USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 946 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 SER OG : rot 164:sc= -0.128 USER MOD Set 1.2: A 92 TYR OH : rot 16:sc= 0.572 USER MOD Set 2.1: A 73 ASN : amide:sc= -1.35 K(o=-1.2,f=0.41) USER MOD Set 2.2: A 112 TYR OH : rot -116:sc= 0.179 USER MOD Set 3.1: A 34 TYR OH : rot 15:sc= -0.16 USER MOD Set 3.2: A 36 HIS : no HE2:sc= -5.22 X(o=-5.4,f=-5.6!) USER MOD Set 4.1: A 18 SER OG : rot -12:sc= 1.16 USER MOD Set 4.2: A 22 HIS : no HE2:sc= 1.53 K(o=2.7,f=-9.2!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= -2.43! USER MOD Single : A 11 TYR OH : rot 50:sc= -0.982 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.0078) USER MOD Single : A 13 GLN : amide:sc= -3.91! K(o=-3.9!,f=-1.9) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 15 LYS NZ :NH3+ -141:sc= -0.171 (180deg=-2.17!) USER MOD Single : A 19 ASN : amide:sc= -1.71 K(o=-1.7,f=-2.9!) USER MOD Single : A 20 SER OG : rot -41:sc= 1.32 USER MOD Single : A 21 HIS : no HD1:sc= -0.0912 X(o=-0.091,f=0) USER MOD Single : A 26 SER OG : rot 62:sc= -0.132 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -135:sc= 1.27 USER MOD Single : A 33 SER OG : rot 66:sc= 0.269 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.762 K(o=-0.76,f=-4.5!) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.0392 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -2.77 K(o=-2.8,f=-8.2!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -2.6 X(o=-2.6,f=-2.2!) USER MOD Single : A 79 TYR OH : rot -102:sc= -1.14 USER MOD Single : A 85 THR OG1 : rot -114:sc= -0.916 USER MOD Single : A 90 HIS : no HD1:sc= -0.192 K(o=-0.19,f=-6.1!) USER MOD Single : A 93 LYS NZ :NH3+ -136:sc= -0.0785 (180deg=-1.15) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -154:sc= -0.178 (180deg=-0.862) USER MOD Single : A 102 ASN : amide:sc= -0.246 K(o=-0.25,f=-1.5) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.137 K(o=-0.14,f=-0.76) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 SER OG : rot 31:sc= 0.00989 USER MOD Single : A 136 HIS : no HD1:sc= -4.58 K(o=-4.6,f=-3.7) USER MOD ----------------------------------------------------------------- ATOM 13 N VAL A 2 1.741 -0.381 -3.574 1.00 0.00 N ATOM 14 CA VAL A 2 0.962 -0.865 -4.736 1.00 0.00 C ATOM 15 C VAL A 2 -0.007 -2.005 -4.371 1.00 0.00 C ATOM 16 O VAL A 2 0.231 -2.839 -3.484 1.00 0.00 O ATOM 17 CB VAL A 2 1.914 -1.236 -5.895 1.00 0.00 C ATOM 18 CG1 VAL A 2 2.855 -2.397 -5.530 1.00 0.00 C ATOM 19 CG2 VAL A 2 1.142 -1.466 -7.214 1.00 0.00 C ATOM 0 HA VAL A 2 0.322 -0.050 -5.075 1.00 0.00 H new ATOM 0 HB VAL A 2 2.565 -0.379 -6.068 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.504 -2.620 -6.377 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.464 -2.116 -4.671 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.265 -3.280 -5.283 1.00 0.00 H new ATOM 0 HG21 VAL A 2 1.844 -1.725 -8.006 1.00 0.00 H new ATOM 0 HG22 VAL A 2 0.429 -2.280 -7.081 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.607 -0.556 -7.486 1.00 0.00 H new ATOM 29 N THR A 3 -1.168 -1.977 -5.000 1.00 0.00 N ATOM 30 CA THR A 3 -2.257 -2.880 -4.679 1.00 0.00 C ATOM 31 C THR A 3 -2.149 -4.076 -5.603 1.00 0.00 C ATOM 32 O THR A 3 -2.259 -3.925 -6.806 1.00 0.00 O ATOM 33 CB THR A 3 -3.600 -2.154 -4.740 1.00 0.00 C ATOM 34 OG1 THR A 3 -3.552 -0.898 -4.115 1.00 0.00 O ATOM 35 CG2 THR A 3 -4.623 -2.930 -3.923 1.00 0.00 C ATOM 0 H THR A 3 -1.383 -1.323 -5.753 1.00 0.00 H new ATOM 0 HA THR A 3 -2.190 -3.243 -3.653 1.00 0.00 H new ATOM 0 HB THR A 3 -3.849 -2.061 -5.797 1.00 0.00 H new ATOM 0 HG1 THR A 3 -4.430 -0.467 -4.178 1.00 0.00 H new ATOM 0 HG21 THR A 3 -5.584 -2.417 -3.962 1.00 0.00 H new ATOM 0 HG22 THR A 3 -4.730 -3.934 -4.333 1.00 0.00 H new ATOM 0 HG23 THR A 3 -4.288 -2.995 -2.888 1.00 0.00 H new ATOM 43 N TRP A 4 -1.813 -5.249 -5.074 1.00 0.00 N ATOM 44 CA TRP A 4 -1.648 -6.460 -5.860 1.00 0.00 C ATOM 45 C TRP A 4 -3.025 -6.952 -6.214 1.00 0.00 C ATOM 46 O TRP A 4 -3.950 -6.792 -5.425 1.00 0.00 O ATOM 47 CB TRP A 4 -0.865 -7.497 -5.045 1.00 0.00 C ATOM 48 CG TRP A 4 0.530 -7.140 -4.772 1.00 0.00 C ATOM 49 CD1 TRP A 4 0.914 -5.995 -4.178 1.00 0.00 C ATOM 50 CD2 TRP A 4 1.742 -7.851 -5.165 1.00 0.00 C ATOM 51 NE1 TRP A 4 2.276 -5.933 -4.271 1.00 0.00 N ATOM 52 CE2 TRP A 4 2.860 -7.065 -4.792 1.00 0.00 C ATOM 53 CE3 TRP A 4 2.045 -9.041 -5.845 1.00 0.00 C ATOM 54 CZ2 TRP A 4 4.195 -7.486 -4.988 1.00 0.00 C ATOM 55 CZ3 TRP A 4 3.364 -9.463 -6.104 1.00 0.00 C ATOM 56 CH2 TRP A 4 4.454 -8.695 -5.659 1.00 0.00 C ATOM 0 H TRP A 4 -1.647 -5.383 -4.077 1.00 0.00 H new ATOM 0 HA TRP A 4 -1.082 -6.275 -6.773 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -1.377 -7.654 -4.096 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -0.884 -8.447 -5.579 1.00 0.00 H new ATOM 0 HD1 TRP A 4 0.268 -5.264 -3.715 1.00 0.00 H new ATOM 0 HE1 TRP A 4 2.814 -5.117 -3.979 1.00 0.00 H new ATOM 0 HE3 TRP A 4 1.229 -9.662 -6.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 5.013 -6.882 -4.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 3.538 -10.380 -6.647 1.00 0.00 H new ATOM 0 HH2 TRP A 4 5.468 -9.026 -5.829 1.00 0.00 H new ATOM 67 N THR A 5 -3.173 -7.500 -7.408 1.00 0.00 N ATOM 68 CA THR A 5 -4.474 -8.015 -7.861 1.00 0.00 C ATOM 69 C THR A 5 -4.220 -9.230 -8.735 1.00 0.00 C ATOM 70 O THR A 5 -3.186 -9.348 -9.384 1.00 0.00 O ATOM 71 CB THR A 5 -5.295 -6.929 -8.619 1.00 0.00 C ATOM 72 OG1 THR A 5 -5.946 -6.059 -7.762 1.00 0.00 O ATOM 73 CG2 THR A 5 -6.359 -7.383 -9.631 1.00 0.00 C ATOM 0 H THR A 5 -2.418 -7.604 -8.086 1.00 0.00 H new ATOM 0 HA THR A 5 -5.075 -8.298 -6.997 1.00 0.00 H new ATOM 0 HB THR A 5 -4.488 -6.467 -9.187 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.445 -5.397 -8.285 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.839 -6.509 -10.071 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.886 -7.971 -10.417 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.108 -7.992 -9.124 1.00 0.00 H new ATOM 81 N CYS A 6 -5.191 -10.126 -8.785 1.00 0.00 N ATOM 82 CA CYS A 6 -5.192 -11.282 -9.698 1.00 0.00 C ATOM 83 C CYS A 6 -6.442 -11.384 -10.567 1.00 0.00 C ATOM 84 O CYS A 6 -6.423 -10.973 -11.714 1.00 0.00 O ATOM 85 CB CYS A 6 -4.964 -12.526 -8.868 1.00 0.00 C ATOM 86 SG CYS A 6 -3.277 -13.062 -9.043 1.00 0.00 S ATOM 0 H CYS A 6 -6.017 -10.080 -8.189 1.00 0.00 H new ATOM 0 HA CYS A 6 -4.386 -11.156 -10.421 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -5.184 -12.321 -7.820 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.642 -13.317 -9.187 1.00 0.00 H new ATOM 91 N GLY A 7 -7.517 -11.983 -10.060 1.00 0.00 N ATOM 92 CA GLY A 7 -8.772 -12.186 -10.803 1.00 0.00 C ATOM 93 C GLY A 7 -9.819 -11.166 -10.383 1.00 0.00 C ATOM 94 O GLY A 7 -10.827 -11.547 -9.813 1.00 0.00 O ATOM 0 H GLY A 7 -7.548 -12.349 -9.108 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.584 -12.101 -11.873 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.147 -13.194 -10.624 1.00 0.00 H new ATOM 98 N GLY A 8 -9.527 -9.867 -10.527 1.00 0.00 N ATOM 99 CA GLY A 8 -10.383 -8.769 -9.984 1.00 0.00 C ATOM 100 C GLY A 8 -10.375 -8.543 -8.465 1.00 0.00 C ATOM 101 O GLY A 8 -11.046 -7.657 -7.951 1.00 0.00 O ATOM 0 H GLY A 8 -8.698 -9.534 -11.019 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.079 -7.838 -10.463 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.411 -8.963 -10.289 1.00 0.00 H new ATOM 105 N LEU A 9 -9.663 -9.378 -7.732 1.00 0.00 N ATOM 106 CA LEU A 9 -9.563 -9.373 -6.279 1.00 0.00 C ATOM 107 C LEU A 9 -8.310 -8.562 -5.879 1.00 0.00 C ATOM 108 O LEU A 9 -7.211 -8.814 -6.388 1.00 0.00 O ATOM 109 CB LEU A 9 -9.165 -10.786 -5.854 1.00 0.00 C ATOM 110 CG LEU A 9 -9.861 -12.038 -6.426 1.00 0.00 C ATOM 111 CD1 LEU A 9 -9.020 -13.333 -6.450 1.00 0.00 C ATOM 112 CD2 LEU A 9 -11.223 -12.213 -5.757 1.00 0.00 C ATOM 0 H LEU A 9 -9.107 -10.121 -8.155 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.493 -8.999 -5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.102 -10.891 -6.070 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.277 -10.832 -4.771 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.001 -11.848 -7.490 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.613 -14.144 -6.872 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.130 -13.178 -7.061 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.722 -13.592 -5.434 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.716 -13.098 -6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.088 -12.332 -4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.839 -11.335 -5.950 1.00 0.00 H new ATOM 124 N LEU A 10 -8.452 -7.656 -4.921 1.00 0.00 N ATOM 125 CA LEU A 10 -7.436 -6.658 -4.533 1.00 0.00 C ATOM 126 C LEU A 10 -6.683 -7.131 -3.293 1.00 0.00 C ATOM 127 O LEU A 10 -7.221 -7.889 -2.507 1.00 0.00 O ATOM 128 CB LEU A 10 -8.138 -5.320 -4.209 1.00 0.00 C ATOM 129 CG LEU A 10 -8.412 -4.419 -5.430 1.00 0.00 C ATOM 130 CD1 LEU A 10 -7.113 -3.867 -6.041 1.00 0.00 C ATOM 131 CD2 LEU A 10 -9.246 -5.110 -6.511 1.00 0.00 C ATOM 0 H LEU A 10 -9.305 -7.584 -4.366 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.733 -6.528 -5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.085 -5.534 -3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.524 -4.767 -3.498 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.000 -3.585 -5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.353 -3.238 -6.898 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.582 -3.276 -5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.482 -4.695 -6.364 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.404 -4.424 -7.343 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.719 -5.996 -6.866 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.210 -5.404 -6.095 1.00 0.00 H new ATOM 143 N TYR A 11 -5.434 -6.724 -3.114 1.00 0.00 N ATOM 144 CA TYR A 11 -4.493 -7.271 -2.126 1.00 0.00 C ATOM 145 C TYR A 11 -3.451 -6.180 -1.903 1.00 0.00 C ATOM 146 O TYR A 11 -2.356 -6.198 -2.459 1.00 0.00 O ATOM 147 CB TYR A 11 -3.840 -8.576 -2.624 1.00 0.00 C ATOM 148 CG TYR A 11 -4.804 -9.649 -3.039 1.00 0.00 C ATOM 149 CD1 TYR A 11 -5.693 -10.118 -2.072 1.00 0.00 C ATOM 150 CD2 TYR A 11 -4.924 -10.059 -4.383 1.00 0.00 C ATOM 151 CE1 TYR A 11 -6.705 -11.020 -2.390 1.00 0.00 C ATOM 152 CE2 TYR A 11 -5.933 -10.995 -4.720 1.00 0.00 C ATOM 153 CZ TYR A 11 -6.812 -11.518 -3.695 1.00 0.00 C ATOM 154 OH TYR A 11 -7.669 -12.569 -3.815 1.00 0.00 O ATOM 0 H TYR A 11 -5.025 -5.974 -3.672 1.00 0.00 H new ATOM 0 HA TYR A 11 -5.003 -7.534 -1.199 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -3.194 -8.342 -3.470 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.200 -8.969 -1.834 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -5.594 -9.774 -1.053 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -4.260 -9.668 -5.140 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -7.406 -11.335 -1.632 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -6.047 -11.319 -5.744 1.00 0.00 H new ATOM 0 HH TYR A 11 -8.523 -12.345 -3.389 1.00 0.00 H new ATOM 164 N ASN A 12 -3.812 -5.126 -1.177 1.00 0.00 N ATOM 165 CA ASN A 12 -2.814 -4.069 -0.909 1.00 0.00 C ATOM 166 C ASN A 12 -1.547 -4.722 -0.370 1.00 0.00 C ATOM 167 O ASN A 12 -1.666 -5.468 0.595 1.00 0.00 O ATOM 168 CB ASN A 12 -3.385 -3.085 0.109 1.00 0.00 C ATOM 169 CG ASN A 12 -3.043 -1.664 -0.163 1.00 0.00 C ATOM 170 OD1 ASN A 12 -3.918 -0.889 -0.434 1.00 0.00 O ATOM 171 ND2 ASN A 12 -1.802 -1.286 -0.113 1.00 0.00 N ATOM 0 H ASN A 12 -4.738 -4.973 -0.776 1.00 0.00 H new ATOM 0 HA ASN A 12 -2.577 -3.525 -1.823 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -4.470 -3.189 0.130 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.020 -3.352 1.101 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -1.556 -0.315 -0.306 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -1.073 -1.960 0.119 1.00 0.00 H new ATOM 178 N GLN A 13 -0.366 -4.439 -0.949 1.00 0.00 N ATOM 179 CA GLN A 13 0.898 -5.019 -0.434 1.00 0.00 C ATOM 180 C GLN A 13 0.977 -4.946 1.074 1.00 0.00 C ATOM 181 O GLN A 13 1.122 -5.988 1.683 1.00 0.00 O ATOM 182 CB GLN A 13 2.121 -4.289 -0.979 1.00 0.00 C ATOM 183 CG GLN A 13 3.503 -4.746 -0.358 1.00 0.00 C ATOM 184 CD GLN A 13 4.343 -5.469 -1.365 1.00 0.00 C ATOM 185 OE1 GLN A 13 5.480 -5.208 -1.689 1.00 0.00 O ATOM 186 NE2 GLN A 13 3.735 -6.423 -1.974 1.00 0.00 N ATOM 0 H GLN A 13 -0.255 -3.826 -1.757 1.00 0.00 H new ATOM 0 HA GLN A 13 0.896 -6.057 -0.765 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.160 -4.432 -2.059 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.996 -3.221 -0.803 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.044 -3.874 0.010 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.322 -5.394 0.499 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.777 -6.662 -1.719 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.211 -6.942 -2.712 1.00 0.00 H new ATOM 195 N ASN A 14 0.820 -3.751 1.654 1.00 0.00 N ATOM 196 CA ASN A 14 0.796 -3.574 3.120 1.00 0.00 C ATOM 197 C ASN A 14 -0.134 -4.563 3.810 1.00 0.00 C ATOM 198 O ASN A 14 0.293 -5.303 4.656 1.00 0.00 O ATOM 199 CB ASN A 14 0.350 -2.149 3.455 1.00 0.00 C ATOM 200 CG ASN A 14 1.013 -1.634 4.700 1.00 0.00 C ATOM 201 OD1 ASN A 14 1.158 -2.273 5.717 1.00 0.00 O ATOM 202 ND2 ASN A 14 1.307 -0.379 4.684 1.00 0.00 N ATOM 0 H ASN A 14 0.706 -2.883 1.131 1.00 0.00 H new ATOM 0 HA ASN A 14 1.806 -3.759 3.486 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.584 -1.489 2.619 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.732 -2.128 3.584 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.661 0.073 5.527 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.186 0.162 3.828 1.00 0.00 H new ATOM 209 N LYS A 15 -1.386 -4.688 3.377 1.00 0.00 N ATOM 210 CA LYS A 15 -2.302 -5.766 3.833 1.00 0.00 C ATOM 211 C LYS A 15 -1.873 -7.200 3.587 1.00 0.00 C ATOM 212 O LYS A 15 -2.185 -7.971 4.465 1.00 0.00 O ATOM 213 CB LYS A 15 -3.673 -5.603 3.188 1.00 0.00 C ATOM 214 CG LYS A 15 -4.744 -5.363 4.257 1.00 0.00 C ATOM 215 CD LYS A 15 -5.778 -4.383 3.706 1.00 0.00 C ATOM 216 CE LYS A 15 -5.199 -2.969 3.576 1.00 0.00 C ATOM 217 NZ LYS A 15 -5.645 -2.317 2.316 1.00 0.00 N ATOM 0 H LYS A 15 -1.808 -4.052 2.700 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.301 -5.629 4.914 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.655 -4.767 2.489 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.919 -6.495 2.612 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.223 -6.304 4.529 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.290 -4.962 5.163 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.123 -4.727 2.731 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.647 -4.362 4.363 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.510 -2.367 4.430 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.110 -3.016 3.