 H new ATOM 1090 N ARG A 78 -1.293 -7.719 6.991 1.00 0.00 N ATOM 1091 CA ARG A 78 -0.631 -6.901 7.992 1.00 0.00 C ATOM 1092 C ARG A 78 -1.663 -6.269 8.929 1.00 0.00 C ATOM 1093 O ARG A 78 -1.458 -6.219 10.140 1.00 0.00 O ATOM 1094 CB ARG A 78 0.199 -5.795 7.338 1.00 0.00 C ATOM 1095 CG ARG A 78 1.645 -6.247 7.125 1.00 0.00 C ATOM 1096 CD ARG A 78 1.697 -7.590 6.394 1.00 0.00 C ATOM 1097 NE ARG A 78 1.988 -8.678 7.354 1.00 0.00 N ATOM 1098 CZ ARG A 78 3.224 -8.975 7.810 1.00 0.00 C ATOM 1099 NH1 ARG A 78 4.296 -8.266 7.396 1.00 0.00 N ATOM 1100 NH2 ARG A 78 3.369 -9.969 8.666 1.00 0.00 N ATOM 0 H ARG A 78 -1.049 -7.493 6.027 1.00 0.00 H new ATOM 0 HA ARG A 78 0.034 -7.549 8.563 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.245 -5.520 6.381 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.182 -4.903 7.965 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.184 -5.494 6.550 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.149 -6.333 8.088 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.746 -7.779 5.895 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.464 -7.562 5.620 1.00 0.00 H new ATOM 0 HE ARG A 78 1.206 -9.239 7.692 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.176 -7.499 6.734 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.226 -8.497 7.745 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.554 -10.500 8.974 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.296 -10.206 9.020 1.00 0.00 H new ATOM 1113 N LEU A 79 -2.749 -5.802 8.331 1.00 0.00 N ATOM 1114 CA LEU A 79 -3.813 -5.175 9.096 1.00 0.00 C ATOM 1115 C LEU A 79 -4.067 -5.987 10.368 1.00 0.00 C ATOM 1116 O LEU A 79 -4.231 -5.421 11.448 1.00 0.00 O ATOM 1117 CB LEU A 79 -5.059 -4.987 8.228 1.00 0.00 C ATOM 1118 CG LEU A 79 -5.921 -3.764 8.547 1.00 0.00 C ATOM 1119 CD1 LEU A 79 -7.167 -3.725 7.660 1.00 0.00 C ATOM 1120 CD2 LEU A 79 -6.275 -3.716 10.035 1.00 0.00 C ATOM 0 H LEU A 79 -2.915 -5.845 7.326 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.517 -4.174 9.409 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.745 -4.924 7.186 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.680 -5.878 8.320 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.340 -2.869 8.325 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.762 -2.846 7.907 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.867 -3.677 6.613 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.761 -4.624 7.827 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.888 -2.837 10.235 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.829 -4.614 10.306 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.360 -3.662 10.625 1.00 0.00 H new ATOM 1132 N VAL A 80 -4.093 -7.301 10.198 1.00 0.00 N ATOM 1133 CA VAL A 80 -4.324 -8.196 11.319 1.00 0.00 C ATOM 1134 C VAL A 80 -3.228 -7.989 12.366 1.00 0.00 C ATOM 1135 O VAL A 80 -3.519 -7.799 13.546 1.00 0.00 O ATOM 1136 CB VAL A 80 -4.414 -9.641 10.824 1.00 0.00 C ATOM 1137 CG1 VAL A 80 -4.335 -10.626 11.992 1.00 0.00 C ATOM 1138 CG2 VAL A 80 -5.687 -9.863 10.005 1.00 0.00 C ATOM 0 H VAL A 80 -3.958 -7.767 9.301 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.277 -7.971 11.798 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.560 -9.825 10.172 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.401 -11.646 11.613 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.388 -10.494 12.516 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.159 -10.441 12.681 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.725 -10.898 9.666 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.559 -9.651 10.624 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.685 -9.198 9.141 1.00 0.00 H new ATOM 1148 N ALA A 81 -1.990 -8.033 11.896 1.00 0.00 N ATOM 1149 CA ALA A 81 -0.848 -7.853 12.777 1.00 0.00 C ATOM 1150 C ALA A 81 -0.939 -6.481 13.449 1.00 0.00 C ATOM 1151 O ALA A 81 -0.337 -6.259 14.498 1.00 0.00 O ATOM 1152 CB ALA A 81 0.445 -8.027 11.979 1.00 0.00 C ATOM 0 H ALA A 81 -1.753 -8.191 10.917 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.848 -8.606 13.565 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.301 -7.892 12.640 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.474 -9.027 11.547 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.482 -7.286 11.181 1.00 0.00 H new ATOM 1158 N CYS A 82 -1.697 -5.597 12.816 1.00 0.00 N ATOM 1159 CA CYS A 82 -1.874 -4.253 13.338 1.00 0.00 C ATOM 1160 C CYS A 82 -2.665 -4.346 14.645 1.00 0.00 C ATOM 1161 O CYS A 82 -2.155 -4.000 15.709 1.00 0.00 O ATOM 1162 CB CYS A 82 -2.557 -3.337 12.322 1.00 0.00 C ATOM 1163 SG CYS A 82 -1.732 -1.703 12.298 1.00 0.00 S ATOM 0 H CYS A 82 -2.195 -5.786 11.946 1.00 0.00 H new ATOM 0 HA CYS A 82 -0.900 -3.805 13.535 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -2.518 -3.788 11.330 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -3.610 -3.218 12.577 1.00 0.00 H new ATOM 0 HG CYS A 82 -2.461 -0.859 11.630 1.00 0.00 H new ATOM 1169 N ALA A 83 -3.898 -4.816 14.521 1.00 0.00 N ATOM 1170 CA ALA A 83 -4.764 -4.959 15.679 1.00 0.00 C ATOM 1171 C ALA A 83 -4.095 -5.881 16.700 1.00 0.00 C ATOM 1172 O ALA A 83 -4.419 -5.839 17.886 1.00 0.00 O ATOM 1173 CB ALA A 83 -6.132 -5.479 15.232 1.00 0.00 C ATOM 0 H ALA A 83 -4.318 -5.102 13.637 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.923 -3.994 16.161 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.782 -5.586 16.100 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.578 -4.774 14.530 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.012 -6.448 14.746 1.00 0.00 H new ATOM 1179 N GLN A 84 -3.173 -6.693 16.202 1.00 0.00 N ATOM 1180 CA GLN A 84 -2.456 -7.623 17.057 1.00 0.00 C ATOM 1181 C GLN A 84 -1.518 -6.865 17.998 1.00 0.00 C ATOM 1182 O GLN A 84 -0.919 -7.458 18.894 1.00 0.00 O ATOM 1183 CB GLN A 84 -1.685 -8.650 16.224 1.00 0.00 C ATOM 1184 CG GLN A 84 -2.643 -9.575 15.471 1.00 0.00 C ATOM 1185 CD GLN A 84 -2.478 -11.025 15.929 1.00 0.00 C ATOM 1186 OE1 GLN A 84 -3.420 -11.686 16.334 1.00 0.00 O ATOM 1187 NE2 GLN A 84 -1.232 -11.482 15.844 1.00 0.00 N ATOM 0 H GLN A 84 -2.907 -6.726 15.218 1.00 0.00 H new ATOM 0 HA GLN A 84 -3.183 -8.165 17.661 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -1.037 -8.135 15.514 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.040 -9.240 16.874 