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.859 -1.770 1.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.946 -3.044 1.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.442 -1.680 2.518 1.00 0.00 H new ATOM 231 N ALA A 16 -1.202 -7.550 2.488 1.00 0.00 N ATOM 232 CA ALA A 16 -0.541 -8.838 2.212 1.00 0.00 C ATOM 233 C ALA A 16 0.624 -9.201 3.154 1.00 0.00 C ATOM 234 O ALA A 16 0.512 -10.110 3.976 1.00 0.00 O ATOM 235 CB ALA A 16 -0.088 -8.841 0.765 1.00 0.00 C ATOM 0 H ALA A 16 -1.096 -6.899 1.710 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.281 -9.615 2.402 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.404 -9.787 0.540 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.953 -8.718 0.113 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.610 -8.020 0.601 1.00 0.00 H new ATOM 241 N GLU A 17 1.741 -8.469 3.079 1.00 0.00 N ATOM 242 CA GLU A 17 2.825 -8.541 4.096 1.00 0.00 C ATOM 243 C GLU A 17 2.243 -8.437 5.525 1.00 0.00 C ATOM 244 O GLU A 17 2.633 -9.243 6.358 1.00 0.00 O ATOM 245 CB GLU A 17 3.996 -7.549 3.859 1.00 0.00 C ATOM 246 CG GLU A 17 3.519 -6.143 3.569 1.00 0.00 C ATOM 247 CD GLU A 17 4.438 -4.995 3.947 1.00 0.00 C ATOM 248 OE1 GLU A 17 5.276 -4.634 3.097 1.00 0.00 O ATOM 249 OE2 GLU A 17 4.180 -4.405 5.019 1.00 0.00 O ATOM 0 H GLU A 17 1.930 -7.811 2.322 1.00 0.00 H new ATOM 0 HA GLU A 17 3.282 -9.524 3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.640 -7.536 4.739 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.603 -7.902 3.025 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.315 -6.072 2.501 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.570 -5.997 4.085 1.00 0.00 H new ATOM 256 N SER A 18 1.268 -7.556 5.810 1.00 0.00 N ATOM 257 CA SER A 18 0.619 -7.342 7.138 1.00 0.00 C ATOM 258 C SER A 18 -0.146 -8.582 7.559 1.00 0.00 C ATOM 259 O SER A 18 0.133 -9.092 8.641 1.00 0.00 O ATOM 260 CB SER A 18 -0.333 -6.141 7.174 1.00 0.00 C ATOM 261 OG SER A 18 -1.052 -5.855 8.341 1.00 0.00 O ATOM 0 H SER A 18 0.885 -6.939 5.094 1.00 0.00 H new ATOM 0 HA SER A 18 1.434 -7.133 7.831 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.253 -5.255 6.928 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.058 -6.277 6.371 1.00 0.00 H new ATOM 0 HG SER A 18 -0.985 -6.612 8.960 1.00 0.00 H new ATOM 267 N ASN A 19 -1.050 -9.112 6.717 1.00 0.00 N ATOM 268 CA ASN A 19 -1.737 -10.392 6.968 1.00 0.00 C ATOM 269 C ASN A 19 -0.753 -11.466 7.450 1.00 0.00 C ATOM 270 O ASN A 19 -0.878 -11.971 8.564 1.00 0.00 O ATOM 271 CB ASN A 19 -2.620 -10.757 5.756 1.00 0.00 C ATOM 272 CG ASN A 19 -3.800 -11.610 6.110 1.00 0.00 C ATOM 273 OD1 ASN A 19 -4.061 -12.610 5.489 1.00 0.00 O ATOM 274 ND2 ASN A 19 -4.551 -11.248 7.113 1.00 0.00 N ATOM 0 H ASN A 19 -1.325 -8.665 5.842 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.433 -10.303 7.802 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -2.973 -9.840 5.285 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.012 -11.280 5.018 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.361 -11.811 7.373 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.329 -10.402 7.637 1.00 0.00 H new ATOM 281 N SER A 20 0.354 -11.606 6.731 1.00 0.00 N ATOM 282 CA SER A 20 1.491 -12.468 7.100 1.00 0.00 C ATOM 283 C SER A 20 2.327 -12.078 8.329 1.00 0.00 C ATOM 284 O SER A 20 2.863 -12.945 9.006 1.00 0.00 O ATOM 285 CB SER A 20 2.438 -12.595 5.912 1.00 0.00 C ATOM 286 OG SER A 20 3.502 -11.671 5.858 1.00 0.00 O ATOM 0 H SER A 20 0.498 -11.113 5.850 1.00 0.00 H new ATOM 0 HA SER A 20 1.005 -13.401 7.384 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.858 -13.601 5.916 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.854 -12.497 4.997 1.00 0.00 H new ATOM 0 HG SER A 20 3.179 -10.784 6.123 1.00 0.00 H new ATOM 292 N HIS A 21 2.481 -10.779 8.616 1.00 0.00 N ATOM 293 CA HIS A 21 3.143 -10.188 9.806 1.00 0.00 C ATOM 294 C HIS A 21 2.469 -10.658 11.086 1.00 0.00 C ATOM 295 O HIS A 21 3.208 -10.859 12.045 1.00 0.00 O ATOM 296 CB HIS A 21 3.147 -8.624 9.805 1.00 0.00 C ATOM 297 CG HIS A 21 4.290 -7.971 9.076 1.00 0.00 C ATOM 298 ND1 HIS A 21 4.693 -6.656 9.214 1.00 0.00 N ATOM 299 CD2 HIS A 21 5.029 -8.543 8.083 1.00 0.00 C ATOM 300 CE1 HIS A 21 5.707 -6.448 8.345 1.00 0.00 C ATOM 301 NE2 HIS A 21 5.929 -7.579 7.643 1.00 0.00 N ATOM 0 H HIS A 21 2.126 -10.058 7.987 1.00 0.00 H new ATOM 0 HA HIS A 21 4.177 -10.530 9.760 1.00 0.00 H new ATOM 0 HB2 HIS A 21 2.213 -8.278 9.362 1.00 0.00 H new ATOM 0 HB3 HIS A 21 3.156 -8.279 10.839 1.00 0.00 H new ATOM 0 HD2 HIS A 21 4.933 -9.552 7.710 1.00 0.00 H new ATOM 0 HE1 HIS A 21 6.253 -5.523 8.231 1.00 0.00 H new ATOM 0 HE2 HIS A 21 6.634 -7.705 6.917 1.00 0.00 H new ATOM 310 N HIS A 22 1.126 -10.757 11.131 1.00 0.00 N ATOM 311 CA HIS A 22 0.356 -11.262 12.262 1.00 0.00 C ATOM 312 C HIS A 22 0.333 -12.773 12.291 1.00 0.00 C ATOM 313 O HIS A 22 0.503 -13.332 13.366 1.00 0.00 O ATOM 314 CB HIS A 22 -1.112 -10.797 12.253 1.00 0.00 C ATOM 315 CG HIS A 22 -1.508 -9.670 11.388 1.00 0.00 C ATOM 316 ND1 HIS A 22 -2.587 -9.687 10.556 1.00 0.00 N ATOM 317 CD2 HIS A 22 -0.916 -8.456 11.329 1.00 0.00 C ATOM 318 CE1 HIS A 22 -2.656 -8.491 9.957 1.00 0.00 C ATOM 319 NE2 HIS A 22 -1.640 -7.730 10.404 1.00 0.00 N ATOM 0 H HIS A 22 0.536 -10.475 10.348 1.00 0.00 H new ATOM 0 HA HIS A 22 0.863 -10.858 13.138 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -1.725 -11.654 11.975 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.378 -10.533 13.277 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -3.226 -10.469 10.415 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -0.055 -8.123 11.889 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -3.401 -8.188 9.237 1.00 0.00 H new ATOM 328 N ALA A 23 0.104 -13.386 11.123 1.00 0.00 N ATOM 329 CA ALA A 23 0.096 -14.822 10.936 1.00 0.00 C ATOM 330 C ALA A 23 1.321 -15.519 11.586 1.00 0.00 C ATOM 331 O ALA A 23 2.464 -15.164 11.277 1.00 0.00 O ATOM 332 CB ALA A 23 0.083 -15.145 9.448 1.00 0.00 C ATOM 0 H ALA A 23 -0.085 -12.871 10.263 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.802 -15.199 11.426 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.077 -16.226 9.310 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.808 -14.716 8.990 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.971 -14.724 8.977 1.00 0.00 H new ATOM 338 N PRO A 24 1.142 -16.530 12.442 1.00 0.00 N ATOM 339 CA PRO A 24 2.252 -17.144 13.121 1.00 0.00 C ATOM 340 C PRO A 24 3.079 -17.887 12.075 1.00 0.00 C ATOM 341 O PRO A 24 2.541 -18.658 11.290 1.00 0.00 O ATOM 342 CB PRO A 24 1.665 -18.087 14.150 1.00 0.00 C ATOM 343 CG PRO A 24 0.250 -18.328 13.660 1.00 0.00 C ATOM 344 CD PRO A 24 -0.081 -17.250 12.659 1.00 0.00 C ATOM 0 HA PRO A 24 2.901 -16.426 13.623 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.231 -19.017 14.209 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.673 -17.646 15.147 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.167 -19.313 13.202 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.452 -18.304 14.493 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -0.452 -17.680 11.729 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.861 -16.590 13.038 1.00 0.00 H new ATOM 352 N LEU A 25 4.383 -17.631 12.065 1.00 0.00 N ATOM 353 CA LEU A 25 5.379 -18.242 11.190 1.00 0.00 C ATOM 354 C LEU A 25 5.544 -19.732 11.447 1.00 0.00 C ATOM 355 O LEU A 25 6.306 -20.156 12.308 1.00 0.00 O ATOM 356 CB LEU A 25 6.716 -17.491 11.339 1.00 0.00 C ATOM 357 CG LEU A 25 7.489 -17.255 10.042 1.00 0.00 C ATOM 358 CD1 LEU A 25 6.552 -16.791 8.950 1.00 0.00 C ATOM 359 CD2 LEU A 25 8.582 -16.227 10.372 1.00 0.00 C ATOM 0 H LEU A 25 4.797 -16.953 12.704 1.00 0.00 H new ATOM 0 HA LEU A 25 5.029 -18.154 10.161 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.520 -16.525 11.805 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.353 -18.052 12.024 1.00 0.00 H new ATOM 0 HG LEU A 25 7.949 -18.168 9.663 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.116 -16.627 8.032 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.790 -17.551 8.777 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.073 -15.860 9.253 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.168 -16.019 9.477 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.120 -15.305 10.725 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.234 -16.626 11.149 1.00 0.00 H new ATOM 371 N SER A 26 4.763 -20.516 10.726 1.00 0.00 N ATOM 372 CA SER A 26 4.610 -21.960 10.894 1.00 0.00 C ATOM 373 C SER A 26 3.507 -22.451 9.955 1.00 0.00 C ATOM 374 O SER A 26 2.643 -21.680 9.554 1.00 0.00 O ATOM 375 CB SER A 26 4.130 -22.334 12.306 1.00 0.00 C ATOM 376 OG SER A 26 5.075 -23.101 13.018 1.00 0.00 O ATOM 0 H SER A 26 4.187 -20.150 9.968 1.00 0.00 H new ATOM 0 HA SER A 26 5.585 -22.405 10.695 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.913 -21.423 12.864 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.197 -22.893 12.232 1.00 0.00 H new ATOM 0 HG SER A 26 5.895 -22.578 13.140 1.00 0.00 H new ATOM 382 N ASP A 27 3.496 -23.759 9.710 1.00 0.00 N ATOM 383 CA ASP A 27 2.586 -24.520 8.847 1.00 0.00 C ATOM 384 C ASP A 27 1.621 -25.261 9.715 1.00 0.00 C ATOM 385 O ASP A 27 2.062 -26.036 10.555 1.00 0.00 O ATOM 386 CB ASP A 27 3.343 -25.487 7.925 1.00 0.00 C ATOM 387 CG ASP A 27 2.543 -26.639 7.298 1.00 0.00 C ATOM 388 OD1 ASP A 27 1.473 -26.340 6.732 1.00 0.00 O ATOM 389 OD2 ASP A 27 3.105 -27.757 7.185 1.00 0.00 O ATOM 0 H ASP A 27 4.184 -24.371 10.148 1.00 0.00 H new ATOM 0 HA ASP A 27 2.052 -23.827 8.197 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.785 -24.905 7.116 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.166 -25.919 8.494 1.00 0.00 H new ATOM 394 N GLY A 28 0.333 -24.969 9.561 1.00 0.00 N ATOM 395 CA GLY A 28 -0.684 -25.772 10.256 1.00 0.00 C ATOM 396 C GLY A 28 -0.466 -25.790 11.771 1.00 0.00 C ATOM 397 O GLY A 28 -0.505 -26.822 12.428 1.00 0.00 O ATOM 0 H GLY A 28 -0.029 -24.210 8.983 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.674 -25.371 10.037 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.662 -26.793 9.875 1.00 0.00 H new ATOM 401 N LYS A 29 -0.296 -24.595 12.331 1.00 0.00 N ATOM 402 CA LYS A 29 -0.149 -24.340 13.790 1.00 0.00 C ATOM 403 C LYS A 29 -1.321 -23.594 14.419 1.00 0.00 C ATOM 404 O LYS A 29 -1.381 -23.388 15.627 1.00 0.00 O ATOM 405 CB LYS A 29 1.254 -23.767 14.031 1.00 0.00 C ATOM 406 CG LYS A 29 1.503 -23.170 15.426 1.00 0.00 C ATOM 407 CD LYS A 29 2.959 -23.038 15.843 1.00 0.00 C ATOM 408 CE LYS A 29 3.226 -24.118 16.896 1.00 0.00 C ATOM 409 NZ LYS A 29 4.595 -24.673 16.755 1.00 0.00 N ATOM 0 H LYS A 29 -0.253 -23.740 11.777 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.213 -25.275 14.346 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.983 -24.559 13.860 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.443 -22.993 13.287 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.044 -22.182 15.464 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.989 -23.789 16.162 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.619 -23.166 14.985 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.155 -22.046 16.250 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.102 -23.697 17.894 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.493 -24.919 16.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.750 -25.402 17.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.703 -25.095 15.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.293 -23.911 16.875 1.00 0.00 H new ATOM 423 N THR A 30 -2.273 -23.206 13.596 1.00 0.00 N ATOM 424 CA THR A 30 -3.364 -22.325 13.977 1.00 0.00 C ATOM 425 C THR A 30 -4.640 -23.133 13.886 1.00 0.00 C ATOM 426 O THR A 30 -4.689 -24.144 13.185 1.00 0.00 O ATOM 427 CB THR A 30 -3.367 -21.151 13.013 1.00 0.00 C ATOM 428 OG1 THR A 30 -3.885 -21.441 11.749 1.00 0.00 O ATOM 429 CG2 THR A 30 -1.994 -20.530 12.800 1.00 0.00 C ATOM 0 H THR A 30 -2.313 -23.500 12.620 1.00 0.00 H new ATOM 0 HA THR A 30 -3.264 -21.936 14.990 1.00 0.00 H new ATOM 0 HB THR A 30 -4.025 -20.445 13.519 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.303 -21.055 11.061 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.075 -19.698 12.100 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.607 -20.166 13.752 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.314 -21.280 12.395 1.00 0.00 H new ATOM 437 N GLY A 31 -5.677 -22.692 14.590 1.00 0.00 N ATOM 438 CA GLY A 31 -6.983 -23.358 14.645 1.00 0.00 C ATOM 439 C GLY A 31 -7.532 -23.800 13.309 1.00 0.00 C ATOM 440 O GLY A 31 -7.947 -24.945 13.143 1.00 0.00 O ATOM 0 H GLY A 31 -5.637 -21.842 15.153 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.902 -24.230 15.294 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.700 -22.681 15.109 1.00 0.00 H new ATOM 444 N SER A 32 -7.631 -22.853 12.387 1.00 0.00 N ATOM 445 CA SER A 32 -7.846 -23.213 10.980 1.00 0.00 C ATOM 446 C SER A 32 -6.772 -24.135 10.395 1.00 0.00 C ATOM 447 O SER A 32 -7.111 -25.238 9.984 1.00 0.00 O ATOM 448 CB SER A 32 -7.997 -22.005 10.076 1.00 0.00 C ATOM 449 OG SER A 32 -8.070 -22.522 8.774 1.00 0.00 O ATOM 0 H SER A 32 -7.569 -21.852 12.573 1.00 0.00 H new ATOM 0 HA SER A 32 -8.785 -23.765 11.005 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.894 -21.438 10.325 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.151 -21.326 10.182 1.00 0.00 H new ATOM 0 HG SER A 32 -8.425 -21.837 8.170 1.00 0.00 H new ATOM 455 N SER A 33 -5.559 -23.613 10.160 1.00 0.00 N ATOM 456 CA SER A 33 -4.341 -24.200 9.548 1.00 0.00 C ATOM 457 C SER A 33 -3.387 -23.114 9.092 1.00 0.00 C ATOM 458 O SER A 33 -2.202 -23.162 9.383 1.00 0.00 O ATOM 459 CB SER A 33 -4.606 -25.092 8.314 1.00 0.00 C ATOM 460 OG SER A 33 -4.766 -26.416 8.710 1.00 0.00 O ATOM 0 H SER A 33 -5.379 -22.645 10.426 1.00 0.00 H new ATOM 0 HA SER A 33 -3.922 -24.818 10.342 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.500 -24.749 7.792 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.776 -25.011 7.612 1.00 0.00 H new ATOM 0 HG SER A 33 -5.583 -26.501 9.245 1.00 0.00 H new ATOM 466 N TYR A 34 -3.913 -22.158 8.328 1.00 0.00 N ATOM 467 CA TYR A 34 -3.109 -21.110 7.701 1.00 0.00 C ATOM 468 C TYR A 34 -2.280 -20.275 8.739 1.00 0.00 C ATOM 469 O TYR A 34 -2.788 -19.941 9.812 1.00 0.00 O ATOM 470 CB TYR A 34 -4.006 -20.193 6.880 1.00 0.00 C ATOM 471 CG TYR A 34 -4.621 -20.869 5.680 1.00 0.00 C ATOM 472 CD1 TYR A 34 -5.818 -21.615 5.789 1.00 0.00 C ATOM 473 CD2 TYR A 34 -3.979 -20.751 4.434 1.00 0.00 C ATOM 474 CE1 TYR A 34 -6.308 -22.353 4.693 1.00 0.00 C ATOM 475 CE2 TYR A 34 -4.603 -21.284 3.311 1.00 0.00 C ATOM 476 CZ TYR A 34 -5.656 -22.209 3.436 1.00 0.00 C ATOM 477 OH TYR A 34 -5.844 -23.036 2.373 1.00 0.00 O ATOM 0 H TYR A 34 -4.910 -22.088 8.126 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.388 -21.603 7.050 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.802 -19.810 7.519 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -3.425 -19.334 6.545 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.362 -21.619 6.722 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.022 -20.257 4.351 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.157 -23.011 4.804 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.274 -20.983 2.327 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.648 -23.578 2.518 1.00 0.00 H new ATOM 487 N PRO A 35 -1.085 -19.770 8.398 1.00 0.00 N ATOM 488 CA PRO A 35 -0.389 -20.044 7.181 1.00 0.00 C ATOM 489 C PRO A 35 0.000 -21.503 7.220 1.00 0.00 C ATOM 490 O PRO A 35 0.163 -22.144 8.244 1.00 0.00 O ATOM 491 CB PRO A 35 0.753 -19.051 7.073 1.00 0.00 C ATOM 492 CG PRO A 35 0.950 -18.537 8.495 1.00 0.00 C ATOM 493 CD PRO A 35 -0.274 -18.989 9.294 1.00 0.00 C ATOM 0 HA PRO A 35 -0.977 -19.909 6.273 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.658 -19.527 6.694 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.509 -18.239 6.388 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.866 -18.938 8.929 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.041 -17.451 8.506 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.025 -19.580 10.160 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.830 -18.130 9.670 1.00 0.00 H new ATOM 501 N HIS A 36 0.031 -22.069 6.047 1.00 0.00 N ATOM 502 CA HIS A 36 0.493 -23.454 5.865 1.00 0.00 C ATOM 503 C HIS A 36 1.709 -23.409 4.996 1.00 0.00 C ATOM 504 O HIS A 36 1.979 -22.357 4.442 1.00 0.00 O ATOM 505 CB HIS A 36 -0.665 -24.390 5.499 1.00 0.00 C ATOM 506 CG HIS A 36 -1.556 -23.979 4.389 1.00 0.00 C ATOM 507 ND1 HIS A 36 -2.692 -24.648 3.983 1.00 0.00 N ATOM 508 CD2 HIS A 36 -1.282 -22.985 3.520 1.00 0.00 C ATOM 509 CE1 HIS A 36 -3.080 -24.065 2.823 1.00 0.00 C ATOM 510 NE2 HIS A 36 -2.235 -23.057 2.538 1.00 0.00 N ATOM 0 H HIS A 36 -0.256 -21.606 5.185 1.00 0.00 H new ATOM 0 HA HIS A 36 0.831 -23.931 6.785 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.243 -25.363 5.248 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -1.279 -24.528 6.389 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -3.148 -25.425 4.460 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -0.472 -22.273 3.585 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -3.929 -24.361 2.225 1.00 0.00 H new ATOM 519 N TRP A 37 2.449 -24.494 4.904 1.00 0.00 N ATOM 520 CA TRP A 37 3.501 -24.615 3.905 1.00 0.00 C ATOM 521 C TRP A 37 2.952 -24.596 2.478 1.00 0.00 C ATOM 522 O TRP A 37 2.013 -25.305 2.104 1.00 0.00 O ATOM 523 CB TRP A 37 4.291 -25.909 4.102 1.00 0.00 C ATOM 524 CG TRP A 37 5.153 -26.349 2.971 1.00 0.00 C ATOM 525 CD1 TRP A 37 6.014 -25.603 2.235 1.00 0.00 C ATOM 526 CD2 TRP A 37 5.141 -27.659 2.348 1.00 0.00 C ATOM 527 NE1 TRP A 37 6.622 -26.405 1.300 1.00 0.00 N ATOM 528 CE2 TRP A 37 6.122 -27.682 1.313 1.00 0.00 C ATOM 529 CE3 TRP A 37 4.371 -28.829 2.524 1.00 0.00 C ATOM 530 CZ2 TRP A 37 6.317 -28.810 0.504 1.00 0.00 C ATOM 531 CZ3 TRP A 37 4.573 -29.993 1.749 1.00 0.00 C ATOM 532 CH2 TRP A 37 5.527 -29.950 0.717 1.00 0.00 C ATOM 0 H TRP A 37 2.344 -25.309 5.508 1.00 0.00 H new ATOM 0 HA TRP A 37 4.151 -23.751 4.041 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.921 -25.791 4.983 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.583 -26.709 4.321 1.00 0.00 H new ATOM 0 HD1 TRP A 37 6.193 -24.546 2.364 1.00 0.00 H new ATOM 0 HE1 TRP A 37 7.359 -26.088 0.670 1.00 0.00 H new ATOM 0 HE3 TRP A 37 3.599 -28.835 3.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 7.066 -28.802 -0.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 4.009 -30.893 1.944 1.00 0.00 H new ATOM 0 HH2 TRP A 37 5.654 -30.810 0.076 1.00 0.00 H new ATOM 543 N PHE A 38 3.641 -23.774 1.690 1.00 0.00 N ATOM 544 CA PHE A 38 3.441 -23.474 0.297 1.00 0.00 C ATOM 545 C PHE A 38 4.461 -24.361 -0.393 1.00 0.00 C ATOM 546 O PHE A 38 5.636 -24.038 -0.619 1.00 0.00 O ATOM 547 CB PHE A 38 3.647 -21.984 0.000 1.00 0.00 C ATOM 548 CG PHE A 38 3.234 -21.655 -1.405 1.00 0.00 C ATOM 549 CD1 PHE A 38 1.978 -22.080 -1.911 1.00 0.00 C ATOM 550 CD2 PHE A 38 4.142 -20.965 -2.234 1.00 0.00 C ATOM 551 CE1 PHE A 38 1.605 -21.791 -3.225 1.00 0.00 C ATOM 552 CE2 PHE A 38 3.750 -20.644 -3.542 1.00 0.00 C ATOM 553 CZ PHE A 38 2.504 -21.063 -4.025 1.00 0.00 C ATOM 0 H PHE A 38 4.434 -23.253 2.063 1.00 0.00 H new ATOM 0 HA PHE A 38 2.425 -23.666 -0.047 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.068 -21.386 0.703 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.695 -21.722 0.146 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.304 -22.633 -1.273 1.00 0.00 H new ATOM 0 HD2 PHE A 38 5.120 -20.689 -1.869 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.653 -22.117 -3.616 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.410 -20.073 -4.178 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.226 -20.820 -5.040 1.00 0.00 H new ATOM 563 N THR A 39 3.947 -25.550 -0.687 1.00 0.00 N ATOM 564 CA THR A 39 4.494 -26.478 -1.675 1.00 0.00 C ATOM 565 C THR A 39 4.994 -25.729 -2.877 1.00 0.00 C ATOM 566 O THR A 39 6.062 -26.074 -3.335 1.00 0.00 O ATOM 567 CB THR A 39 3.483 -27.543 -2.134 1.00 0.00 C ATOM 568 OG1 THR A 39 2.321 -27.049 -2.747 1.00 0.00 O ATOM 569 CG2 THR A 39 3.180 -28.533 -1.006 1.00 0.00 C ATOM 0 H THR A 39 3.109 -25.908 -0.229 1.00 0.00 H new ATOM 0 HA THR A 39 5.314 -26.996 -1.179 1.00 0.00 H new ATOM 0 HB THR A 39 3.981 -28.080 -2.942 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.743 -27.798 -3.004 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.463 -29.275 -1.356 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.100 -29.032 -0.703 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.761 -27.997 -0.154 1.00 0.00 H new ATOM 577 N ASN A 40 4.292 -24.701 -3.384 1.00 0.00 N ATOM 578 CA ASN A 40 4.788 -23.922 -4.552 1.00 0.00 C ATOM 579 C ASN A 40 5.043 -24.821 -5.785 1.00 0.00 C ATOM 580 O ASN A 40 5.920 -24.588 -6.597 1.00 0.00 O ATOM 581 CB ASN A 40 6.016 -23.080 -4.091 1.00 0.00 C ATOM 582 CG ASN A 40 6.485 -22.116 -5.157 1.00 0.00 C ATOM 583 OD1 ASN A 40 5.665 -21.573 -5.866 1.00 0.00 O ATOM 584 ND2 ASN A 40 7.755 -21.846 -5.337 1.00 0.00 N ATOM 0 H ASN A 40 3.394 -24.387 -3.017 1.00 0.00 H new ATOM 0 HA ASN A 40 4.024 -23.227 -4.901 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.755 -22.523 -3.191 1.00 0.00 H new ATOM 0 HB3 ASN A 40 6.834 -23.750 -3.825 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.039 -21.189 -6.064 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.460 -22.293 -4.750 1.00 0.00 H new ATOM 591 N GLY A 41 4.356 -25.954 -5.855 1.00 0.00 N ATOM 592 CA GLY A 41 4.733 -27.030 -6.750 1.00 0.00 C ATOM 593 C GLY A 41 5.623 -28.157 -6.187 1.00 0.00 C ATOM 594 O GLY A 41 5.342 -29.266 -6.616 1.00 0.00 O ATOM 0 H GLY A 41 3.526 -26.148 -5.294 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.818 -27.484 -7.131 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.250 -26.590 -7.603 1.00 0.00 H new ATOM 598 N TYR A 42 6.646 -27.922 -5.328 1.00 0.00 N ATOM 599 CA TYR A 42 7.529 -28.882 -4.589 1.00 0.00 C ATOM 600 C TYR A 42 6.728 -30.009 -3.956 1.00 0.00 C ATOM 601 O TYR A 42 5.624 -29.798 -3.464 1.00 0.00 O ATOM 602 CB TYR A 42 8.326 -28.192 -3.440 1.00 0.00 C ATOM 603 CG TYR A 42 9.223 -27.098 -3.964 1.00 0.00 C ATOM 604 CD1 TYR A 42 10.366 -27.535 -4.649 1.00 0.00 C ATOM 605 CD2 TYR A 42 9.013 -25.714 -3.731 1.00 0.00 C ATOM 606 CE1 TYR A 42 11.323 -26.601 -5.118 1.00 0.00 C ATOM 607 CE2 TYR A 42 9.940 -24.784 -4.247 1.00 0.00 C ATOM 608 CZ TYR A 42 11.086 -25.212 -4.957 1.00 0.00 C ATOM 609 OH TYR A 42 11.949 -24.273 -5.380 1.00 0.00 O ATOM 0 H TYR A 42 6.906 -26.961 -5.108 1.00 0.00 H new ATOM 0 HA TYR A 42 8.217 -29.271 -5.340 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.629 -27.775 -2.713 1.00 0.00 H new ATOM 0 HB3 TYR A 42 8.926 -28.935 -2.916 1.00 0.00 H new ATOM 0 HD1 TYR A 42 10.518 -28.590 -4.820 1.00 0.00 H new ATOM 0 HD2 TYR A 42 8.156 -25.377 -3.167 1.00 0.00 H new ATOM 0 HE1 TYR A 42 12.228 -26.945 -5.596 1.00 0.00 H new ATOM 0 HE2 TYR A 42 9.772 -23.728 -4.097 1.00 0.00 H new ATOM 0 HH TYR A 42 11.593 -23.384 -5.172 1.00 0.00 H new ATOM 619 N ASP A 43 7.348 -31.178 -3.858 1.00 0.00 N ATOM 620 CA ASP A 43 6.700 -32.344 -3.208 1.00 0.00 C ATOM 621 C ASP A 43 6.818 -32.393 -1.684 1.00 0.00 C ATOM 622 O ASP A 43 5.943 -32.909 -0.997 1.00 0.00 O ATOM 623 CB ASP A 43 7.328 -33.625 -3.757 1.00 0.00 C ATOM 624 CG ASP A 43 6.350 -34.587 -4.413 1.00 0.00 C ATOM 625 OD1 ASP A 43 5.114 -34.407 -4.317 1.00 0.00 O ATOM 626 OD2 ASP A 43 6.899 -35.528 -5.022 1.00 0.00 O ATOM 0 H ASP A 43 8.288 -31.358 -4.211 1.00 0.00 H new ATOM 0 HA ASP A 43 5.639 -32.247 -3.437 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.093 -33.354 -4.485 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.833 -34.143 -2.942 1.00 0.00 H new ATOM 631 N GLY A 44 7.932 -31.886 -1.166 1.00 0.00 N ATOM 632 CA GLY A 44 8.302 -31.882 0.253 1.00 0.00 C ATOM 633 C GLY A 44 9.507 -30.983 0.523 1.00 0.00 C ATOM 634 O GLY A 44 9.343 -29.830 0.916 1.00 0.00 O ATOM 0 H GLY A 44 8.640 -31.443 -1.751 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.455 -31.542 0.849 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.529 -32.899 0.572 1.00 0.00 H new ATOM 638 N ASP A 45 10.708 -31.505 0.281 1.00 0.00 N ATOM 639 CA ASP A 45 12.028 -30.861 0.491 1.00 0.00 C ATOM 640 C ASP A 45 12.748 -30.466 -0.803 1.00 0.00 C ATOM 641 O ASP A 45 13.064 -29.314 -1.087 1.00 0.00 O ATOM 642 CB ASP A 45 12.942 -31.863 1.237 1.00 0.00 C ATOM 643 CG ASP A 45 13.199 -31.491 2.672 1.00 0.00 C ATOM 644 OD1 ASP A 45 12.242 -31.012 3.320 1.00 0.00 O ATOM 645 OD2 ASP A 45 14.364 -31.609 3.101 1.00 0.00 O ATOM 0 H ASP A 45 10.805 -32.450 -0.091 1.00 0.00 H new ATOM 0 HA ASP A 45 11.838 -29.945 1.051 1.00 0.00 H new ATOM 0 HB2 ASP A 45 12.486 -32.852 1.203 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.895 -31.933 0.712 1.00 0.00 H new ATOM 650 N GLY A 46 13.081 -31.487 -1.582 1.00 0.00 N ATOM 651 CA GLY A 46 13.714 -31.350 -2.885 1.00 0.00 C ATOM 652 C GLY A 46 12.853 -30.562 -3.855 1.00 0.00 C ATOM 653 O GLY A 46 11.812 -30.022 -3.510 1.00 0.00 O ATOM 0 H GLY A 46 12.914 -32.458 -1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.677 -30.854 -2.770 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.913 -32.339 -3.297 1.00 0.00 H new ATOM 657 N LYS A 47 13.268 -30.539 -5.115 1.00 0.00 N ATOM 658 CA LYS A 47 12.414 -29.988 -6.185 1.00 0.00 C ATOM 659 C LYS A 47 11.028 -30.659 -6.331 1.00 0.00 C ATOM 660 O LYS A 47 10.598 -31.533 -5.582 1.00 0.00 O ATOM 661 CB LYS A 47 13.195 -29.921 -7.480 1.00 0.00 C ATOM 662 CG LYS A 47 13.274 -31.326 -8.090 1.00 0.00 C ATOM 663 CD LYS A 47 14.645 -31.626 -8.693 1.00 0.00 C ATOM 664 CE LYS A 47 15.401 -32.606 -7.781 1.00 0.00 C ATOM 665 NZ LYS A 47 15.574 -33.927 -8.439 1.00 0.00 N ATOM 0 H LYS A 47 14.174 -30.887 -5.428 1.00 0.00 H new ATOM 0 HA LYS A 47 12.150 -28.974 -5.886 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.712 -29.235 -8.176 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.197 -29.534 -7.295 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.049 -32.065 -7.321 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.511 -31.427 -8.862 1.00 0.00 H new ATOM 0 HD2 LYS A 47 14.531 -32.054 -9.689 1.00 0.00 H new ATOM 0 HD3 LYS A 47 15.215 -30.704 -8.806 1.00 0.00 H new ATOM 0 HE2 LYS A 47 16.377 -32.192 -7.528 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.855 -32.731 -6.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.087 -34.568 -7.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.641 -34.330 -8.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 16.115 -33.808 -9.319 1.00 0.00 H new ATOM 679 N LEU A 48 10.321 -30.224 -7.347 1.00 0.00 N ATOM 680 CA LEU A 48 8.979 -30.731 -7.582 1.00 0.00 C ATOM 681 C LEU A 48 9.033 -32.150 -8.158 1.00 0.00 C ATOM 682 O LEU A 48 10.072 -32.534 -8.709 1.00 0.00 O ATOM 683 CB LEU A 48 8.191 -29.728 -8.408 1.00 0.00 C ATOM 684 CG LEU A 48 8.735 -28.280 -8.356 1.00 0.00 C ATOM 685 CD1 LEU A 48 9.753 -28.112 -9.508 1.00 0.00 C ATOM 686 CD2 LEU A 48 7.582 -27.317 -8.434 1.00 0.00 C ATOM 0 H LEU A 48 10.643 -29.528 -8.020 1.00 0.00 H new ATOM 0 HA LEU A 48 8.434 -30.834 -6.643 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.180 -30.061 -9.446 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.157 -29.726 -8.063 1.00 0.00 H new ATOM 0 HG LEU A 48 9.253 -28.070 -7.420 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.153 -27.098 -9.495 1.00 0.00 H new ATOM 0 HD12 LEU A 48 10.567 -28.825 -9.381 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.257 -28.294 -10.461 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.959 -26.295 -8.398 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.041 -27.472 -9.368 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.909 -27.486 -7.593 1.00 0.00 H new ATOM 698 N PRO A 49 7.941 -32.924 -8.062 1.00 0.00 N ATOM 699 CA PRO A 49 7.866 -34.186 -8.740 1.00 0.00 C ATOM 700 C PRO A 49 7.961 -33.976 -10.261 1.00 0.00 C ATOM 701 O PRO A 49 7.801 -32.884 -10.817 1.00 0.00 O ATOM 702 CB PRO A 49 6.531 -34.803 -8.318 1.00 0.00 C ATOM 703 CG PRO A 49 5.661 -33.638 -7.786 1.00 0.00 C ATOM 704 CD PRO A 49 6.646 -32.498 -7.567 1.00 0.00 C ATOM 0 HA PRO A 49 8.689 -34.851 -8.479 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.047 -35.296 -9.161 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.679 -35.560 -7.548 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.887 -33.362 -8.502 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.156 -33.910 -6.859 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.314 -31.601 -8.091 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.707 -32.245 -6.509 1.00 0.00 H new ATOM 712 N LYS A 50 8.138 -35.085 -10.976 1.00 0.00 N ATOM 713 CA LYS A 50 8.057 -35.182 -12.449 1.00 0.00 C ATOM 714 C LYS A 50 6.711 -34.652 -12.981 1.00 0.00 C ATOM 715 O LYS A 50 5.702 -35.335 -12.893 1.00 0.00 O ATOM 716 CB LYS A 50 8.412 -36.599 -12.920 1.00 0.00 C ATOM 717 CG LYS A 50 7.863 -36.954 -14.328 1.00 0.00 C ATOM 718 CD LYS A 50 8.671 -37.957 -15.118 1.00 0.00 C ATOM 719 CE LYS A 50 8.244 -39.368 -14.734 1.00 0.00 C ATOM 720 NZ LYS A 50 9.347 -40.323 -14.989 1.00 0.00 N ATOM 0 H LYS A 50 8.351 -35.981 -10.537 1.00 0.00 H new ATOM 0 HA LYS A 50 8.808 -34.525 -12.889 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.497 -36.707 -12.927 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.024 -37.318 -12.198 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.850 -37.341 -14.215 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.790 -36.036 -14.910 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.523 -37.799 -16.186 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.734 -37.821 -14.920 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.964 -39.397 -13.681 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.363 -39.658 -15.