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -3.671 -9.252 15.636 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.455 -9.505 14.400 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.489 -10.876 15.496 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.019 -12.439 16.127 1.00 0.00 H new ATOM 1196 N ASN A 85 -1.419 -5.565 17.762 1.00 0.00 N ATOM 1197 CA ASN A 85 -0.564 -4.719 18.578 1.00 0.00 C ATOM 1198 C ASN A 85 -1.431 -3.750 19.383 1.00 0.00 C ATOM 1199 O ASN A 85 -1.067 -3.360 20.492 1.00 0.00 O ATOM 1200 CB ASN A 85 0.385 -3.893 17.707 1.00 0.00 C ATOM 1201 CG ASN A 85 1.706 -3.629 18.434 1.00 0.00 C ATOM 1202 OD1 ASN A 85 2.464 -4.533 18.745 1.00 0.00 O ATOM 1203 ND2 ASN A 85 1.937 -2.344 18.685 1.00 0.00 N ATOM 0 H ASN A 85 -1.917 -5.077 17.017 1.00 0.00 H new ATOM 0 HA ASN A 85 0.019 -5.363 19.236 1.00 0.00 H new ATOM 0 HB2 ASN A 85 0.579 -4.420 16.773 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -0.087 -2.945 17.446 1.00 0.00 H new ATOM 0 HD21 ASN A 85 2.792 -2.064 19.166 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.259 -1.638 18.397 1.00 0.00 H new ATOM 1210 N GLY A 86 -2.562 -3.389 18.795 1.00 0.00 N ATOM 1211 CA GLY A 86 -3.484 -2.473 19.444 1.00 0.00 C ATOM 1212 C GLY A 86 -3.796 -1.278 18.541 1.00 0.00 C ATOM 1213 O GLY A 86 -4.529 -0.372 18.935 1.00 0.00 O ATOM 0 H GLY A 86 -2.861 -3.715 17.876 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.407 -2.996 19.693 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.054 -2.122 20.382 1.00 0.00 H new ATOM 1217 N LEU A 87 -3.224 -1.314 17.346 1.00 0.00 N ATOM 1218 CA LEU A 87 -3.432 -0.245 16.384 1.00 0.00 C ATOM 1219 C LEU A 87 -4.812 -0.403 15.744 1.00 0.00 C ATOM 1220 O LEU A 87 -5.280 -1.521 15.535 1.00 0.00 O ATOM 1221 CB LEU A 87 -2.285 -0.205 15.372 1.00 0.00 C ATOM 1222 CG LEU A 87 -0.877 -0.088 15.959 1.00 0.00 C ATOM 1223 CD1 LEU A 87 0.185 -0.381 14.897 1.00 0.00 C ATOM 1224 CD2 LEU A 87 -0.669 1.278 16.616 1.00 0.00 C ATOM 0 H LEU A 87 -2.617 -2.067 17.022 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.421 0.724 16.882 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.330 -1.109 14.765 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.448 0.638 14.700 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.768 -0.841 16.740 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.177 -0.291 15.340 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.048 -1.393 14.515 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.087 0.332 14.078 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.340 1.335 17.025 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.804 2.064 15.873 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.394 1.410 17.419 1.00 0.00 H new ATOM 1236 N GLU A 88 -5.426 0.734 15.449 1.00 0.00 N ATOM 1237 CA GLU A 88 -6.744 0.736 14.836 1.00 0.00 C ATOM 1238 C GLU A 88 -6.834 -0.354 13.767 1.00 0.00 C ATOM 1239 O GLU A 88 -5.812 -0.848 13.292 1.00 0.00 O ATOM 1240 CB GLU A 88 -7.072 2.110 14.248 1.00 0.00 C ATOM 1241 CG GLU A 88 -8.558 2.436 14.413 1.00 0.00 C ATOM 1242 CD GLU A 88 -8.751 3.854 14.955 1.00 0.00 C ATOM 1243 OE1 GLU A 88 -8.517 4.832 14.229 