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.044 -41.282 -14.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.595 -40.305 -15.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.177 -40.053 -14.424 1.00 0.00 H new ATOM 734 N GLY A 51 6.722 -33.427 -13.500 1.00 0.00 N ATOM 735 CA GLY A 51 5.504 -32.718 -13.932 1.00 0.00 C ATOM 736 C GLY A 51 4.965 -31.819 -12.837 1.00 0.00 C ATOM 737 O GLY A 51 4.116 -32.240 -12.063 1.00 0.00 O ATOM 0 H GLY A 51 7.577 -32.889 -13.637 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.724 -32.122 -14.818 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.742 -33.443 -14.217 1.00 0.00 H new ATOM 741 N ARG A 52 5.412 -30.562 -12.810 1.00 0.00 N ATOM 742 CA ARG A 52 4.912 -29.472 -11.951 1.00 0.00 C ATOM 743 C ARG A 52 5.436 -28.123 -12.416 1.00 0.00 C ATOM 744 O ARG A 52 6.400 -28.051 -13.167 1.00 0.00 O ATOM 745 CB ARG A 52 5.357 -29.766 -10.509 1.00 0.00 C ATOM 746 CG ARG A 52 4.168 -30.067 -9.583 1.00 0.00 C ATOM 747 CD ARG A 52 3.468 -28.793 -9.137 1.00 0.00 C ATOM 748 NE ARG A 52 2.339 -28.369 -9.992 1.00 0.00 N ATOM 749 CZ ARG A 52 1.577 -27.303 -9.849 1.00 0.00 C ATOM 750 NH1 ARG A 52 1.825 -26.426 -8.940 1.00 0.00 N ATOM 751 NH2 ARG A 52 0.572 -27.098 -10.638 1.00 0.00 N ATOM 0 H ARG A 52 6.172 -30.255 -13.416 1.00 0.00 H new ATOM 0 HA ARG A 52 3.824 -29.424 -12.007 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.040 -30.615 -10.508 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.910 -28.911 -10.120 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.457 -30.711 -10.101 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.517 -30.616 -8.708 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.101 -28.935 -8.120 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.201 -27.987 -9.102 1.00 0.00 H new ATOM 0 HE ARG A 52 2.124 -28.972 -10.786 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.622 -26.550 -8.316 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.224 -25.607 -8.844 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.362 -27.765 -11.381 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.010 -26.269 -10.517 1.00 0.00 H new ATOM 765 N THR A 53 4.805 -27.057 -11.941 1.00 0.00 N ATOM 766 CA THR A 53 5.162 -25.673 -12.319 1.00 0.00 C ATOM 767 C THR A 53 5.203 -24.810 -11.060 1.00 0.00 C ATOM 768 O THR A 53 4.143 -24.508 -10.506 1.00 0.00 O ATOM 769 CB THR A 53 4.269 -25.137 -13.438 1.00 0.00 C ATOM 770 OG1 THR A 53 4.579 -25.903 -14.570 1.00 0.00 O ATOM 771 CG2 THR A 53 4.451 -23.636 -13.743 1.00 0.00 C ATOM 0 H THR A 53 4.029 -27.115 -11.282 1.00 0.00 H new ATOM 0 HA THR A 53 6.161 -25.648 -12.754 1.00 0.00 H new ATOM 0 HB THR A 53 3.227 -25.223 -13.129 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.032 -25.605 -15.327 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.778 -23.344 -14.549 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.222 -23.053 -12.851 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.481 -23.448 -14.045 1.00 0.00 H new ATOM 779 N PRO A 54 6.412 -24.510 -10.537 1.00 0.00 N ATOM 780 CA PRO A 54 6.559 -23.649 -9.405 1.00 0.00 C ATOM 781 C PRO A 54 6.255 -22.224 -9.800 1.00 0.00 C ATOM 782 O PRO A 54 6.634 -21.746 -10.869 1.00 0.00 O ATOM 783 CB PRO A 54 7.987 -23.828 -8.864 1.00 0.00 C ATOM 784 CG PRO A 54 8.792 -24.408 -10.041 1.00 0.00 C ATOM 785 CD PRO A 54 7.724 -24.871 -11.042 1.00 0.00 C ATOM 0 HA PRO A 54 5.854 -23.903 -8.613 1.00 0.00 H new ATOM 0 HB2 PRO A 54 8.404 -22.878 -8.531 1.00 0.00 H new ATOM 0 HB3 PRO A 54 8.002 -24.501 -8.006 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.450 -23.658 -10.480 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.423 -25.237 -9.721 1.00 0.00 H new ATOM 0 HD2 PRO A 54 7.893 -24.408 -12.014 1.00 0.00 H new ATOM 0 HD3 PRO A 54 7.787 -25.949 -11.188 1.00 0.00 H new ATOM 793 N ILE A 55 5.579 -21.536 -8.890 1.00 0.00 N ATOM 794 CA ILE A 55 5.338 -20.109 -9.019 1.00 0.00 C ATOM 795 C ILE A 55 6.729 -19.465 -9.022 1.00 0.00 C ATOM 796 O ILE A 55 7.530 -19.623 -8.101 1.00 0.00 O ATOM 797 CB ILE A 55 4.395 -19.598 -7.918 1.00 0.00 C ATOM 798 CG1 ILE A 55 3.088 -20.469 -7.928 1.00 0.00 C ATOM 799 CG2 ILE A 55 4.127 -18.109 -8.129 1.00 0.00 C ATOM 800 CD1 ILE A 55 1.831 -19.828 -7.345 1.00 0.00 C ATOM 0 H ILE A 55 5.185 -21.951 -8.046 1.00 0.00 H new ATOM 0 HA ILE A 55 4.812 -19.847 -9.937 1.00 0.00 H new ATOM 0 HB ILE A 55 4.847 -19.699 -6.931 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.877 -20.754 -8.959 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.288 -21.388 -7.377 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.458 -17.746 -7.349 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.068 -17.560 -8.085 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.663 -17.957 -9.104 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.000 -20.531 -7.411 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.005 -19.569 -6.301 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.589 -18.926 -7.907 1.00 0.00 H new ATOM 812 N LYS A 56 7.043 -18.778 -10.113 1.00 0.00 N ATOM 813 CA LYS A 56 8.240 -17.928 -10.174 1.00 0.00 C ATOM 814 C LYS A 56 7.934 -16.545 -9.617 1.00 0.00 C ATOM 815 O LYS A 56 6.911 -15.948 -9.926 1.00 0.00 O ATOM 816 CB LYS A 56 8.669 -17.840 -11.628 1.00 0.00 C ATOM 817 CG LYS A 56 9.842 -16.878 -11.887 1.00 0.00 C ATOM 818 CD LYS A 56 9.370 -15.434 -12.191 1.00 0.00 C ATOM 819 CE LYS A 56 10.469 -14.644 -12.882 1.00 0.00 C ATOM 820 NZ LYS A 56 10.019 -14.206 -14.225 1.00 0.00 N ATOM 0 H LYS A 56 6.490 -18.788 -10.970 1.00 0.00 H new ATOM 0 HA LYS A 56 9.043 -18.353 -9.572 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.948 -18.836 -11.973 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.816 -17.523 -12.228 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.497 -16.867 -11.016 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.432 -17.248 -12.725 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.483 -15.462 -12.823 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.085 -14.936 -11.264 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.737 -13.776 -12.279 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.365 -15.257 -12.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.779 -13.667 -14.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.785 -15.039 -14.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.176 -13.604 -14.130 1.00 0.00 H new ATOM 834 N PHE A 57 8.909 -15.964 -8.937 1.00 0.00 N ATOM 835 CA PHE A 57 8.862 -14.623 -8.308 1.00 0.00 C ATOM 836 C PHE A 57 10.015 -13.742 -8.803 1.00 0.00 C ATOM 837 O PHE A 57 9.799 -12.655 -9.327 1.00 0.00 O ATOM 838 CB PHE A 57 8.871 -14.817 -6.803 1.00 0.00 C ATOM 839 CG PHE A 57 8.020 -15.956 -6.310 1.00 0.00 C ATOM 840 CD1 PHE A 57 6.648 -15.736 -6.093 1.00 0.00 C ATOM 841 CD2 PHE A 57 8.611 -17.212 -6.036 1.00 0.00 C ATOM 842 CE1 PHE A 57 5.877 -16.745 -5.480 1.00 0.00 C ATOM 843 CE2 PHE A 57 7.833 -18.236 -5.484 1.00 0.00 C ATOM 844 CZ PHE A 57 6.470 -18.003 -5.246 1.00 0.00 C ATOM 0 H PHE A 57 9.807 -16.426 -8.793 1.00 0.00 H new ATOM 0 HA PHE A 57 7.951 -14.095 -8.590 1.00 0.00 H new ATOM 0 HB2 PHE A 57 9.898 -14.982 -6.478 1.00 0.00 H new ATOM 0 HB3 PHE A 57 8.531 -13.896 -6.330 1.00 0.00 H new ATOM 0 HD1 PHE A 57 6.190 -14.805 -6.392 1.00 0.00 H new ATOM 0 HD2 PHE A 57 9.656 -17.379 -6.251 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.852 -16.558 -5.195 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.275 -19.192 -5.245 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.857 -18.810 -4.873 1.00 0.00 H new ATOM 854 N GLY A 58 11.239 -14.259 -8.689 1.00 0.00 N ATOM 855 CA GLY A 58 12.517 -13.569 -8.953 1.00 0.00 C ATOM 856 C GLY A 58 13.489 -13.539 -7.773 1.00 0.00 C ATOM 857 O GLY A 58 14.611 -13.073 -7.926 1.00 0.00 O ATOM 0 H GLY A 58 11.381 -15.225 -8.394 1.00 0.00 H new ATOM 0 HA2 GLY A 58 13.008 -14.055 -9.797 1.00 0.00 H new ATOM 0 HA3 GLY A 58 12.304 -12.544 -9.255 1.00 0.00 H new ATOM 861 N LYS A 59 13.079 -14.018 -6.598 1.00 0.00 N ATOM 862 CA LYS A 59 13.937 -14.202 -5.414 1.00 0.00 C ATOM 863 C LYS A 59 14.480 -15.602 -5.362 1.00 0.00 C ATOM 864 O LYS A 59 13.698 -16.542 -5.410 1.00 0.00 O ATOM 865 CB LYS A 59 13.092 -13.898 -4.159 1.00 0.00 C ATOM 866 CG LYS A 59 13.378 -12.447 -3.760 1.00 0.00 C ATOM 867 CD LYS A 59 14.566 -12.345 -2.795 1.00 0.00 C ATOM 868 CE LYS A 59 15.809 -11.670 -3.358 1.00 0.00 C ATOM 869 NZ LYS A 59 16.570 -11.019 -2.264 1.00 0.00 N ATOM 0 H LYS A 59 12.112 -14.299 -6.433 1.00 0.00 H new ATOM 0 HA LYS A 59 14.790 -13.525 -5.463 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.031 -14.038 -4.367 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.350 -14.578 -3.347 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.584 -11.858 -4.654 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.492 -12.017 -3.293 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.246 -11.798 -1.908 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.835 -13.350 -2.469 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.436 -12.406 -3.861 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.524 -10.929 -4.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 17.417 -10.560 -2.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.972 -10.305 -1.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.856 -11.735 -1.566 1.00 0.00 H new ATOM 883 N SER A 60 15.790 -15.717 -5.148 1.00 0.00 N ATOM 884 CA SER A 60 16.477 -17.011 -4.960 1.00 0.00 C ATOM 885 C SER A 60 16.114 -17.750 -3.653 1.00 0.00 C ATOM 886 O SER A 60 16.703 -18.775 -3.328 1.00 0.00 O ATOM 887 CB SER A 60 17.983 -16.811 -5.044 1.00 0.00 C ATOM 888 OG SER A 60 18.418 -16.051 -3.952 1.00 0.00 O ATOM 0 H SER A 60 16.416 -14.914 -5.098 1.00 0.00 H new ATOM 0 HA SER A 60 16.125 -17.654 -5.767 1.00 0.00 H new ATOM 0 HB2 SER A 60 18.488 -17.777 -5.052 1.00 0.00 H new ATOM 0 HB3 SER A 60 18.242 -16.308 -5.976 1.00 0.00 H new ATOM 0 HG SER A 60 19.388 -15.925 -4.007 1.00 0.00 H new ATOM 894 N ASP A 61 15.194 -17.194 -2.863 1.00 0.00 N ATOM 895 CA ASP A 61 14.761 -17.614 -1.529 1.00 0.00 C ATOM 896 C ASP A 61 13.534 -18.503 -1.685 1.00 0.00 C ATOM 897 O ASP A 61 13.548 -19.657 -1.259 1.00 0.00 O ATOM 898 CB ASP A 61 14.491 -16.391 -0.603 1.00 0.00 C ATOM 899 CG ASP A 61 15.458 -15.173 -0.631 1.00 0.00 C ATOM 900 OD1 ASP A 61 16.433 -15.143 -1.406 1.00 0.00 O ATOM 901 OD2 ASP A 61 15.143 -14.164 0.046 1.00 0.00 O ATOM 0 H ASP A 61 14.687 -16.363 -3.168 1.00 0.00 H new ATOM 0 HA ASP A 61 15.554 -18.181 -1.042 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.493 -16.020 -0.837 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.462 -16.760 0.422 1.00 0.00 H new ATOM 906 N CYS A 62 12.516 -17.969 -2.366 1.00 0.00 N ATOM 907 CA CYS A 62 11.292 -18.681 -2.717 1.00 0.00 C ATOM 908 C CYS A 62 11.472 -19.639 -3.905 1.00 0.00 C ATOM 909 O CYS A 62 10.717 -20.598 -4.013 1.00 0.00 O ATOM 910 CB CYS A 62 10.188 -17.693 -3.125 1.00 0.00 C ATOM 911 SG CYS A 62 10.218 -16.058 -2.323 1.00 0.00 S ATOM 0 H CYS A 62 12.524 -17.004 -2.695 1.00 0.00 H new ATOM 0 HA CYS A 62 11.026 -19.248 -1.825 1.00 0.00 H new ATOM 0 HB2 CYS A 62 10.246 -17.544 -4.203 1.00 0.00 H new ATOM 0 HB3 CYS A 62 9.223 -18.156 -2.918 1.00 0.00 H new ATOM 916 N ASP A 63 12.439 -19.354 -4.787 1.00 0.00 N ATOM 917 CA ASP A 63 12.967 -20.264 -5.839 1.00 0.00 C ATOM 918 C ASP A 63 13.833 -21.406 -5.299 1.00 0.00 C ATOM 919 O ASP A 63 13.945 -22.474 -5.899 1.00 0.00 O ATOM 920 CB ASP A 63 13.877 -19.453 -6.761 1.00 0.00 C ATOM 921 CG ASP A 63 14.405 -20.260 -7.944 1.00 0.00 C ATOM 922 OD1 ASP A 63 15.448 -20.936 -7.791 1.00 0.00 O ATOM 923 OD2 ASP A 63 13.811 -20.074 -9.025 1.00 0.00 O ATOM 0 H ASP A 63 12.902 -18.445 -4.796 1.00 0.00 H new ATOM 0 HA ASP A 63 12.095 -20.693 -6.333 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.328 -18.589 -7.135 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.720 -19.071 -6.185 1.00 0.00 H new ATOM 928 N ARG A 64 14.474 -21.213 -4.146 1.00 0.00 N ATOM 929 CA ARG A 64 15.234 -22.303 -3.533 1.00 0.00 C ATOM 930 C ARG A 64 14.382 -23.516 -3.121 1.00 0.00 C ATOM 931 O ARG A 64 13.246 -23.375 -2.681 1.00 0.00 O ATOM 932 CB ARG A 64 15.994 -21.752 -2.335 1.00 0.00 C ATOM 933 CG ARG A 64 15.621 -22.200 -0.894 1.00 0.00 C ATOM 934 CD ARG A 64 16.349 -21.563 0.283 1.00 0.00 C ATOM 935 NE ARG A 64 17.493 -20.718 -0.065 1.00 0.00 N ATOM 936 CZ ARG A 64 18.683 -21.146 -0.418 1.00 0.00 C ATOM 937 NH1 ARG A 64 19.035 -22.393 -0.453 1.00 0.00 N ATOM 938 NH2 ARG A 64 19.517 -20.321 -0.917 1.00 0.00 N ATOM 0 H ARG A 64 14.484 -20.335 -3.628 1.00 0.00 H new ATOM 0 HA ARG A 64 15.918 -22.683 -4.292 1.00 0.00 H new ATOM 0 HB2 ARG A 64 17.047 -21.990 -2.484 1.00 0.00 H new ATOM 0 HB3 ARG A 64 15.905 -20.666 -2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 64 14.554 -22.021 -0.758 1.00 0.00 H new ATOM 0 HG3 ARG A 64 15.774 -23.277 -0.833 1.00 0.00 H new ATOM 0 HD2 ARG A 64 15.635 -20.963 0.848 1.00 0.00 H new ATOM 0 HD3 ARG A 64 16.694 -22.356 0.946 1.00 0.00 H new ATOM 0 HE ARG A 64 17.353 -19.708 -0.030 1.00 0.00 H new ATOM 0 HH11 ARG A 64 18.367 -23.119 -0.195 1.00 0.00 H new ATOM 0 HH12 ARG A 64 19.980 -22.648 -0.739 1.00 0.00 H new ATOM 0 HH21 ARG A 64 19.256 -19.342 -1.038 1.00 0.00 H new ATOM 0 HH22 ARG A 64 20.445 -20.640 -1.196 1.00 0.00 H new ATOM 952 N PRO A 65 14.975 -24.715 -3.036 1.00 0.00 N ATOM 953 CA PRO A 65 14.238 -25.856 -2.540 1.00 0.00 C ATOM 954 C PRO A 65 13.808 -25.674 -1.043 1.00 0.00 C ATOM 955 O PRO A 65 14.670 -25.337 -0.224 1.00 0.00 O ATOM 956 CB PRO A 65 15.177 -27.020 -2.721 1.00 0.00 C ATOM 957 CG PRO A 65 16.597 -26.447 -2.889 1.00 0.00 C ATOM 958 CD PRO A 65 16.396 -24.970 -3.147 1.00 0.00 C ATOM 0 HA PRO A 65 13.300 -26.001 -3.077 1.00 0.00 H new ATOM 0 HB2 PRO A 65 15.132 -27.687 -1.860 1.00 0.00 H new ATOM 0 HB3 PRO A 65 14.895 -27.608 -3.594 1.00 0.00 H new ATOM 0 HG2 PRO A 65 17.198 -26.613 -1.995 1.00 0.00 H new ATOM 0 HG3 PRO A 65 17.120 -26.925 -3.718 1.00 0.00 H new ATOM 0 HD2 PRO A 65 16.953 -24.372 -2.426 1.00 0.00 H new ATOM 0 HD3 PRO A 65 16.761 -24.697 -4.137 1.00 0.00 H new ATOM 966 N PRO A 66 12.540 -25.871 -0.633 1.00 0.00 N ATOM 967 CA PRO A 66 12.079 -25.792 0.736 1.00 0.00 C ATOM 968 C PRO A 66 12.693 -26.898 1.588 1.00 0.00 C ATOM 969 O PRO A 66 13.475 -27.739 1.168 1.00 0.00 O ATOM 970 CB PRO A 66 10.553 -25.825 0.639 1.00 0.00 C ATOM 971 CG PRO A 66 10.185 -26.353 -0.737 1.00 0.00 C ATOM 972 CD PRO A 66 11.484 -26.274 -1.509 1.00 0.00 C ATOM 0 HA PRO A 66 12.393 -24.882 1.248 1.00 0.00 H new ATOM 0 HB2 PRO A 66 10.135 -26.463 1.417 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.139 -24.828 0.788 1.00 0.00 H new ATOM 0 HG2 PRO A 66 9.810 -27.375 -0.687 1.00 0.00 H new ATOM 0 HG3 PRO A 66 9.405 -25.750 -1.202 1.00 0.00 H new ATOM 0 HD2 PRO A 66 11.715 -27.243 -1.951 1.00 0.00 H new ATOM 0 HD3 PRO A 66 11.388 -25.563 -2.330 1.00 0.00 H new ATOM 980 N LYS A 67 12.368 -26.870 2.866 1.00 0.00 N ATOM 981 CA LYS A 67 12.726 -27.994 3.750 1.00 0.00 C ATOM 982 C LYS A 67 11.524 -28.407 4.595 1.00 0.00 C ATOM 983 O LYS A 67 11.627 -28.396 5.805 1.00 0.00 O ATOM 984 CB LYS A 67 14.038 -27.675 4.478 1.00 0.00 C ATOM 985 CG LYS A 67 14.503 -28.770 5.482 1.00 0.00 C ATOM 986 CD LYS A 67 15.759 -29.507 5.052 1.00 0.00 C ATOM 987 CE LYS A 67 15.692 -30.888 5.728 1.00 0.00 C ATOM 988 NZ LYS A 67 17.028 -31.504 5.766 1.00 0.00 N ATOM 0 H LYS A 67 11.868 -26.106 3.320 1.00 0.00 H new ATOM 0 HA LYS A 67 12.953 -28.903 3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.822 -27.523 3.737 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.921 -26.734 5.015 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.680 -28.307 6.453 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.698 -29.492 5.615 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.802 -29.605 3.967 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.654 -28.965 5.359 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.302 -30.786 6.741 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.002 -31.533 5.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.968 -32.435 6.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.385 -31.618 4.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.676 -30.894 6.304 1.00 0.00 H new ATOM 1002 N HIS A 68 10.364 -28.688 4.011 1.00 0.00 N ATOM 1003 CA HIS A 68 9.209 -29.060 4.859 1.00 0.00 C ATOM 1004 C HIS A 68 9.298 -30.507 5.400 1.00 0.00 C ATOM 1005 O HIS A 68 9.933 -31.389 4.850 1.00 0.00 O ATOM 1006 CB HIS A 68 7.955 -28.808 4.028 1.00 0.00 C ATOM 1007 CG HIS A 68 6.733 -29.224 4.765 1.00 0.00 C ATOM 1008 ND1 HIS A 68 5.981 -30.345 4.494 1.00 0.00 N ATOM 1009 CD2 HIS A 68 6.207 -28.570 5.833 1.00 0.00 C ATOM 1010 CE1 HIS A 68 4.961 -30.340 5.382 1.00 0.00 C ATOM 1011 NE2 HIS A 68 5.077 -29.265 6.192 1.00 0.00 N ATOM 0 H HIS A 68 10.189 -28.671 3.006 1.00 0.00 H new ATOM 0 HA HIS A 68 9.191 -28.450 5.762 1.00 0.00 H new ATOM 0 HB2 HIS A 68 7.889 -27.750 3.776 1.00 0.00 H new ATOM 0 HB3 HIS A 68 8.021 -29.356 3.088 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.599 -27.681 6.306 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.176 -31.080 5.435 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.435 -29.012 6.943 1.00 0.00 H new ATOM 1020 N SER A 69 8.559 -30.836 6.451 1.00 0.00 N ATOM 1021 CA SER A 69 8.536 -32.211 6.993 1.00 0.00 C ATOM 1022 C SER A 69 7.188 -32.531 7.598 1.00 0.00 C ATOM 1023 O SER A 69 6.225 -31.802 7.419 1.00 0.00 O ATOM 1024 CB SER A 69 9.752 -32.406 7.906 1.00 0.00 C ATOM 1025 OG SER A 69 10.493 -33.451 7.317 1.00 0.00 O ATOM 0 H SER A 69 7.963 -30.178 6.954 1.00 0.00 H new ATOM 0 HA SER A 69 8.640 -32.954 6.202 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.344 -31.493 7.974 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.446 -32.663 8.920 1.00 0.00 H new ATOM 0 HG SER A 69 11.293 -33.628 7.854 1.00 0.00 H new ATOM 1031 N LYS A 70 7.065 -33.655 8.273 1.00 0.00 N ATOM 1032 CA LYS A 70 5.875 -33.970 9.079 1.00 0.00 C ATOM 1033 C LYS A 70 5.959 -33.274 10.424 1.00 0.00 C ATOM 1034 O LYS A 70 6.334 -33.914 11.384 1.00 0.00 O ATOM 1035 CB LYS A 70 5.821 -35.494 9.212 1.00 0.00 C ATOM 1036 CG LYS A 70 4.645 -35.995 8.395 1.00 0.00 C ATOM 1037 CD LYS A 70 4.969 -37.311 7.721 1.00 0.00 C ATOM 1038 CE LYS A 70 4.907 -38.460 8.726 1.00 0.00 C ATOM 1039 NZ LYS A 70 4.270 -39.653 8.111 1.00 0.00 N ATOM 0 H LYS A 70 7.779 -34.383 8.287 1.00 0.00 H new ATOM 0 HA LYS A 70 4.959 -33.613 8.608 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.750 -35.941 8.857 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.709 -35.781 10.257 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.776 -36.118 9.041 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.379 -35.253 7.642 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.265 -37.493 6.909 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.963 -37.263 7.276 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.913 -38.711 9.064 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.343 -38.152 9.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.235 -40.425 8.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.304 -39.414 7.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.825 -39.956 7.285 1.00 0.00 H new ATOM 1053 N ASP A 71 5.626 -31.986 10.456 1.00 0.00 N ATOM 1054 CA ASP A 71 5.558 -31.126 11.676 1.00 0.00 C ATOM 1055 C ASP A 71 5.031 -29.735 11.357 1.00 0.00 C ATOM 1056 O ASP A 71 4.198 -29.177 12.058 1.00 0.00 O ATOM 1057 CB ASP A 71 6.951 -31.006 12.345 1.00 0.00 C ATOM 1058 CG ASP A 71 7.003 -31.597 13.764 1.00 0.00 C ATOM 1059 OD1 ASP A 71 6.155 -32.453 14.112 1.00 0.00 O ATOM 1060 OD2 ASP A 71 7.882 -31.125 14.511 1.00 0.00 O ATOM 0 H ASP A 71 5.383 -31.474 9.608 1.00 0.00 H new ATOM 0 HA ASP A 71 4.865 -31.608 12.365 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.689 -31.511 11.722 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.236 -29.955 12.387 1.00 0.00 H new ATOM 1065 N GLY A 72 5.544 -29.184 10.270 1.00 0.00 N ATOM 1066 CA GLY A 72 5.256 -27.836 9.805 1.00 0.00 C ATOM 1067 C GLY A 72 6.536 -27.061 9.662 1.00 0.00 C ATOM 1068 O GLY A 72 6.900 -26.709 8.551 1.00 0.00 O ATOM 0 H GLY A 72 6.197 -29.681 9.664 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.735 -27.875 8.848 1.00 0.00 H new ATOM 0 HA3 GLY A 72 4.593 -27.333 10.508 1.00 0.00 H new ATOM 1072 N ASN A 73 7.232 -26.844 10.767 1.00 0.00 N ATOM 1073 CA ASN A 73 8.513 -26.184 10.902 1.00 0.00 C ATOM 1074 C ASN A 73 9.307 -26.991 11.958 1.00 0.00 C ATOM 1075 O ASN A 73 9.134 -26.807 13.157 1.00 0.00 O ATOM 1076 CB ASN A 73 8.259 -24.717 11.307 1.00 0.00 C ATOM 1077 CG ASN A 73 9.529 -24.035 11.692 1.00 0.00 C ATOM 1078 OD1 ASN A 73 9.617 -23.218 12.587 1.00 0.00 O ATOM 1079 ND2 ASN A 73 10.538 -24.134 10.888 1.00 0.00 N ATOM 0 H ASN A 73 6.879 -27.155 11.672 1.00 0.00 H new ATOM 0 HA ASN A 73 9.094 -26.155 9.980 1.00 0.00 H new ATOM 0 HB2 ASN A 73 7.794 -24.184 10.478 1.00 0.00 H new ATOM 0 HB3 ASN A 73 7.558 -24.684 12.141 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.357 -23.541 11.022 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.514 -24.805 10.120 1.00 0.00 H new ATOM 1086 N GLY A 74 10.161 -27.893 11.493 1.00 0.00 N ATOM 1087 CA GLY A 74 11.137 -28.600 12.338 1.00 0.00 C ATOM 1088 C GLY A 74 12.343 -27.780 12.819 1.00 0.00 C ATOM 1089 O GLY A 74 12.291 -27.046 13.801 1.00 0.00 O ATOM 0 H GLY A 74 10.203 -28.163 10.510 1.00 0.00 H new ATOM 0 HA2 GLY A 74 10.615 -28.986 13.214 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.509 -29.461 11.783 1.00 0.00 H new ATOM 1093 N LYS A 75 13.486 -27.922 12.149 1.00 0.00 N ATOM 1094 CA LYS A 75 14.665 -27.057 12.439 1.00 0.00 C ATOM 1095 C LYS A 75 14.550 -25.623 11.889 1.00 0.00 C ATOM 1096 O LYS A 75 13.986 -24.739 12.512 1.00 0.00 O ATOM 1097 CB LYS A 75 15.942 -27.792 11.995 1.00 0.00 C ATOM 1098 CG LYS A 75 16.388 -28.853 13.010 1.00 0.00 C ATOM 1099 CD LYS A 75 17.910 -28.772 13.141 1.00 0.00 C ATOM 1100 CE LYS A 75 18.380 -29.755 14.205 1.00 0.00 C ATOM 1101 NZ LYS A 75 19.734 -29.407 14.724 1.00 0.00 N ATOM 0 H LYS A 75 13.636 -28.611 11.411 1.00 0.00 H new ATOM 0 HA LYS A 75 14.711 -26.894 13.516 1.00 0.00 H new ATOM 0 HB2 LYS A 75 15.768 -28.267 11.030 1.00 0.00 H new ATOM 0 HB3 LYS A 75 16.744 -27.068 11.854 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.913 -28.680 13.976 1.00 0.00 H new ATOM 0 HG3 LYS A 75 16.086 -29.847 12.680 1.00 0.00 H new ATOM 0 HD2 LYS A 75 18.381 -29.001 12.185 1.00 0.00 H new ATOM 0 HD3 LYS A 75 18.209 -27.759 13.409 1.00 0.00 H new ATOM 0 HE2 LYS A 75 17.667 -29.766 15.029 1.00 0.00 H new ATOM 0 HE3 LYS A 75 18.399 -30.761 13.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 20.018 -30.100 15.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 20.420 -29.421 13.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 19.710 -28.457 15.146 1.00 0.00 H new ATOM 1115 N THR A 76 15.149 -25.365 10.734 1.00 0.00 N ATOM 1116 CA THR A 76 15.103 -24.037 10.056 1.00 0.00 C ATOM 1117 C THR A 76 14.240 -24.096 8.786 1.00 0.00 C ATOM 1118 O THR A 76 14.339 -23.203 7.952 1.00 0.00 O ATOM 1119 CB THR A 76 16.538 -23.451 9.870 1.00 0.00 C ATOM 1120 OG1 THR A 76 16.621 -22.089 10.188 1.00 0.00 O ATOM 1121 CG2 THR A 76 17.302 -23.671 8.539 1.00 0.00 C ATOM 0 H THR A 76 15.689 -26.063 10.222 1.00 0.00 H new ATOM 0 HA THR A 76 14.596 -23.315 10.697 1.00 0.00 H new ATOM 0 HB THR A 76 17.053 -24.089 10.589 1.00 0.00 H new ATOM 0 HG1 THR A 76 17.541 -21.777 10.055 1.00 0.00 H new ATOM 0 HG21 THR A 76 18.279 -23.192 8.597 1.00 0.00 H new ATOM 0 HG22 THR A 76 17.431 -24.739 8.366 1.00 0.00 H new ATOM 0 HG23 THR A 76 16.733 -23.236 7.717 1.00 0.00 H new ATOM 1129 N ASP A 77 13.460 -25.180 8.602 1.00 0.00 N ATOM 1130 CA ASP A 77 12.672 -25.574 7.427 1.00 0.00 C ATOM 1131 C ASP A 77 12.332 -24.361 6.543 1.00 0.00 C ATOM 1132 O ASP A 77 11.455 -23.582 6.861 1.00 0.00 O ATOM 1133 CB ASP A 77 11.397 -26.268 7.915 1.00 0.00 C ATOM 1134 CG ASP A 77 11.546 -27.595 8.650 1.00 0.00 C ATOM 1135 OD1 ASP A 77 12.624 -27.859 9.241 1.00 0.00 O ATOM 1136 OD2 ASP A 77 10.491 -28.261 8.738 1.00 0.00 O ATOM 0 H ASP A 77 13.359 -25.867 9.350 1.00 0.00 H new ATOM 0 HA ASP A 77 13.257 -26.257 6.811 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.871 -25.577 8.574 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.755 -26.435 7.050 1.00 0.00 H new ATOM 1141 N HIS A 78 13.095 -24.051 5.501 1.00 0.00 N ATOM 1142 CA HIS A 78 13.001 -22.698 4.879 1.00 0.00 C ATOM 1143 C HIS A 78 11.960 -22.800 3.778 1.00 0.00 C ATOM 1144 O HIS A 78 12.254 -22.706 2.590 1.00 0.00 O ATOM 1145 CB HIS A 78 14.374 -22.211 4.423 1.00 0.00 C ATOM 1146 CG HIS A 78 15.177 -23.295 3.774 1.00 0.00 C ATOM 1147 ND1 HIS A 78 15.200 -23.548 2.431 1.00 0.00 N ATOM 1148 CD2 HIS A 78 15.949 -24.224 4.408 1.00 0.00 C ATOM 1149 CE1 HIS A 78 16.095 -24.539 2.226 1.00 0.00 C ATOM 1150 NE2 HIS A 78 16.522 -25.019 3.413 1.00 0.00 N ATOM 0 H HIS A 78 13.770 -24.681 5.067 1.00 0.00 H new ATOM 0 HA HIS A 78 12.678 -21.934 5.587 1.00 0.00 H new ATOM 0 HB2 HIS A 78 14.249 -21.386 3.722 1.00 0.00 H new ATOM 0 HB3 HIS A 78 14.922 -21.821 5.281 1.00 0.00 H new ATOM 0 HD2 HIS A 78 16.090 -24.325 5.474 1.00 0.00 H new ATOM 0 HE1 HIS A 78 16.420 -24.893 1.259 1.00 0.00 H new ATOM 0 HE2 HIS A 78 17.146 -25.813 3.556 1.00 0.00 H new ATOM 1159 N TYR A 79 10.798 -23.263 4.192 1.00 0.00 N ATOM 1160 CA TYR A 79 9.680 -23.609 3.339 1.00 0.00 C ATOM 1161 C TYR A 79 8.910 -22.308 3.109 1.00 0.00 C ATOM 1162 O TYR A 79 8.947 -21.408 3.944 1.00 0.00 O ATOM 1163 CB TYR A 79 8.928 -24.814 3.933 1.00 0.00 C ATOM 1164 CG TYR A 79 8.187 -24.518 5.219 1.00 0.00 C ATOM 1165 CD1 TYR A 79 8.873 -24.539 6.420 1.00 0.00 C ATOM 1166 CD2 TYR A 79 6.840 -24.194 5.263 1.00 0.00 C ATOM 1167 CE1 TYR A 79 8.333 -24.141 7.653 1.00 0.00 C ATOM 1168 CE2 TYR A 79 6.209 -24.001 6.492 1.00 0.00 C ATOM 1169 CZ TYR A 79 6.945 -23.890 7.683 1.00 0.00 C ATOM 1170 OH TYR A 79 6.263 -23.800 8.831 1.00 0.00 O ATOM 0 H TYR A 79 10.598 -23.415 5.181 1.00 0.00 H new ATOM 0 HA TYR A 79 9.944 -23.978 2.348 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.216 -25.182 3.194 1.00 0.00 H new ATOM 0 HB3 TYR A 79 9.641 -25.617 4.116 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.896 -24.886 6.408 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.279 -24.091 4.346 1.00 0.00 H new ATOM 0 HE1 TYR A 79 8.949 -24.032 8.534 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.132 -23.936 6.528 1.00 0.00 H new ATOM 0 HH TYR A 79 5.773 -24.634 8.987 1.00 0.00 H new ATOM 1180 N LEU A 80 8.276 -22.137 1.953 1.00 0.00 N ATOM 1181 CA LEU A 80 7.341 -21.004 1.870 1.00 0.00 C ATOM 1182 C LEU A 80 6.047 -21.244 2.638 1.00 0.00 C ATOM 1183 O LEU A 80 5.736 -22.391 2.900 1.00 0.00 O ATOM 1184 CB LEU A 80 7.007 -20.747 0.403 1.00 0.00 C ATOM 1185 CG LEU A 80 8.180 -19.988 -0.240 1.00 0.00 C ATOM 1186 CD1 LEU A 80 8.997 -20.822 -1.224 1.00 0.00 C ATOM 1187 CD2 LEU A 80 7.632 -18.727 -0.879 1.00 0.00 C ATOM 0 H LEU A 80 8.373 -22.714 1.117 1.00 0.00 H new ATOM 0 HA LEU A 80 7.831 -20.143 2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.835 -21.690 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.089 -20.165 0.320 1.00 0.00 H new ATOM 0 HG LEU A 80 8.893 -19.736 0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.804 -20.215 -1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.418 -21.685 -0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.353 -21.163 -2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.447 -18.170 -1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.897 -18.994 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.158 -18.109 -0.116 1.00 0.00 H new ATOM 1199 N LEU A 81 5.260 -20.210 2.960 1.00 0.00 N ATOM 1200 CA LEU A 81 3.990 -20.337 3.676 1.00 0.00 C ATOM 1201 C LEU A 81 2.960 -19.385 3.150 1.00 0.00 C ATOM 1202 O LEU A 81 3.104 -18.175 3.292 1.00 0.00 O ATOM 1203 CB LEU A 81 4.106 -20.096 5.187 1.00 0.00 C ATOM 1204 CG LEU A 81 5.151 -20.973 5.812 1.00 0.00 C ATOM 1205 CD1 LEU A 81 6.548 -20.409 5.882 1.00 0.00 C ATOM 1206 CD2 LEU A 81 4.822 -21.099 7.281 1.00 0.00 C ATOM 0 H LEU A 81 5.494 -19.246 2.725 1.00 0.00 H new ATOM 0 HA LEU A 81 3.689 -21.371 3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.352 -19.050 5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.142 -20.285 5.660 1.00 0.00 H new ATOM 0 HG LEU A 81 5.139 -21.871 5.194 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.210 -21.135 6.353 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.904 -20.193 4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.541 -19.490 6.469 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.564 -21.732 7.767 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.830 -20.111 7.742 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.834 -21.545 7.396 1.00 0.00 H new ATOM 1218 N GLU A 82 1.938 -19.925 2.502 1.00 0.00 N ATOM 1219 CA GLU A 82 0.925 -19.060 1.931 1.00 0.00 C ATOM 1220 C GLU A 82 -0.070 -18.596 2.992 1.00 0.00 C ATOM 1221 O GLU A 82 -0.355 -19.300 3.970 1.00 0.00 O ATOM 1222 CB GLU A 82 0.240 -19.714 0.732 1.00 0.00 C ATOM 1223 CG GLU A 82 -0.682 -20.868 0.978 1.00 