1.00 0.00 O ATOM 1244 OE2 GLU A 88 -9.160 3.920 16.177 1.00 0.00 O ATOM 0 H GLU A 88 -5.035 1.660 15.623 1.00 0.00 H new ATOM 0 HA GLU A 88 -7.483 0.521 15.608 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.471 2.874 14.742 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.807 2.130 13.191 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.064 2.338 13.453 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.019 1.718 15.091 1.00 0.00 H new ATOM 1252 N VAL A 89 -8.065 -0.698 13.420 1.00 0.00 N ATOM 1253 CA VAL A 89 -8.302 -1.721 12.415 1.00 0.00 C ATOM 1254 C VAL A 89 -8.495 -1.055 11.051 1.00 0.00 C ATOM 1255 O VAL A 89 -8.662 -1.737 10.042 1.00 0.00 O ATOM 1256 CB VAL A 89 -9.488 -2.595 12.828 1.00 0.00 C ATOM 1257 CG1 VAL A 89 -9.581 -3.843 11.948 1.00 0.00 C ATOM 1258 CG2 VAL A 89 -9.402 -2.972 14.308 1.00 0.00 C ATOM 0 H VAL A 89 -8.910 -0.287 13.817 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.440 -2.384 12.333 1.00 0.00 H new ATOM 0 HB VAL A 89 -10.399 -2.014 12.683 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.432 -4.447 12.262 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.712 -3.546 10.908 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -8.666 -4.427 12.046 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.257 -3.593 14.576 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.481 -3.525 14.490 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.407 -2.067 14.915 1.00 0.00 H new ATOM 1268 N SER A 90 -8.467 0.269 11.066 1.00 0.00 N ATOM 1269 CA SER A 90 -8.637 1.035 9.842 1.00 0.00 C ATOM 1270 C SER A 90 -7.271 1.380 9.246 1.00 0.00 C ATOM 1271 O SER A 90 -6.259 1.347 9.944 1.00 0.00 O ATOM 1272 CB SER A 90 -9.442 2.311 10.099 1.00 0.00 C ATOM 1273 OG SER A 90 -10.846 2.080 10.028 1.00 0.00 O ATOM 0 H SER A 90 -8.329 0.831 11.906 1.00 0.00 H new ATOM 0 HA SER A 90 -9.192 0.424 9.130 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.189 2.707 11.082 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.162 3.070 9.368 1.00 0.00 H new ATOM 0 HG SER A 90 -11.324 2.918 10.199 1.00 0.00 H new ATOM 1279 N LEU A 91 -7.286 1.703 7.961 1.00 0.00 N ATOM 1280 CA LEU A 91 -6.061 2.053 7.263 1.00 0.00 C ATOM 1281 C LEU A 91 -5.370 3.202 8.000 1.00 0.00 C ATOM 1282 O LEU A 91 -4.165 3.401 7.856 1.00 0.00 O ATOM 1283 CB LEU A 91 -6.350 2.352 5.791 1.00 0.00 C ATOM 1284 CG LEU A 91 -6.080 1.211 4.809 1.00 0.00 C ATOM 1285 CD1 LEU A 91 -6.699 1.506 3.441 1.00 0.00 C ATOM 1286 CD2 LEU A 91 -4.581 0.917 4.708 1.00 0.00 C ATOM 0 H LEU A 91 -8.127 1.730 7.385 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.368 1.211 7.263 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.396 2.644 5.699 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.751 3.212 5.491 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.560 0.311 5.192 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.492 0.679 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.777 1.627 3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.269 2.423 3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.417 0.102 4.003 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.058 