0.00 C ATOM 1224 CD GLU A 82 -0.053 -22.178 0.723 1.00 0.00 C ATOM 1225 OE1 GLU A 82 0.896 -22.571 1.434 1.00 0.00 O ATOM 1226 OE2 GLU A 82 -0.807 -22.924 0.043 1.00 0.00 O ATOM 0 H GLU A 82 1.792 -20.925 2.363 1.00 0.00 H new ATOM 0 HA GLU A 82 1.422 -18.166 1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.327 -18.942 0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.019 -20.052 0.049 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.029 -20.834 2.011 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.561 -20.764 0.342 1.00 0.00 H new ATOM 1233 N PHE A 83 -0.665 -17.428 2.769 1.00 0.00 N ATOM 1234 CA PHE A 83 -1.655 -16.911 3.729 1.00 0.00 C ATOM 1235 C PHE A 83 -2.854 -16.193 3.072 1.00 0.00 C ATOM 1236 O PHE A 83 -2.632 -15.446 2.130 1.00 0.00 O ATOM 1237 CB PHE A 83 -0.951 -16.008 4.737 1.00 0.00 C ATOM 1238 CG PHE A 83 -1.656 -15.925 6.035 1.00 0.00 C ATOM 1239 CD1 PHE A 83 -2.064 -17.109 6.680 1.00 0.00 C ATOM 1240 CD2 PHE A 83 -2.003 -14.644 6.521 1.00 0.00 C ATOM 1241 CE1 PHE A 83 -2.723 -17.017 7.906 1.00 0.00 C ATOM 1242 CE2 PHE A 83 -2.766 -14.566 7.694 1.00 0.00 C ATOM 1243 CZ PHE A 83 -2.952 -15.748 8.415 1.00 0.00 C ATOM 0 H PHE A 83 -0.492 -16.831 1.960 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.091 -17.772 4.237 1.00 0.00 H new ATOM 0 HB2 PHE A 83 0.061 -16.379 4.903 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.859 -15.007 4.316 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.870 -18.073 6.232 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.689 -13.750 6.003 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.043 -17.901 8.438 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -3.192 -13.631 8.027 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.297 -15.668 9.435 1.00 0.00 H new ATOM 1253 N PRO A 84 -4.122 -16.437 3.449 1.00 0.00 N ATOM 1254 CA PRO A 84 -5.296 -15.839 2.835 1.00 0.00 C ATOM 1255 C PRO A 84 -5.436 -14.364 3.188 1.00 0.00 C ATOM 1256 O PRO A 84 -6.118 -13.989 4.132 1.00 0.00 O ATOM 1257 CB PRO A 84 -6.483 -16.721 3.175 1.00 0.00 C ATOM 1258 CG PRO A 84 -6.017 -17.475 4.405 1.00 0.00 C ATOM 1259 CD PRO A 84 -4.522 -17.336 4.491 1.00 0.00 C ATOM 0 HA PRO A 84 -5.214 -15.809 1.749 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -7.377 -16.131 3.379 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.728 -17.398 2.357 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -6.490 -17.073 5.301 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -6.300 -18.526 4.339 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.226 -16.951 5.467 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -4.037 -18.305 4.371 1.00 0.00 H new ATOM 1267 N THR A 85 -4.781 -13.541 2.373 1.00 0.00 N ATOM 1268 CA THR A 85 -4.773 -12.090 2.525 1.00 0.00 C ATOM 1269 C THR A 85 -5.914 -11.470 1.758 1.00 0.00 C ATOM 1270 O THR A 85 -5.823 -11.270 0.561 1.00 0.00 O ATOM 1271 CB THR A 85 -3.416 -11.478 2.210 1.00 0.00 C ATOM 1272 OG1 THR A 85 -3.431 -10.182 2.714 1.00 0.00 O ATOM 1273 CG2 THR A 85 -2.939 -11.457 0.739 1.00 0.00 C ATOM 0 H THR A 85 -4.233 -13.869 1.577 1.00 0.00 H new ATOM 0 HA THR A 85 -4.940 -11.857 3.577 1.00 0.00 H new ATOM 0 HB THR A 85 -2.689 -12.143 2.677 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.380 -9.542 1.973 1.00 0.00 H new ATOM 0 HG21 THR A 85 -1.956 -10.989 0.682 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.878 -12.478 0.362 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.647 -10.889 0.135 1.00 0.00 H new ATOM 1281 N PHE A 86 -7.024 -11.183 2.412 1.00 0.00 N ATOM 1282 CA PHE A 86 -8.152 -10.571 1.691 1.00 0.00 C ATOM 1283 C PHE A 86 -7.972 -9.041 1.500 1.00 0.00 C ATOM 1284 O PHE A 86 -7.275 -8.396 2.290 1.00 0.00 O ATOM 1285 CB PHE A 86 -9.415 -10.924 2.430 1.00 0.00 C ATOM 1286 CG PHE A 86 -9.500 -12.409 2.658 1.00 0.00 C ATOM 1287 CD1 PHE A 86 -9.760 -13.306 1.583 1.00 0.00 C ATOM 1288 CD2 PHE A 86 -9.306 -12.892 3.970 1.00 0.00 C ATOM 1289 CE1 PHE A 86 -9.926 -14.680 1.862 1.00 0.00 C ATOM 1290 CE2 PHE A 86 -9.539 -14.249 4.231 1.00 0.00 C ATOM 1291 CZ PHE A 86 -9.819 -15.140 3.185 1.00 0.00 C ATOM 0 H PHE A 86 -7.179 -11.352 3.406 1.00 0.00 H new ATOM 0 HA PHE A 86 -8.203 -10.967 0.677 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -9.441 -10.402 3.387 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -10.282 -10.588 1.860 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -9.829 -12.941 0.569 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -8.984 -12.228 4.758 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -10.134 -15.375 1.062 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -9.503 -14.612 5.247 1.00 0.00 H new ATOM 0 HZ PHE A 86 -9.954 -16.190 3.399 1.00 0.00 H new ATOM 1301 N PRO A 87 -8.633 -8.405 0.510 1.00 0.00 N ATOM 1302 CA PRO A 87 -8.584 -6.964 0.350 1.00 0.00 C ATOM 1303 C PRO A 87 -9.335 -6.165 1.385 1.00 0.00 C ATOM 1304 O PRO A 87 -8.970 -5.008 1.578 1.00 0.00 O ATOM 1305 CB PRO A 87 -9.315 -6.581 -0.917 1.00 0.00 C ATOM 1306 CG PRO A 87 -10.044 -7.873 -1.354 1.00 0.00 C ATOM 1307 CD PRO A 87 -9.562 -8.984 -0.432 1.00 0.00 C ATOM 0 HA PRO A 87 -7.517 -6.743 0.393 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -10.020 -5.770 -0.738 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -8.623 -6.237 -1.686 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -11.125 -7.751 -1.280 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -9.821 -8.110 -2.394 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -10.404 -9.438 0.091 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -9.080 -9.775 -1.007 1.00 0.00 H new ATOM 1315 N ASP A 88 -10.433 -6.721 1.928 1.00 0.00 N ATOM 1316 CA ASP A 88 -11.291 -6.193 3.038 1.00 0.00 C ATOM 1317 C ASP A 88 -10.405 -5.643 4.168 1.00 0.00 C ATOM 1318 O ASP A 88 -10.651 -4.621 4.791 1.00 0.00 O ATOM 1319 CB ASP A 88 -12.191 -7.347 3.537 1.00 0.00 C ATOM 1320 CG ASP A 88 -13.430 -6.941 4.334 1.00 0.00 C ATOM 1321 OD1 ASP A 88 -13.240 -6.313 5.390 1.00 0.00 O ATOM 1322 OD2 ASP A 88 -14.488 -7.523 4.040 1.00 0.00 O ATOM 0 H ASP A 88 -10.781 -7.617 1.587 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.918 -5.373 2.687 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.515 -7.927 2.673 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.587 -8.009 4.157 1.00 0.00 H new ATOM 1327 N GLY A 89 -9.281 -6.320 4.372 1.00 0.00 N ATOM 1328 CA GLY A 89 -8.323 -5.984 5.414 1.00 0.00 C ATOM 1329 C GLY A 89 -8.547 -6.625 6.768 1.00 0.00 C ATOM 1330 O GLY A 89 -7.851 -6.312 7.736 1.00 0.00 O ATOM 0 H GLY A 89 -9.008 -7.127 3.811 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.328 -6.261 5.065 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -8.325 -4.902 5.544 1.00 0.00 H new ATOM 1334 N HIS A 90 -9.501 -7.544 6.787 1.00 0.00 N ATOM 1335 CA HIS A 90 -9.832 -8.377 7.913 1.00 0.00 C ATOM 1336 C HIS A 90 -8.682 -9.381 8.060 1.00 0.00 C ATOM 1337 O HIS A 90 -8.210 -10.009 7.108 1.00 0.00 O ATOM 1338 CB HIS A 90 -11.302 -8.884 7.775 1.00 0.00 C ATOM 1339 CG HIS A 90 -11.656 -9.928 6.724 1.00 0.00 C ATOM 1340 ND1 HIS A 90 -12.552 -9.776 5.672 1.00 0.00 N ATOM 1341 CD2 HIS A 90 -11.185 -11.210 6.678 1.00 0.00 C ATOM 1342 CE1 HIS A 90 -12.538 -10.933 4.957 1.00 0.00 C ATOM 1343 NE2 HIS A 90 -11.752 -11.842 5.578 1.00 0.00 N ATOM 0 H HIS A 90 -10.088 -7.731 5.974 1.00 0.00 H new ATOM 0 HA HIS A 90 -9.880 -7.877 8.880 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -11.597 -9.287 8.744 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -11.929 -8.012 7.588 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -10.492 -11.655 7.376 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -13.073 -11.100 4.034 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -11.603 -12.810 5.292 1.00 0.00 H new ATOM 1352 N ASP A 91 -8.155 -9.466 9.264 1.00 0.00 N ATOM 1353 CA ASP A 91 -7.329 -10.589 9.668 1.00 0.00 C ATOM 1354 C ASP A 91 -8.271 -11.809 9.633 1.00 0.00 C ATOM 1355 O ASP A 91 -9.315 -11.845 10.286 1.00 0.00 O ATOM 1356 CB ASP A 91 -6.739 -10.229 11.038 1.00 0.00 C ATOM 1357 CG ASP A 91 -5.644 -11.220 11.364 1.00 0.00 C ATOM 1358 OD1 ASP A 91 -4.691 -11.202 10.564 1.00 0.00 O ATOM 1359 OD2 ASP A 91 -5.724 -11.973 12.352 1.00 0.00 O ATOM 0 H ASP A 91 -8.286 -8.761 9.990 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.475 -10.822 9.033 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -6.340 -9.215 11.024 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -7.515 -10.256 11.803 1.00 0.00 H new ATOM 1364 N TYR A 92 -8.034 -12.698 8.668 1.00 0.00 N ATOM 1365 CA TYR A 92 -8.651 -14.016 8.522 1.00 0.00 C ATOM 1366 C TYR A 92 -8.803 -14.682 9.917 1.00 0.00 C ATOM 1367 O TYR A 92 -7.942 -14.631 10.782 1.00 0.00 O ATOM 1368 CB TYR A 92 -7.863 -14.819 7.450 1.00 0.00 C ATOM 1369 CG TYR A 92 -8.237 -16.297 7.382 1.00 0.00 C ATOM 1370 CD1 TYR A 92 -9.586 -16.727 7.407 1.00 0.00 C ATOM 1371 CD2 TYR A 92 -7.215 -17.274 7.437 1.00 0.00 C ATOM 1372 CE1 TYR A 92 -9.864 -18.114 7.512 1.00 0.00 C ATOM 1373 CE2 TYR A 92 -7.530 -18.654 7.410 1.00 0.00 C ATOM 1374 CZ TYR A 92 -8.864 -19.085 7.355 1.00 0.00 C ATOM 1375 OH TYR A 92 -9.202 -20.366 7.051 1.00 0.00 O ATOM 0 H TYR A 92 -7.365 -12.505 7.922 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.672 -13.962 8.144 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.034 -14.366 6.473 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -6.796 -14.734 7.658 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.391 -16.010 7.347 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.183 -16.963 7.500 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.875 -18.432 7.719 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -6.734 -19.384 7.432 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.129 -20.393 6.733 1.00 0.00 H new ATOM 1385 N LYS A 93 -9.890 -15.396 10.161 1.00 0.00 N ATOM 1386 CA LYS A 93 -10.004 -16.230 11.366 1.00 0.00 C ATOM 1387 C LYS A 93 -9.239 -17.554 11.214 1.00 0.00 C ATOM 1388 O LYS A 93 -9.821 -18.634 11.249 1.00 0.00 O ATOM 1389 CB LYS A 93 -11.461 -16.375 11.736 1.00 0.00 C ATOM 1390 CG LYS A 93 -12.304 -16.679 10.485 1.00 0.00 C ATOM 1391 CD LYS A 93 -13.666 -17.207 10.865 1.00 0.00 C ATOM 1392 CE LYS A 93 -14.559 -16.124 11.425 1.00 0.00 C ATOM 1393 NZ LYS A 93 -14.380 -15.997 12.897 1.00 0.00 N ATOM 0 H LYS A 93 -10.706 -15.421 9.550 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.516 -15.741 12.210 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -11.580 -17.176 12.466 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -11.816 -15.459 12.208 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -12.415 -15.774 9.888 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -11.787 -17.410 9.863 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -14.140 -17.650 9.989 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -13.554 -18.001 11.603 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -14.330 -15.173 10.943 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -15.601 -16.353 11.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -15.310 -15.908 13.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -13.895 -16.841 13.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -13.810 -15.153 13.106 1.00 0.00 H new ATOM 1407 N PHE A 94 -7.925 -17.441 11.035 1.00 0.00 N ATOM 1408 CA PHE A 94 -6.978 -18.557 11.073 1.00 0.00 C ATOM 1409 C PHE A 94 -6.768 -19.128 12.473 1.00 0.00 C ATOM 1410 O PHE A 94 -6.519 -20.319 12.570 1.00 0.00 O ATOM 1411 CB PHE A 94 -5.633 -18.241 10.411 1.00 0.00 C ATOM 1412 CG PHE A 94 -5.008 -16.933 10.784 1.00 0.00 C ATOM 1413 CD1 PHE A 94 -5.457 -15.787 10.101 1.00 0.00 C ATOM 1414 CD2 PHE A 94 -4.061 -16.826 11.823 1.00 0.00 C ATOM 1415 CE1 PHE A 94 -5.005 -14.506 10.437 1.00 0.00 C ATOM 1416 CE2 PHE A 94 -3.586 -15.537 12.162 1.00 0.00 C ATOM 1417 CZ PHE A 94 -4.049 -14.386 11.468 1.00 0.00 C ATOM 0 H PHE A 94 -7.474 -16.544 10.854 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.458 -19.331 10.475 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.933 -19.039 10.658 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.770 -18.260 9.330 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.169 -15.899 9.297 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -3.708 -17.703 12.345 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -5.378 -13.633 9.921 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -2.863 -15.426 12.957 1.00 0.00 H new ATOM 0 HZ PHE A 94 -3.666 -13.411 11.732 1.00 0.00 H new ATOM 1427 N ASP A 95 -6.936 -18.347 13.538 1.00 0.00 N ATOM 1428 CA ASP A 95 -6.752 -18.759 14.954 1.00 0.00 C ATOM 1429 C ASP A 95 -7.945 -19.604 15.462 1.00 0.00 C ATOM 1430 O ASP A 95 -7.813 -20.673 16.057 1.00 0.00 O ATOM 1431 CB ASP A 95 -6.560 -17.450 15.733 1.00 0.00 C ATOM 1432 CG ASP A 95 -6.440 -17.772 17.216 1.00 0.00 C ATOM 1433 OD1 ASP A 95 -5.412 -18.378 17.588 1.00 0.00 O ATOM 1434 OD2 ASP A 95 -7.453 -17.539 17.910 1.00 0.00 O ATOM 0 H ASP A 95 -7.215 -17.370 13.450 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.890 -19.413 15.085 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -5.666 -16.933 15.386 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.403 -16.781 15.559 1.00 0.00 H new ATOM 1439 N SER A 96 -9.157 -19.187 15.115 1.00 0.00 N ATOM 1440 CA SER A 96 -10.384 -19.880 15.520 1.00 0.00 C ATOM 1441 C SER A 96 -10.562 -21.134 14.665 1.00 0.00 C ATOM 1442 O SER A 96 -10.781 -21.060 13.461 1.00 0.00 O ATOM 1443 CB SER A 96 -11.625 -18.990 15.385 1.00 0.00 C ATOM 1444 OG SER A 96 -11.532 -17.756 16.060 1.00 0.00 O ATOM 0 H SER A 96 -9.322 -18.358 14.544 1.00 0.00 H new ATOM 0 HA SER A 96 -10.282 -20.145 16.572 1.00 0.00 H new ATOM 0 HB2 SER A 96 -11.807 -18.799 14.327 1.00 0.00 H new ATOM 0 HB3 SER A 96 -12.490 -19.534 15.764 1.00 0.00 H new ATOM 0 HG SER A 96 -12.358 -17.246 15.926 1.00 0.00 H new ATOM 1450 N LYS A 97 -10.528 -22.318 15.282 1.00 0.00 N ATOM 1451 CA LYS A 97 -10.764 -23.604 14.557 1.00 0.00 C ATOM 1452 C LYS A 97 -12.112 -23.668 13.824 1.00 0.00 C ATOM 1453 O LYS A 97 -12.257 -24.170 12.703 1.00 0.00 O ATOM 1454 CB LYS A 97 -10.610 -24.793 15.523 1.00 0.00 C ATOM 1455 CG LYS A 97 -11.864 -25.196 16.334 1.00 0.00 C ATOM 1456 CD LYS A 97 -11.664 -26.377 17.250 1.00 0.00 C ATOM 1457 CE LYS A 97 -12.995 -26.615 17.989 1.00 0.00 C ATOM 1458 NZ LYS A 97 -12.763 -26.800 19.444 1.00 0.00 N ATOM 0 H LYS A 97 -10.341 -22.430 16.278 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.004 -23.661 13.778 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.284 -25.659 14.947 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.811 -24.559 16.226 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -12.186 -24.341 16.929 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.672 -25.424 15.639 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -11.378 -27.261 16.680 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -10.860 -26.181 17.960 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.663 -25.769 17.827 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.491 -27.495 17.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.672 -26.959 19.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -12.144 -27.622 19.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -12.310 -25.949 19.834 1.00 0.00 H new ATOM 1472 N LYS A 98 -13.135 -23.207 14.551 1.00 0.00 N ATOM 1473 CA LYS A 98 -14.531 -23.138 14.123 1.00 0.00 C ATOM 1474 C LYS A 98 -15.293 -21.982 14.818 1.00 0.00 C ATOM 1475 O LYS A 98 -15.253 -21.891 16.044 1.00 0.00 O ATOM 1476 CB LYS A 98 -15.240 -24.484 14.347 1.00 0.00 C ATOM 1477 CG LYS A 98 -16.729 -24.487 13.896 1.00 0.00 C ATOM 1478 CD LYS A 98 -17.585 -25.303 14.847 1.00 0.00 C ATOM 1479 CE LYS A 98 -19.058 -25.159 14.430 1.00 0.00 C ATOM 1480 NZ LYS A 98 -19.726 -26.481 14.304 1.00 0.00 N ATOM 0 H LYS A 98 -13.003 -22.855 15.499 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.533 -22.925 13.054 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.703 -25.262 13.805 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.189 -24.740 15.405 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.102 -23.464 13.853 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.807 -24.897 12.889 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -17.285 -26.351 14.821 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -17.447 -24.957 15.871 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -19.587 -24.553 15.166 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -19.117 -24.630 13.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -20.717 -26.343 14.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -19.237 -27.050 13.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -19.692 -26.976 15.218 1.00 0.00 H new ATOM 1494 N PRO A 99 -16.073 -21.183 14.056 1.00 0.00 N ATOM 1495 CA PRO A 99 -16.086 -21.206 12.606 1.00 0.00 C ATOM 1496 C PRO A 99 -14.749 -20.719 12.065 1.00 0.00 C ATOM 1497 O PRO A 99 -13.954 -20.119 12.779 1.00 0.00 O ATOM 1498 CB PRO A 99 -17.269 -20.399 12.154 1.00 0.00 C ATOM 1499 CG PRO A 99 -17.583 -19.468 13.330 1.00 0.00 C ATOM 1500 CD PRO A 99 -16.832 -20.044 14.539 1.00 0.00 C ATOM 0 HA PRO A 99 -16.201 -22.215 12.209 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -17.039 -19.832 11.252 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -18.119 -21.040 11.920 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -17.258 -18.449 13.118 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -18.656 -19.428 13.520 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -16.171 -19.296 14.976 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -17.530 -20.347 15.319 1.00 0.00 H new ATOM 1508 N LYS A 100 -14.519 -20.970 10.787 1.00 0.00 N ATOM 1509 CA LYS A 100 -13.337 -20.525 10.043 1.00 0.00 C ATOM 1510 C LYS A 100 -13.843 -20.154 8.651 1.00 0.00 C ATOM 1511 O LYS A 100 -14.827 -20.724 8.187 1.00 0.00 O ATOM 1512 CB LYS A 100 -12.228 -21.582 10.137 1.00 0.00 C ATOM 1513 CG LYS A 100 -12.241 -22.561 8.971 1.00 0.00 C ATOM 1514 CD LYS A 100 -11.168 -23.636 9.110 1.00 0.00 C ATOM 1515 CE LYS A 100 -11.477 -24.982 8.491 1.00 0.00 C ATOM 1516 NZ LYS A 100 -12.749 -25.488 9.032 1.00 0.00 N ATOM 0 H LYS A 100 -15.169 -21.507 10.213 1.00 0.00 H new ATOM 0 HA LYS A 100 -12.846 -19.640 10.448 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -11.260 -21.083 10.175 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -12.338 -22.135 11.070 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -13.221 -23.034 8.907 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -12.089 -22.016 8.039 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.247 -23.259 8.665 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.971 -23.786 10.171 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -11.541 -24.890 7.407 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.673 -25.686 8.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -12.759 -26.527 8.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -12.849 -25.188 10.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -13.540 -25.107 8.474 1.00 0.00 H new ATOM 1530 N GLU A 101 -13.233 -19.147 8.050 1.00 0.00 N ATOM 1531 CA GLU A 101 -13.478 -18.744 6.650 1.00 0.00 C ATOM 1532 C GLU A 101 -12.949 -19.788 5.655 1.00 0.00 C ATOM 1533 O GLU A 101 -12.225 -20.712 6.030 1.00 0.00 O ATOM 1534 CB GLU A 101 -12.803 -17.384 6.380 1.00 0.00 C ATOM 1535 CG GLU A 101 -13.582 -16.440 5.484 1.00 0.00 C ATOM 1536 CD GLU A 101 -13.156 -14.968 5.725 1.00 0.00 C ATOM 1537 OE1 GLU A 101 -11.955 -14.665 5.928 1.00 0.00 O ATOM 1538 OE2 GLU A 101 -14.061 -14.119 5.810 1.00 0.00 O ATOM 0 H GLU A 101 -12.538 -18.567 8.519 1.00 0.00 H new ATOM 0 HA GLU A 101 -14.556 -18.664 6.508 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.626 -16.889 7.335 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.827 -17.564 5.929 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.416 -16.704 4.440 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.650 -16.549 5.675 1.00 0.00 H new ATOM 1545 N ASN A 102 -13.246 -19.591 4.376 1.00 0.00 N ATOM 1546 CA ASN A 102 -12.842 -20.520 3.326 1.00 0.00 C ATOM 1547 C ASN A 102 -11.806 -19.809 2.409 1.00 0.00 C ATOM 1548 O ASN A 102 -12.037 -18.681 1.983 1.00 0.00 O ATOM 1549 CB ASN A 102 -14.102 -21.062 2.652 1.00 0.00 C ATOM 1550 CG ASN A 102 -13.858 -22.399 1.978 1.00 0.00 C ATOM 1551 OD1 ASN A 102 -13.146 -23.280 2.434 1.00 0.00 O ATOM 1552 ND2 ASN A 102 -14.458 -22.612 0.851 1.00 0.00 N ATOM 0 H ASN A 102 -13.772 -18.785 4.038 1.00 0.00 H new ATOM 0 HA ASN A 102 -12.322 -21.403 3.697 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -14.892 -21.170 3.395 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -14.455 -20.343 1.913 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -14.331 -23.500 0.365 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -15.058 -21.892 0.449 1.00 0.00 H new ATOM 1559 N PRO A 103 -10.620 -20.387 2.156 1.00 0.00 N ATOM 1560 CA PRO A 103 -9.677 -19.956 1.134 1.00 0.00 C ATOM 1561 C PRO A 103 -10.199 -20.368 -0.271 1.00 0.00 C ATOM 1562 O PRO A 103 -11.374 -20.606 -0.495 1.00 0.00 O ATOM 1563 CB PRO A 103 -8.340 -20.598 1.545 1.00 0.00 C ATOM 1564 CG PRO A 103 -8.801 -21.844 2.291 1.00 0.00 C ATOM 1565 CD PRO A 103 -10.208 -21.645 2.707 1.00 0.00 C ATOM 0 HA PRO A 103 -9.550 -18.876 1.062 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -7.724 -20.845 0.681 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -7.749 -19.938 2.180 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -8.715 -22.723 1.652 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -8.169 -22.020 3.162 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -10.839 -22.455 2.341 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -10.295 -21.640 3.794 1.00 0.00 H new ATOM 1573 N GLY A 104 -9.297 -20.403 -1.246 1.00 0.00 N ATOM 1574 CA GLY A 104 -9.585 -20.400 -2.690 1.00 0.00 C ATOM 1575 C GLY A 104 -9.121 -19.099 -3.383 1.00 0.00 C ATOM 1576 O GLY A 104 -8.571 -19.261 -4.460 1.00 0.00 O ATOM 0 H GLY A 104 -8.297 -20.436 -1.050 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -9.092 -21.253 -3.157 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -10.657 -20.528 -2.844 1.00 0.00 H new ATOM 1580 N PRO A 105 -9.227 -17.840 -2.863 1.00 0.00 N ATOM 1581 CA PRO A 105 -8.732 -16.636 -3.531 1.00 0.00 C ATOM 1582 C PRO A 105 -7.194 -16.562 -3.547 1.00 0.00 C ATOM 1583 O PRO A 105 -6.456 -17.531 -3.312 1.00 0.00 O ATOM 1584 CB PRO A 105 -9.428 -15.439 -2.846 1.00 0.00 C ATOM 1585 CG PRO A 105 -9.852 -15.945 -1.485 1.00 0.00 C ATOM 1586 CD PRO A 105 -9.778 -17.434 -1.580 1.00 0.00 C ATOM 0 HA PRO A 105 -8.982 -16.636 -4.592 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -8.751 -14.590 -2.756 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -10.288 -15.101 -3.425 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -9.194 -15.567 -0.702 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -10.862 -15.616 -1.240 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -9.159 -17.825 -0.773 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -10.773 -17.861 -1.454 1.00 0.00 H new ATOM 1594 N ALA A 106 -6.683 -15.366 -3.823 1.00 0.00 N ATOM 1595 CA ALA A 106 -5.262 -15.132 -3.639 1.00 0.00 C ATOM 1596 C ALA A 106 -4.819 -15.252 -2.179 1.00 0.00 C ATOM 1597 O ALA A 106 -5.555 -15.075 -1.203 1.00 0.00 O ATOM 1598 CB ALA A 106 -4.842 -13.742 -4.118 1.00 0.00 C ATOM 0 H ALA A 106 -7.217 -14.567 -4.165 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.781 -15.908 -4.235 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -3.771 -13.611 -3.961 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.068 -13.639 -5.179 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -5.387 -12.983 -3.556 1.00 0.00 H new ATOM 1604 N ARG A 107 -3.515 -15.443 -2.075 1.00 0.00 N ATOM 1605 CA ARG A 107 -2.743 -15.593 -0.855 1.00 0.00 C ATOM 1606 C ARG A 107 -1.380 -14.961 -1.002 1.00 0.00 C ATOM 1607 O ARG A 107 -0.857 -14.933 -2.097 1.00 0.00 O ATOM 1608 CB ARG A 107 -2.623 -17.098 -0.576 1.00 0.00 C ATOM 1609 CG ARG A 107 -4.005 -17.657 -0.194 1.00 0.00 C ATOM 1610 CD ARG A 107 -3.978 -18.706 0.904 1.00 0.00 C ATOM 1611 NE ARG A 107 -4.644 -19.908 0.443 1.00 0.00 N ATOM 1612 CZ ARG A 107 -4.251 -20.686 -0.530 1.00 0.00 C ATOM 1613 NH1 ARG A 107 -3.257 -20.398 -1.293 1.00 0.00 N ATOM 1614 NH2 ARG A 107 -4.825 -21.811 -0.678 1.00 0.00 N ATOM 0 H ARG A 107 -2.925 -15.502 -2.905 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.237 -15.089 -0.024 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -2.241 -17.613 -1.457 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.911 -17.274 0.230 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -4.641 -16.832 0.125 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -4.466 -18.090 -1.082 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -2.948 -18.932 1.180 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -4.471 -18.324 1.798 1.00 0.00 H new ATOM 0 HE ARG A 107 -5.503 -20.172 0.925 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -2.739 -19.531 -1.151 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -2.986 -21.037 -2.041 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -5.575 -22.088 -0.044 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -4.536 -22.436 -1.430 1.00 0.00 H new ATOM 1628 N VAL A 108 -0.800 -14.507 0.099 1.00 0.00 N ATOM 1629 CA VAL A 108 0.586 -13.975 0.232 1.00 0.00 C ATOM 1630 C VAL A 108 1.587 -15.069 0.515 1.00 0.00 C ATOM 1631 O VAL A 108 1.451 -15.827 1.465 1.00 0.00 O ATOM 1632 CB VAL A 108 0.677 -12.930 1.354 1.00 0.00 C ATOM 1633 CG1 VAL A 108 0.118 -13.408 2.713 1.00 0.00 C ATOM 1634 CG2 VAL A 108 2.097 -12.355 1.445 1.00 0.00 C ATOM 0 H VAL A 108 -1.299 -14.491 0.989 1.00 0.00 H new ATOM 0 HA VAL A 108 0.826 -13.512 -0.725 1.00 0.00 H new ATOM 0 HB VAL A 108 0.008 -12.115 1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.221 -12.611 3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.935 -13.667 2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.674 -14.284 3.047 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.140 -11.617 2.246 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.802 -13.159 1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.359 -11.880 0.499 1.00 0.00 H new ATOM 1644 N ILE A 109 2.562 -15.202 -0.365 1.00 0.00 N ATOM 1645 CA ILE A 109 3.510 -16.311 -0.347 1.00 0.00 C ATOM 1646 C ILE A 109 4.847 -15.729 0.013 1.00 0.00 C ATOM 1647 O ILE A 109 5.334 -14.768 -0.589 1.00 0.00 O ATOM 1648 CB ILE A 109 3.501 -17.020 -1.696 1.00 0.00 C ATOM 1649 CG1 ILE A 109 2.396 -18.096 -1.765 1.00 0.00 C ATOM 1650 CG2 ILE A 109 4.800 -17.772 -1.898 1.00 0.00 C ATOM 1651 CD1 ILE A 109 0.996 -17.570 -1.497 1.00 0.00 C ATOM 0 H ILE A 109 2.723 -14.538 -1.122 1.00 0.00 H new ATOM 0 HA ILE A 109 3.248 -17.073 0.387 1.00 0.00 H new ATOM 0 HB ILE A 109 3.344 -16.246 -2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 109 2.416 -18.558 -2.752 1.00 0.00 H new ATOM 0 HG13 ILE A 109 2.622 -18.880 -1.042 1.00 0.00 H new ATOM 0 HG21 ILE A 109 4.783 -18.275 -2.865 1.00 0.00 H new ATOM 0 HG22 ILE A 109 5.634 -17.071 -1.868 1.00 0.00 H new ATOM 0 HG23 ILE A 109 4.919 -18.512 -1.106 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.280 -18.389 -1.565 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.956 -17.135 -0.498 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.746 -16.808 -2.235 1.00 0.00 H new ATOM 1663 N TYR A 110 5.440 -16.321 1.019 1.00 0.00 N ATOM 1664 CA TYR A 110 6.700 -15.845 1.531 1.00 0.00 C ATOM 1665 C TYR A 110 7.481 -17.042 1.991 1.00 0.00 C ATOM 1666 O TYR A 110 6.904 -18.084 2.267 1.00 0.00 O ATOM 1667 CB TYR A 110 6.388 -14.877 2.657 1.00 0.00 C ATOM 1668 CG TYR A 110 5.581 -15.490 3.793 1.00 0.00 C ATOM 1669 CD1 TYR A 110 6.206 -16.389 4.674 1.00 0.00 C ATOM 1670 CD2 TYR A 110 4.217 -15.189 3.996 1.00 0.00 C ATOM 1671 CE1 TYR A 110 5.547 -16.929 5.769 1.00 0.00 C ATOM 1672 CE2 TYR A 110 3.530 -15.755 5.096 1.00 0.00 C ATOM 1673 CZ TYR A 110 4.201 -16.592 6.025 1.00 0.00 C ATOM 1674 OH TYR A 110 3.601 -17.023 7.160 1.00 0.00 O ATOM 0 H TYR A 110 5.068 -17.138 1.502 1.00 0.00 H new ATOM 0 HA TYR A 110 7.300 -15.320 0.788 1.00 0.00 H new ATOM 0 HB2 TYR A 110 7.324 -14.488 3.058 1.00 0.00 H new ATOM 0 HB3 TYR A 110 5.838 -14.028 2.251 1.00 0.00 H new ATOM 0 HD1 TYR A 110 7.233 -16.669 4.493 1.00 0.00 H new ATOM 0 HD2 TYR A 110 3.700 -14.530 3.315 1.00 0.00 H new ATOM 0 HE1 TYR A 110 6.066 -17.610 6.428 1.00 0.00 H new ATOM 0 HE2 TYR A 110 2.479 -15.547 5.231 1.00 0.00 H new ATOM 0 HH TYR A 110 2.675 -16.702 7.183 1.00 0.00 H new ATOM 1684 N THR A 111 8.790 -16.892 2.031 1.00 0.00 N ATOM 1685 CA THR A 111 9.735 -17.926 2.531 1.00 0.00 C ATOM 1686 C THR A 111 9.844 -17.918 4.031 1.00 0.00 C ATOM 1687 O THR A 111 9.466 -16.923 4.637 1.00 0.00 O ATOM 1688 CB THR A 111 11.119 -17.758 1.920 1.00 0.00 C ATOM 1689 OG1 THR A 111 11.972 -16.870 2.565 1.00 0.00 O ATOM 1690 CG2 THR A 111 10.986 -17.322 0.484 1.00 0.00 C ATOM 0 H THR A 111 9.256 -16.041 1.716 1.00 0.00 H new ATOM 0 HA THR A 111 9.324 -18.888 2.223 1.00 0.00 H new ATOM 0 HB THR A 111 11.580 -18.740 2.025 1.00 0.00 H new ATOM 0 HG1 THR A 111 12.830 -16.839 2.093 1.00 0.00 H new ATOM 0 HG21 THR A 111 11.977 -17.202 0.047 1.00 0.00 H new ATOM 0 HG22 THR A 111 10.432 -18.076 -0.075 1.00 0.00 H new ATOM 0 HG23 THR A 111 10.453 -16.372 0.440 1.00 0.00 H new ATOM 1698 N TYR A 112 10.406 -18.972 4.630 1.00 0.00 N ATOM 1699 CA TYR A 112 10.631 -18.977 6.085 1.00 0.00 C ATOM 1700 C TYR