1.808 4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.199 0.632 5.688 1.00 0.00 H new ATOM 1298 N SER A 92 -6.163 3.928 8.775 1.00 0.00 N ATOM 1299 CA SER A 92 -5.643 5.052 9.534 1.00 0.00 C ATOM 1300 C SER A 92 -4.452 4.603 10.384 1.00 0.00 C ATOM 1301 O SER A 92 -3.622 5.421 10.777 1.00 0.00 O ATOM 1302 CB SER A 92 -6.727 5.665 10.423 1.00 0.00 C ATOM 1303 OG SER A 92 -7.380 6.761 9.789 1.00 0.00 O ATOM 0 H SER A 92 -7.162 3.759 8.893 1.00 0.00 H new ATOM 0 HA SER A 92 -5.313 5.816 8.830 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.463 4.902 10.676 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.281 6.001 11.359 1.00 0.00 H new ATOM 0 HG SER A 92 -8.066 7.124 10.388 1.00 0.00 H new ATOM 1309 N SER A 93 -4.405 3.304 10.641 1.00 0.00 N ATOM 1310 CA SER A 93 -3.330 2.736 11.436 1.00 0.00 C ATOM 1311 C SER A 93 -2.503 1.771 10.584 1.00 0.00 C ATOM 1312 O SER A 93 -1.932 0.813 11.103 1.00 0.00 O ATOM 1313 CB SER A 93 -3.878 2.018 12.671 1.00 0.00 C ATOM 1314 OG SER A 93 -3.645 2.759 13.866 1.00 0.00 O ATOM 0 H SER A 93 -5.095 2.628 10.312 1.00 0.00 H new ATOM 0 HA SER A 93 -2.690 3.550 11.777 1.00 0.00 H new ATOM 0 HB2 SER A 93 -4.949 1.853 12.549 1.00 0.00 H new ATOM 0 HB3 SER A 93 -3.412 1.036 12.756 1.00 0.00 H new ATOM 0 HG SER A 93 -4.401 3.361 14.030 1.00 0.00 H new ATOM 1320 N LEU A 94 -2.463 2.058 9.291 1.00 0.00 N ATOM 1321 CA LEU A 94 -1.716 1.227 8.363 1.00 0.00 C ATOM 1322 C LEU A 94 -0.592 2.055 7.736 1.00 0.00 C ATOM 1323 O LEU A 94 -0.467 3.248 8.011 1.00 0.00 O ATOM 1324 CB LEU A 94 -2.655 0.590 7.338 1.00 0.00 C ATOM 1325 CG LEU A 94 -3.342 -0.707 7.773 1.00 0.00 C ATOM 1326 CD1 LEU A 94 -2.316 -1.814 8.021 1.00 0.00 C ATOM 1327 CD2 LEU A 94 -4.237 -0.471 8.991 1.00 0.00 C ATOM 0 H LEU A 94 -2.936 2.855 8.864 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.246 0.396 8.889 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.425 1.317 7.079 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.087 0.390 6.429 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.986 -1.042 6.960 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.830 -2.724 8.329 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.758 -2.005 7.104 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.628 -1.503 8.807 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.713 -1.408 9.280 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.634 -0.100 9.820 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.003 0.264 8.743 1.00 0.00 H new ATOM 1339 N SER A 95 0.197 1.390 6.905 1.00 0.00 N ATOM 1340 CA SER A 95 1.306 2.050 6.236 1.00 0.00 C ATOM 1341 C SER A 95 2.485 2.195 7.200 1.00 0.00 C ATOM 1342 O SER A 95 3.449 2.900 6.904 1.00 0.00 O ATOM 1343 CB SER A 95 0.888 3.419 5.698 1.00 0.00 C ATOM 1344 OG SER A 95 1.308 4.480 6.552 1.00 0.00 O ATOM 0 H SER A 95 0.091 0.401 6.680 1.00 0.00 H new ATOM 0 HA SER A 95 1.611 1.435 5.389 1.00 0.00 H new ATOM 0 HB2 SER A 95 1.313 3.563 4.705 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.196 3.450 5.588 1.00 0.00 H new ATOM 0 HG SER A 95 0.831 4.421 7.406 1.00 0.00 H new ATOM 1350 N LEU A 96 2.371 1.517 8.332 1.00 0.00 N ATOM 1351 CA LEU A 96 3.416 1.562 9.341 1.00 0.00 C ATOM 1352 C LEU A 96 4.186 0.240 9.330 1.00 0.00 C ATOM 1353 O LEU A 96 4.059 -0.549 8.394 1.00 0.00 O ATOM 1354 CB LEU A 96 2.827 1.919 10.707 1.00 0.00 C ATOM 1355 CG LEU A 96 1.452 2.591 10.690 1.00 0.00 C ATOM 1356 CD1 LEU A 96 0.731 2.396 12.025 1.00 0.00 C ATOM 1357 CD2 LEU A 96 1.568 4.068 10.311 1.00 0.00 C ATOM 0 H LEU A 96 1.570 0.933 8.573 1.00 0.00 H new ATOM 0 HA LEU A 96 4.132 2.351 9.113 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.756 1.007 11.300 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.526 2.579 11.220 1.00 0.00 H new ATOM 0 HG LEU A 96 0.845 2.109 9.923 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.243 2.883 11.987 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.597 1.331 12.214 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.325 2.835 12.827 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.577 4.521 10.306 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.199 4.581 11.037 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.011 4.155 9.319 1.00 0.00 H new ATOM 1369 N ALA A 97 4.968 0.039 10.380 1.00 0.00 N ATOM 1370 CA ALA A 97 5.759 -1.174 10.503 1.00 0.00 C ATOM 1371 C ALA A 97 5.045 -2.150 11.440 1.00 0.00 C ATOM 1372 O ALA A 97 5.610 -2.576 12.446 1.00 0.00 O ATOM 1373 CB ALA A 97 7.165 -0.819 10.992 1.00 0.00 C ATOM 0 H ALA A 97 5.071 0.696 11.154 1.00 0.00 H new ATOM 0 HA ALA A 97 5.864 -1.664 9.535 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.759 -1.729 11.084 1.00 0.00 H new ATOM 0 HB2 ALA A 97 7.640 -0.147 10.277 1.00 0.00 H new ATOM 0 HB3 ALA A 97 7.099 -0.328 11.963 1.00 0.00 H new ATOM 1379 N VAL A 98 3.814 -2.477 11.076 1.00 0.00 N ATOM 1380 CA VAL A 98 3.016 -3.395 11.871 1.00 0.00 C ATOM 1381 C VAL A 98 3.906 -4.536 12.369 1.00 0.00 C ATOM 1382 O VAL A 98 4.888 -4.892 11.719 1.00 0.00 O ATOM 1383 CB VAL A 98 1.816 -3.884 11.058 1.00 0.00 C ATOM 1384 CG1 VAL A 98 1.050 -2.708 10.449 1.00 0.00 C ATOM 1385 CG2 VAL A 98 2.253 -4.874 9.976 1.00 0.00 C ATOM 0 H VAL A 98 3.349 -2.122 10.240 1.00 0.00 H new ATOM 0 HA VAL A 98 2.613 -2.890 12.749 1.00 0.00 H new ATOM 0 HB VAL A 98 1.142 -4.406 11.737 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.202 -3.084 9.876 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.690 -2.057 11.245 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.711 -2.145 9.791 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.381 -5.206 9.413 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.957 -4.388 9.301 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.733 -5.734 10.442 1.00 0.00 H new ATOM 1395 N PRO A 99 3.521 -5.092 13.549 1.00 0.00 N ATOM 1396 CA PRO A 99 4.272 -6.185 14.142 1.00 0.00 C ATOM 1397 C PRO A 99 4.011 -7.496 13.399 1.00 0.00 C ATOM 1398 O PRO A 99 3.201 -7.540 12.474 1.00 0.00 O ATOM 1399 CB PRO A 99 3.826 -6.226 15.595 1.00 0.00 C ATOM 1400 CG PRO A 99 2.511 -5.466 15.649 1.00 0.00 C ATOM 1401 CD PRO A 99 2.364 -4.696 14.347 1.00 0.00 C ATOM 0 HA PRO A 99 5.350 -6.040 14.074 1.00 0.00 H new ATOM 0 HB2 PRO A 99 3.697 -7.254 15.935 1.00 0.00 H new ATOM 0 HB3 PRO A 99 4.570 -5.766 16.245 1.00 0.00 H new ATOM 