A 112 12.138 -18.879 6.459 1.00 0.00 C ATOM 1701 O TYR A 112 13.017 -19.286 5.682 1.00 0.00 O ATOM 1702 CB TYR A 112 9.848 -20.129 6.729 1.00 0.00 C ATOM 1703 CG TYR A 112 10.172 -20.611 8.119 1.00 0.00 C ATOM 1704 CD1 TYR A 112 11.430 -21.193 8.333 1.00 0.00 C ATOM 1705 CD2 TYR A 112 9.242 -20.548 9.180 1.00 0.00 C ATOM 1706 CE1 TYR A 112 11.888 -21.457 9.620 1.00 0.00 C ATOM 1707 CE2 TYR A 112 9.715 -20.768 10.493 1.00 0.00 C ATOM 1708 CZ TYR A 112 11.093 -21.053 10.720 1.00 0.00 C ATOM 1709 OH TYR A 112 11.607 -21.020 11.968 1.00 0.00 O ATOM 0 H TYR A 112 10.709 -19.817 4.146 1.00 0.00 H new ATOM 0 HA TYR A 112 10.224 -18.065 6.522 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.797 -19.839 6.730 1.00 0.00 H new ATOM 0 HB3 TYR A 112 9.941 -20.988 6.064 1.00 0.00 H new ATOM 0 HD1 TYR A 112 12.053 -21.440 7.486 1.00 0.00 H new ATOM 0 HD2 TYR A 112 8.199 -20.338 8.993 1.00 0.00 H new ATOM 0 HE1 TYR A 112 12.831 -21.960 9.777 1.00 0.00 H new ATOM 0 HE2 TYR A 112 9.031 -20.720 11.327 1.00 0.00 H new ATOM 0 HH TYR A 112 11.139 -21.671 12.532 1.00 0.00 H new ATOM 1719 N PRO A 113 12.455 -18.444 7.697 1.00 0.00 N ATOM 1720 CA PRO A 113 11.570 -17.756 8.615 1.00 0.00 C ATOM 1721 C PRO A 113 11.286 -16.383 8.080 1.00 0.00 C ATOM 1722 O PRO A 113 10.126 -16.032 7.929 1.00 0.00 O ATOM 1723 CB PRO A 113 12.209 -17.728 9.977 1.00 0.00 C ATOM 1724 CG PRO A 113 13.685 -18.034 9.713 1.00 0.00 C ATOM 1725 CD PRO A 113 13.757 -18.607 8.288 1.00 0.00 C ATOM 0 HA PRO A 113 10.615 -18.273 8.711 1.00 0.00 H new ATOM 0 HB2 PRO A 113 12.084 -16.756 10.454 1.00 0.00 H new ATOM 0 HB3 PRO A 113 11.762 -18.469 10.640 1.00 0.00 H new ATOM 0 HG2 PRO A 113 14.291 -17.132 9.801 1.00 0.00 H new ATOM 0 HG3 PRO A 113 14.070 -18.749 10.440 1.00 0.00 H new ATOM 0 HD2 PRO A 113 14.514 -18.086 7.702 1.00 0.00 H new ATOM 0 HD3 PRO A 113 14.040 -19.659 8.310 1.00 0.00 H new ATOM 1733 N ASN A 114 12.333 -15.624 7.762 1.00 0.00 N ATOM 1734 CA ASN A 114 12.225 -14.288 7.170 1.00 0.00 C ATOM 1735 C ASN A 114 11.156 -14.286 6.057 1.00 0.00 C ATOM 1736 O ASN A 114 11.372 -14.898 5.018 1.00 0.00 O ATOM 1737 CB ASN A 114 13.606 -13.888 6.597 1.00 0.00 C ATOM 1738 CG ASN A 114 13.744 -12.381 6.632 1.00 0.00 C ATOM 1739 OD1 ASN A 114 13.369 -11.699 7.567 1.00 0.00 O ATOM 1740 ND2 ASN A 114 14.226 -11.782 5.583 1.00 0.00 N ATOM 0 H ASN A 114 13.297 -15.923 7.910 1.00 0.00 H new ATOM 0 HA ASN A 114 11.923 -13.567 7.930 1.00 0.00 H new ATOM 0 HB2 ASN A 114 14.402 -14.351 7.179 1.00 0.00 H new ATOM 0 HB3 ASN A 114 13.707 -14.250 5.574 1.00 0.00 H new ATOM 0 HD21 ASN A 114 14.283 -10.764 5.558 1.00 0.00 H new ATOM 0 HD22 ASN A 114 14.547 -12.330 4.785 1.00 0.00 H new ATOM 1747 N LYS A 115 9.998 -13.643 6.287 1.00 0.00 N ATOM 1748 CA LYS A 115 8.831 -13.517 5.385 1.00 0.00 C ATOM 1749 C LYS A 115 9.251 -12.659 4.209 1.00 0.00 C ATOM 1750 O LYS A 115 9.006 -11.459 4.159 1.00 0.00 O ATOM 1751 CB LYS A 115 7.622 -12.841 6.102 1.00 0.00 C ATOM 1752 CG LYS A 115 6.612 -13.877 6.565 1.00 0.00 C ATOM 1753 CD LYS A 115 5.868 -13.662 7.859 1.00 0.00 C ATOM 1754 CE LYS A 115 6.951 -13.649 8.947 1.00 0.00 C ATOM 1755 NZ LYS A 115 6.999 -12.346 9.616 1.00 0.00 N ATOM 0 H LYS A 115 9.838 -13.161 7.172 1.00 0.00 H new ATOM 0 HA LYS A 115 8.515 -14.511 5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 115 7.977 -12.267 6.958 1.00 0.00 H new ATOM 0 HB3 LYS A 115 7.140 -12.137 5.424 1.00 0.00 H new ATOM 0 HG2 LYS A 115 5.869 -13.985 5.775 1.00 0.00 H new ATOM 0 HG3 LYS A 115 7.134 -14.830 6.643 1.00 0.00 H new ATOM 0 HD2 LYS A 115 5.314 -12.724 7.844 1.00 0.00 H new ATOM 0 HD3 LYS A 115 5.143 -14.457 8.034 1.00 0.00 H new ATOM 0 HE2 LYS A 115 6.748 -14.431 9.678 1.00 0.00 H new ATOM 0 HE3 LYS A 115 7.922 -13.871 8.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 7.738 -12.359 10.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 7.215 -11.605 8.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.078 -12.148 10.057 1.00 0.00 H new ATOM 1769 N VAL A 116 10.025 -13.278 3.339 1.00 0.00 N ATOM 1770 CA VAL A 116 10.656 -12.696 2.151 1.00 0.00 C ATOM 1771 C VAL A 116 9.538 -12.822 1.135 1.00 0.00 C ATOM 1772 O VAL A 116 9.380 -13.828 0.437 1.00 0.00 O ATOM 1773 CB VAL A 116 11.898 -13.446 1.647 1.00 0.00 C ATOM 1774 CG1 VAL A 116 12.350 -12.822 0.299 1.00 0.00 C ATOM 1775 CG2 VAL A 116 13.038 -13.551 2.690 1.00 0.00 C ATOM 0 H VAL A 116 10.250 -14.267 3.443 1.00 0.00 H new ATOM 0 HA VAL A 116 11.029 -11.691 2.346 1.00 0.00 H new ATOM 0 HB VAL A 116 11.621 -14.487 1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 116 13.232 -13.348 -0.068 1.00 0.00 H new ATOM 0 HG12 VAL A 116 11.545 -12.910 -0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 116 12.591 -11.769 0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 116 13.878 -14.094 2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 116 13.362 -12.551 2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 116 12.678 -14.082 3.571 1.00 0.00 H new ATOM 1785 N PHE A 117 8.626 -11.871 1.302 1.00 0.00 N ATOM 1786 CA PHE A 117 7.452 -11.591 0.516 1.00 0.00 C ATOM 1787 C PHE A 117 7.897 -11.763 -0.929 1.00 0.00 C ATOM 1788 O PHE A 117 8.752 -11.040 -1.441 1.00 0.00 O ATOM 1789 CB PHE A 117 6.938 -10.191 0.877 1.00 0.00 C ATOM 1790 CG PHE A 117 5.795 -9.780 0.023 1.00 0.00 C ATOM 1791 CD1 PHE A 117 6.028 -9.458 -1.341 1.00 0.00 C ATOM 1792 CD2 PHE A 117 4.498 -9.754 0.583 1.00 0.00 C ATOM 1793 CE1 PHE A 117 4.954 -9.239 -2.179 1.00 0.00 C ATOM 1794 CE2 PHE A 117 3.437 -9.406 -0.253 1.00 0.00 C ATOM 1795 CZ PHE A 117 3.660 -9.207 -1.640 1.00 0.00 C ATOM 0 H PHE A 117 8.710 -11.213 2.077 1.00 0.00 H new ATOM 0 HA PHE A 117 6.606 -12.253 0.701 1.00 0.00 H new ATOM 0 HB2 PHE A 117 6.633 -10.176 1.923 1.00 0.00 H new ATOM 0 HB3 PHE A 117 7.748 -9.469 0.771 1.00 0.00 H new ATOM 0 HD1 PHE A 117 7.037 -9.385 -1.719 1.00 0.00 H new ATOM 0 HD2 PHE A 117 4.334 -9.995 1.623 1.00 0.00 H new ATOM 0 HE1 PHE A 117 5.108 -9.094 -3.238 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.444 -9.288 0.156 1.00 0.00 H new ATOM 0 HZ PHE A 117 2.818 -9.028 -2.292 1.00 0.00 H new ATOM 1805 N CYS A 118 7.346 -12.772 -1.573 1.00 0.00 N ATOM 1806 CA CYS A 118 7.597 -12.983 -2.976 1.00 0.00 C ATOM 1807 C CYS A 118 6.539 -12.340 -3.875 1.00 0.00 C ATOM 1808 O CYS A 118 6.830 -11.789 -4.937 1.00 0.00 O ATOM 1809 CB CYS A 118 7.754 -14.485 -3.149 1.00 0.00 C ATOM 1810 SG CYS A 118 9.477 -14.724 -3.619 1.00 0.00 S ATOM 0 H CYS A 118 6.723 -13.456 -1.144 1.00 0.00 H new ATOM 0 HA CYS A 118 8.507 -12.480 -3.301 1.00 0.00 H new ATOM 0 HB2 CYS A 118 7.520 -15.015 -2.226 1.00 0.00 H new ATOM 0 HB3 CYS A 118 7.079 -14.866 -3.916 1.00 0.00 H new ATOM 1815 N GLY A 119 5.300 -12.409 -3.414 1.00 0.00 N ATOM 1816 CA GLY A 119 4.130 -11.885 -4.081 1.00 0.00 C ATOM 1817 C GLY A 119 2.856 -12.460 -3.506 1.00 0.00 C ATOM 1818 O GLY A 119 2.828 -13.086 -2.448 1.00 0.00 O ATOM 0 H GLY A 119 5.078 -12.853 -2.523 1.00 0.00 H new ATOM 0 HA2 GLY A 119 4.114 -10.799 -3.988 1.00 0.00 H new ATOM 0 HA3 GLY A 119 4.185 -12.113 -5.145 1.00 0.00 H new ATOM 1822 N ILE A 120 1.768 -12.207 -4.209 1.00 0.00 N ATOM 1823 CA ILE A 120 0.455 -12.739 -3.860 1.00 0.00 C ATOM 1824 C ILE A 120 0.142 -13.643 -5.002 1.00 0.00 C ATOM 1825 O ILE A 120 0.199 -13.204 -6.131 1.00 0.00 O ATOM 1826 CB ILE A 120 -0.574 -11.601 -3.647 1.00 0.00 C ATOM 1827 CG1 ILE A 120 -0.442 -11.116 -2.194 1.00 0.00 C ATOM 1828 CG2 ILE A 120 -2.044 -11.941 -3.769 1.00 0.00 C ATOM 1829 CD1 ILE A 120 0.703 -10.154 -2.107 1.00 0.00 C ATOM 0 H ILE A 120 1.766 -11.623 -5.045 1.00 0.00 H new ATOM 0 HA ILE A 120 0.427 -13.277 -2.912 1.00 0.00 H new ATOM 0 HB ILE A 120 -0.332 -10.896 -4.443 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -1.365 -10.634 -1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -0.275 -11.962 -1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -2.640 -11.045 -3.594 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -2.247 -12.323 -4.769 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -2.304 -12.700 -3.031 1.00 0.00 H new ATOM 0 HD11 ILE A 120 0.806 -9.803 -1.080 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.622 -10.653 -2.414 1.00 0.00 H new ATOM 0 HD13 ILE A 120 0.515 -9.304 -2.764 1.00 0.00 H new ATOM 1841 N ILE A 121 -0.067 -14.917 -4.757 1.00 0.00 N ATOM 1842 CA ILE A 121 -0.540 -15.857 -5.786 1.00 0.00 C ATOM 1843 C ILE A 121 -2.065 -15.878 -5.788 1.00 0.00 C ATOM 1844 O ILE A 121 -2.633 -15.737 -4.724 1.00 0.00 O ATOM 1845 CB ILE A 121 -0.009 -17.271 -5.445 1.00 0.00 C ATOM 1846 CG1 ILE A 121 -0.819 -17.952 -4.311 1.00 0.00 C ATOM 1847 CG2 ILE A 121 1.519 -17.145 -5.155 1.00 0.00 C ATOM 1848 CD1 ILE A 121 -0.298 -19.351 -4.032 1.00 0.00 C ATOM 0 H ILE A 121 0.082 -15.345 -3.843 1.00 0.00 H new ATOM 0 HA ILE A 121 -0.181 -15.549 -6.768 1.00 0.00 H new ATOM 0 HB ILE A 121 -0.148 -17.945 -6.291 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -0.758 -17.350 -3.404 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -1.871 -18.001 -4.591 1.00 0.00 H new ATOM 0 HG21 ILE A 121 1.925 -18.127 -4.911 1.00 0.00 H new ATOM 0 HG22 ILE A 121 2.025 -16.752 -6.037 1.00 0.00 H new ATOM 0 HG23 ILE A 121 1.675 -16.468 -4.315 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -0.884 -19.805 -3.233 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -0.383 -19.957 -4.934 1.00 0.00 H new ATOM 0 HD13 ILE A 121 0.748 -19.296 -3.729 1.00 0.00 H new ATOM 1860 N ALA A 122 -2.756 -16.196 -6.884 1.00 0.00 N ATOM 1861 CA ALA A 122 -4.230 -16.408 -6.949 1.00 0.00 C ATOM 1862 C ALA A 122 -4.672 -17.174 -8.185 1.00 0.00 C ATOM 1863 O ALA A 122 -3.982 -17.243 -9.203 1.00 0.00 O ATOM 1864 CB ALA A 122 -5.006 -15.112 -7.016 1.00 0.00 C ATOM 0 H ALA A 122 -2.303 -16.321 -7.789 1.00 0.00 H new ATOM 0 HA ALA A 122 -4.438 -16.964 -6.035 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -6.073 -15.329 -7.062 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -4.795 -14.515 -6.129 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -4.710 -14.556 -7.906 1.00 0.00 H new ATOM 2011 N LYS A 132 -1.321 -19.220 -9.676 1.00 0.00 N ATOM 2012 CA LYS A 132 -0.161 -18.486 -10.220 1.00 0.00 C ATOM 2013 C LYS A 132 0.077 -17.213 -9.436 1.00 0.00 C ATOM 2014 O LYS A 132 -0.789 -16.832 -8.673 1.00 0.00 O ATOM 2015 CB LYS A 132 -0.430 -18.176 -11.690 1.00 0.00 C ATOM 2016 CG LYS A 132 -1.755 -17.406 -11.943 1.00 0.00 C ATOM 2017 CD LYS A 132 -1.545 -16.036 -12.581 1.00 0.00 C ATOM 2018 CE LYS A 132 -1.713 -16.148 -14.100 1.00 0.00 C ATOM 2019 NZ LYS A 132 -0.501 -16.677 -14.770 1.00 0.00 N ATOM 0 HA LYS A 132 0.738 -19.097 -10.134 1.00 0.00 H new ATOM 0 HB2 LYS A 132 0.400 -17.589 -12.084 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -0.453 -19.111 -12.249 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -2.398 -18.005 -12.588 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -2.281 -17.281 -10.997 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -2.262 -15.321 -12.177 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -0.550 -15.660 -12.341 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -2.559 -16.798 -14.321 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -1.950 -15.166 -14.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -0.667 -16.733 -15.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 0.303 -16.044 -14.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -0.287 -17.626 -14.402 1.00 0.00 H new ATOM 2033 N LEU A 133 1.204 -16.545 -9.630 1.00 0.00 N ATOM 2034 CA LEU A 133 1.491 -15.245 -8.985 1.00 0.00 C ATOM 2035 C LEU A 133 0.632 -14.141 -9.608 1.00 0.00 C ATOM 2036 O LEU A 133 0.449 -14.125 -10.817 1.00 0.00 O ATOM 2037 CB LEU A 133 2.979 -14.910 -9.117 1.00 0.00 C ATOM 2038 CG LEU A 133 3.459 -13.839 -8.096 1.00 0.00 C ATOM 2039 CD1 LEU A 133 3.442 -14.391 -6.652 1.00 0.00 C ATOM 2040 CD2 LEU A 133 4.896 -13.514 -8.479 1.00 0.00 C ATOM 0 H LEU A 133 1.954 -16.877 -10.236 1.00 0.00 H new ATOM 0 HA LEU A 133 1.244 -15.315 -7.926 1.00 0.00 H new ATOM 0 HB2 LEU A 133 3.563 -15.820 -8.981 1.00 0.00 H new ATOM 0 HB3 LEU A 133 3.176 -14.553 -10.128 1.00 0.00 H new ATOM 0 HG LEU A 133 2.805 -12.967 -8.123 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.783 -13.618 -5.963 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.427 -14.690 -6.389 1.00 0.00 H new ATOM 0 HD13 LEU A 133 4.104 -15.254 -6.585 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.294 -12.763 -7.796 1.00 0.00 H new ATOM 0 HD22 LEU A 133 5.502 -14.418 -8.418 1.00 0.00 H new ATOM 0 HD23 LEU A 133 4.923 -13.128 -9.498 1.00 0.00 H new ATOM 2052 N CYS A 134 0.158 -13.192 -8.814 1.00 0.00 N ATOM 2053 CA CYS A 134 -0.423 -11.919 -9.257 1.00 0.00 C ATOM 2054 C CYS A 134 0.602 -10.977 -9.865 1.00 0.00 C ATOM 2055 O CYS A 134 1.804 -11.214 -9.956 1.00 0.00 O ATOM 2056 CB CYS A 134 -1.112 -11.252 -8.044 1.00 0.00 C ATOM 2057 SG CYS A 134 -2.485 -12.210 -7.405 1.00 0.00 S ATOM 0 H CYS A 134 0.165 -13.286 -7.798 1.00 0.00 H new ATOM 0 HA CYS A 134 -1.143 -12.131 -10.047 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -0.378 -11.106 -7.251 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -1.469 -10.264 -8.334 1.00 0.00 H new ATOM 2062 N SER A 135 0.075 -9.841 -10.270 1.00 0.00 N ATOM 2063 CA SER A 135 0.853 -8.791 -10.901 1.00 0.00 C ATOM 2064 C SER A 135 0.207 -7.483 -10.438 1.00 0.00 C ATOM 2065 O SER A 135 -0.760 -7.030 -11.017 1.00 0.00 O ATOM 2066 CB SER A 135 0.979 -9.060 -12.430 1.00 0.00 C ATOM 2067 OG SER A 135 -0.157 -9.044 -13.268 1.00 0.00 O ATOM 0 H SER A 135 -0.915 -9.616 -10.170 1.00 0.00 H new ATOM 0 HA SER A 135 1.902 -8.741 -10.609 1.00 0.00 H new ATOM 0 HB2 SER A 135 1.679 -8.324 -12.827 1.00 0.00 H new ATOM 0 HB3 SER A 135 1.446 -10.038 -12.544 1.00 0.00 H new ATOM 0 HG SER A 135 -0.816 -8.411 -12.913 1.00 0.00 H new ATOM 2073 N HIS A 136 0.665 -6.941 -9.300 1.00 0.00 N ATOM 2074 CA HIS A 136 0.418 -5.534 -8.886 1.00 0.00 C ATOM 2075 C HIS A 136 0.632 -4.459 -9.942 1.00 0.00 C ATOM 2076 O HIS A 136 1.831 -4.233 -10.194 1.00 0.00 O ATOM 2077 CB HIS A 136 1.377 -5.184 -7.710 1.00 0.00 C ATOM 2078 CG HIS A 136 2.885 -5.475 -7.879 1.00 0.00 C ATOM 2079 ND1 HIS A 136 3.465 -6.044 -8.988 1.00 0.00 N ATOM 2080 CD2 HIS A 136 3.917 -5.196 -7.025 1.00 0.00 C ATOM 2081 CE1 HIS A 136 4.784 -6.257 -8.745 1.00 0.00 C ATOM 2082 NE2 HIS A 136 5.091 -5.727 -7.541 1.00 0.00 N ATOM 2083 OXT HIS A 136 -0.320 -3.719 -10.240 1.00 0.00 O ATOM 0 H HIS A 136 1.224 -7.465 -8.627 1.00 0.00 H new ATOM 0 HA HIS A 136 -0.643 -5.517 -8.636 1.00 0.00 H new ATOM 0 HB2 HIS A 136 1.266 -4.121 -7.497 1.00 0.00 H new ATOM 0 HB3 HIS A 136 1.032 -5.724 -6.828 1.00 0.00 H new ATOM 0 HD2 HIS A 136 3.832 -4.650 -6.097 1.00 0.00 H new ATOM 0 HE1 HIS A 136 5.472 -6.765 -9.404 1.00 0.00 H new ATOM 0 HE2 HIS A 136 6.009 -5.719 -7.097 1.00 0.00 H new