0 HG2 PRO A 99 1.677 -6.155 15.781 1.00 0.00 H new ATOM 0 HG3 PRO A 99 2.499 -4.784 16.499 1.00 0.00 H new ATOM 0 HD2 PRO A 99 1.431 -4.946 13.842 1.00 0.00 H new ATOM 0 HD3 PRO A 99 2.353 -3.620 14.522 1.00 0.00 H new ATOM 1409 N PRO A 100 4.731 -8.562 13.842 1.00 0.00 N ATOM 1410 CA PRO A 100 4.585 -9.871 13.230 1.00 0.00 C ATOM 1411 C PRO A 100 3.274 -10.534 13.659 1.00 0.00 C ATOM 1412 O PRO A 100 2.975 -10.613 14.849 1.00 0.00 O ATOM 1413 CB PRO A 100 5.815 -10.649 13.667 1.00 0.00 C ATOM 1414 CG PRO A 100 6.367 -9.912 14.876 1.00 0.00 C ATOM 1415 CD PRO A 100 5.699 -8.548 14.935 1.00 0.00 C ATOM 0 HA PRO A 100 4.526 -9.823 12.143 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.557 -11.677 13.921 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.553 -10.694 12.866 1.00 0.00 H new ATOM 0 HG2 PRO A 100 6.169 -10.474 15.789 1.00 0.00 H new ATOM 0 HG3 PRO A 100 7.449 -9.804 14.796 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.209 -8.388 15.896 1.00 0.00 H new ATOM 0 HD3 PRO A 100 6.426 -7.745 14.810 1.00 0.00 H new ATOM 1423 N PRO A 101 2.508 -11.006 12.639 1.00 0.00 N ATOM 1424 CA PRO A 101 1.237 -11.660 12.898 1.00 0.00 C ATOM 1425 C PRO A 101 1.449 -13.075 13.440 1.00 0.00 C ATOM 1426 O PRO A 101 2.547 -13.420 13.873 1.00 0.00 O ATOM 1427 CB PRO A 101 0.504 -11.637 11.567 1.00 0.00 C ATOM 1428 CG PRO A 101 1.568 -11.394 10.509 1.00 0.00 C ATOM 1429 CD PRO A 101 2.831 -10.930 11.217 1.00 0.00 C ATOM 0 HA PRO A 101 0.653 -11.155 13.667 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -0.014 -12.579 11.390 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -0.250 -10.850 11.550 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.760 -12.306 9.944 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.232 -10.642 9.795 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.680 -11.567 10.969 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.098 -9.914 10.925 1.00 0.00 H new ATOM 1437 N ARG A 102 0.379 -13.856 13.399 1.00 0.00 N ATOM 1438 CA ARG A 102 0.434 -15.226 13.881 1.00 0.00 C ATOM 1439 C ARG A 102 0.608 -16.194 12.709 1.00 0.00 C ATOM 1440 O ARG A 102 1.205 -17.258 12.862 1.00 0.00 O ATOM 1441 CB ARG A 102 -0.837 -15.590 14.650 1.00 0.00 C ATOM 1442 CG ARG A 102 -0.510 -16.443 15.878 1.00 0.00 C ATOM 1443 CD ARG A 102 -0.590 -17.934 15.547 1.00 0.00 C ATOM 1444 NE ARG A 102 -1.655 -18.574 16.351 1.00 0.00 N ATOM 1445 CZ ARG A 102 -1.723 -19.899 16.600 1.00 0.00 C ATOM 1446 NH1 ARG A 102 -0.785 -20.738 16.109 1.00 0.00 N ATOM 1447 NH2 ARG A 102 -2.719 -20.363 17.332 1.00 0.00 N ATOM 0 H ARG A 102 -0.531 -13.566 13.040 1.00 0.00 H new ATOM 0 HA ARG A 102 1.288 -15.307 14.554 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -1.351 -14.681 14.961 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -1.519 -16.134 13.996 1.00 0.00 H new ATOM 0 HG2 ARG A 102 0.490 -16.200 16.238 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.205 -16.208 16.684 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -0.794 -18.069 14.485 1.00 0.00 H new ATOM 0 HD3 ARG A 102 0.368 -18.412 15.751 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.383 -17.976 16.742 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -0.018 -20.372 15.545 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -0.844 -21.738 16.302 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -3.423 -19.723 17.700 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -2.785 -21.362 17.529 1.00 0.00 H new ATOM 1460 N PHE A 103 0.075 -15.790 11.565 1.00 0.00 N ATOM 1461 CA PHE A 103 0.164 -16.608 10.368 1.00 0.00 C ATOM 1462 C PHE A 103 1.529 -17.292 10.271 1.00 0.00 C ATOM 1463 O PHE A 103 2.484 -16.875 10.925 1.00 0.00 O ATOM 1464 CB PHE A 103 -0.010 -15.671 9.171 1.00 0.00 C ATOM 1465 CG PHE A 103 -1.208 -14.726 9.290 1.00 0.00 C ATOM 1466 CD1 PHE A 103 -2.472 -15.225 9.264 1.00 0.00 C ATOM 1467 CD2 PHE A 103 -1.007 -13.387 9.421 1.00 0.00 C ATOM 1468 CE1 PHE A 103 -3.584 -14.348 9.373 1.00 0.00 C ATOM 1469 CE2 PHE A 103 -2.119 -12.511 9.531 1.00 0.00 C ATOM 1470 CZ PHE A 103 -3.384 -13.010 9.505 1.00 0.00 C ATOM 0 H PHE A 103 -0.420 -14.907 11.442 1.00 0.00 H new ATOM 0 HA PHE A 103 -0.601 -17.385 10.391 1.00 0.00 H new ATOM 0 HB2 PHE A 103 0.897 -15.078 9.052 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.121 -16.270 8.267 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -2.631 -16.288 9.160 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -0.003 -12.991 9.441 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.588 -14.744 9.351 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.960 -11.448 9.635 1.00 0.00 H new ATOM 0 HZ PHE A 103 -4.229 -12.343 9.589 1.00 0.00 H new ATOM 1480 N HIS A 104 1.578 -18.331 9.450 1.00 0.00 N ATOM 1481 CA HIS A 104 2.811 -19.076 9.259 1.00 0.00 C ATOM 1482 C HIS A 104 3.816 -18.218 8.489 1.00 0.00 C ATOM 1483 O HIS A 104 3.469 -17.149 7.988 1.00 0.00 O ATOM 1484 CB HIS A 104 2.534 -20.419 8.579 1.00 0.00 C ATOM 1485 CG HIS A 104 3.777 -21.217 8.269 1.00 0.00 C ATOM 1486 ND1 HIS A 104 4.413 -22.011 9.208 1.00 0.00 N ATOM 1487 CD2 HIS A 104 4.494 -21.338 7.114 1.00 0.00 C ATOM 1488 CE1 HIS A 104 5.464 -22.577 8.634 1.00 0.00 C ATOM 1489 NE2 HIS A 104 5.513 -22.159 7.337 1.00 0.00 N ATOM 0 H HIS A 104 0.784 -18.674 8.910 1.00 0.00 H new ATOM 0 HA HIS A 104 3.253 -19.309 10.228 1.00 0.00 H new ATOM 0 HB2 HIS A 104 1.884 -21.013 9.222 1.00 0.00 H new ATOM 0 HB3 HIS A 104 1.989 -20.240 7.652 1.00 0.00 H new ATOM 0 HD2 HIS A 104 4.270 -20.849 6.178 1.00 0.00 H new ATOM 0 HE1 HIS A 104 6.160 -23.252 9.110 1.00 0.00 H new ATOM 0 HE2 HIS A 104 6.217 -22.432 6.651 1.00 0.00 H new ATOM 1497 N ASP A 105 5.041 -18.717 8.418 1.00 0.00 N ATOM 1498 CA ASP A 105 6.099 -18.009 7.717 1.00 0.00 C ATOM 1499 C ASP A 105 7.319 -18.923 7.589 1.00 0.00 C ATOM 1500 O ASP A 105 7.184 -20.105 7.277 1.00 0.00 O ATOM 1501 CB ASP A 105 6.525 -16.756 8.484 1.00 0.00 C ATOM 1502 CG ASP A 105 6.387 -15.445 7.708 1.00 0.00 C ATOM 1503 OD1 ASP A 105 6.413 -15.431 6.469 1.00 0.00 O ATOM 1504 OD2 ASP A 105 6.247 -14.391 8.439 1.00 0.00 O ATOM 0 H ASP A 105 5.325 -19.604 8.835 1.00 0.00 H new ATOM 0 HA ASP A 105 5.720 -17.720 6.737 1.00 0.00 H new ATOM 0 HB2 ASP A 105 5.930 -16.686 9.395 1.00 0.00 H new ATOM 0 HB3 ASP A 105 7.565 -16.872 8.790 1.00 0.00 H new TER 1510 ASP A 105