USER MOD reduce.3.24.130724 H: found=0, std=0, add=1052, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1052 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 68 THR OG1 : rot -9:sc= 0.156 USER MOD Set 1.2: A 71 ASN : amide:sc= -1.58! X(o=-1.4!,f=-1.8) USER MOD Set 2.1: A 53 TYR OH : rot 60:sc= 0.669! USER MOD Set 2.2: A 111 HIS : no HE2:sc= 1.06 K(o=1.7,f=-9.4!) USER MOD Set 3.1: A 1 GLY N :NH3+ 150:sc= 1.17 (180deg=0) USER MOD Set 3.2: A 5 SER OG : rot 80:sc= 0.985 USER MOD Single : A 7 SER OG : rot 91:sc= 0.0997 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 52:sc= 0.0638 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc=-0.00472 X(o=-0.0047,f=-0.0047) USER MOD Single : A 29 HIS : no HD1:sc= -0.0852 X(o=-0.085,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= -1.55! (180deg=-2.79!) USER MOD Single : A 50 LYS NZ :NH3+ 156:sc= 1.13 (180deg=0.4) USER MOD Single : A 52 THR OG1 : rot 150:sc= 1.28 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 107:sc= 1.19 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 140:sc= -1.08! (180deg=-3.57!) USER MOD Single : A 73 LYS NZ :NH3+ -161:sc= -0.0389 (180deg=-0.311) USER MOD Single : A 74 LYS NZ :NH3+ 163:sc= -0.0245 (180deg=-0.334) USER MOD Single : A 76 MET CE :methyl 180:sc= -0.631 (180deg=-0.631) USER MOD Single : A 78 LYS NZ :NH3+ 155:sc= 1.18 (180deg=1.05) USER MOD Single : A 79 SER OG : rot -44:sc= 0.991 USER MOD Single : A 80 LYS NZ :NH3+ -166:sc= -0.0457 (180deg=-0.255) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0551 USER MOD Single : A 88 LYS NZ :NH3+ 176:sc= 1.68 (180deg=1.54) USER MOD Single : A 91 LYS NZ :NH3+ 164:sc= 0.757 (180deg=0.186) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.462 X(o=-0.46,f=0.014) USER MOD Single : A 114 LYS NZ :NH3+ 156:sc= 1.25 (180deg=1.02) USER MOD Single : A 116 LYS NZ :NH3+ -148:sc= 0.297 (180deg=-2.59!) USER MOD Single : A 120 HIS : no HE2:sc= -1.49! C(o=-1.5!,f=-2.9!) USER MOD Single : A 129 HIS : no HD1:sc= -0.0143 X(o=-0.014,f=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ -157:sc= 2.48 (180deg=1.04) USER MOD Single : A 138 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.086 16.570 -32.832 1.00 42.19 N ATOM 2 CA GLY A 1 20.667 17.901 -32.339 1.00 42.07 C ATOM 3 C GLY A 1 19.402 17.823 -31.514 1.00 41.76 C ATOM 4 O GLY A 1 18.939 16.730 -31.193 1.00 41.66 O ATOM 0 H1 GLY A 1 21.585 16.677 -33.738 1.00 42.19 H new ATOM 0 H2 GLY A 1 21.721 16.127 -32.138 1.00 42.19 H new ATOM 0 H3 GLY A 1 20.247 15.970 -32.967 1.00 42.19 H new ATOM 0 HA2 GLY A 1 21.467 18.334 -31.738 1.00 42.07 H new ATOM 0 HA3 GLY A 1 20.508 18.568 -33.186 1.00 42.07 H new ATOM 10 N PRO A 2 18.819 18.971 -31.143 1.00 41.67 N ATOM 11 CA PRO A 2 17.548 19.021 -30.427 1.00 41.44 C ATOM 12 C PRO A 2 16.363 18.805 -31.361 1.00 41.34 C ATOM 13 O PRO A 2 15.461 18.022 -31.072 1.00 40.87 O ATOM 14 CB PRO A 2 17.513 20.441 -29.839 1.00 41.46 C ATOM 15 CG PRO A 2 18.844 21.050 -30.158 1.00 41.65 C ATOM 16 CD PRO A 2 19.362 20.312 -31.357 1.00 41.84 C ATOM 0 HA PRO A 2 17.474 18.238 -29.672 1.00 41.44 H new ATOM 0 HB2 PRO A 2 16.702 21.024 -30.275 1.00 41.46 H new ATOM 0 HB3 PRO A 2 17.344 20.414 -28.763 1.00 41.46 H new ATOM 0 HG2 PRO A 2 18.745 22.115 -30.369 1.00 41.65 H new ATOM 0 HG3 PRO A 2 19.529 20.954 -29.315 1.00 41.65 H new ATOM 0 HD2 PRO A 2 19.010 20.751 -32.290 1.00 41.84 H new ATOM 0 HD3 PRO A 2 20.451 20.310 -31.396 1.00 41.84 H new ATOM 24 N LEU A 3 16.381 19.502 -32.489 1.00 41.84 N ATOM 25 CA LEU A 3 15.313 19.403 -33.472 1.00 41.87 C ATOM 26 C LEU A 3 15.722 18.447 -34.583 1.00 41.68 C ATOM 27 O LEU A 3 16.878 18.441 -35.003 1.00 41.95 O ATOM 28 CB LEU A 3 14.981 20.777 -34.078 1.00 42.57 C ATOM 29 CG LEU A 3 14.355 21.808 -33.132 1.00 43.04 C ATOM 30 CD1 LEU A 3 15.367 22.313 -32.119 1.00 43.15 C ATOM 31 CD2 LEU A 3 13.767 22.970 -33.924 1.00 43.41 C ATOM 0 H LEU A 3 17.129 20.146 -32.746 1.00 41.84 H new ATOM 0 HA LEU A 3 14.424 19.027 -32.965 1.00 41.87 H new ATOM 0 HB2 LEU A 3 15.899 21.201 -34.486 1.00 42.57 H new ATOM 0 HB3 LEU A 3 14.300 20.625 -34.916 1.00 42.57 H new ATOM 0 HG LEU A 3 13.551 21.315 -32.584 1.00 43.04 H new ATOM 0 HD11 LEU A 3 14.892 23.043 -31.463 1.00 43.15 H new ATOM 0 HD12 LEU A 3 15.736 21.477 -31.525 1.00 43.15 H new ATOM 0 HD13 LEU A 3 16.201 22.783 -32.641 1.00 43.15 H new ATOM 0 HD21 LEU A 3 13.327 23.693 -33.237 1.00 43.41 H new ATOM 0 HD22 LEU A 3 14.555 23.452 -34.502 1.00 43.41 H new ATOM 0 HD23 LEU A 3 12.998 22.597 -34.600 1.00 43.41 H new ATOM 43 N GLY A 4 14.785 17.625 -35.034 1.00 41.27 N ATOM 44 CA GLY A 4 15.057 16.724 -36.140 1.00 41.12 C ATOM 45 C GLY A 4 15.631 15.396 -35.692 1.00 40.49 C ATOM 46 O GLY A 4 15.460 14.381 -36.362 1.00 40.38 O ATOM 0 H GLY A 4 13.840 17.565 -34.655 1.00 41.27 H new ATOM 0 HA2 GLY A 4 14.135 16.547 -36.693 1.00 41.12 H new ATOM 0 HA3 GLY A 4 15.754 17.202 -36.828 1.00 41.12 H new ATOM 50 N SER A 5 16.316 15.402 -34.560 1.00 40.15 N ATOM 51 CA SER A 5 16.895 14.190 -34.015 1.00 39.60 C ATOM 52 C SER A 5 15.905 13.505 -33.085 1.00 38.96 C ATOM 53 O SER A 5 15.483 14.080 -32.080 1.00 38.91 O ATOM 54 CB SER A 5 18.189 14.520 -33.268 1.00 39.66 C ATOM 55 OG SER A 5 19.078 15.241 -34.108 1.00 39.71 O ATOM 0 H SER A 5 16.484 16.238 -34.000 1.00 40.15 H new ATOM 0 HA SER A 5 17.127 13.509 -34.834 1.00 39.60 H new ATOM 0 HB2 SER A 5 17.963 15.108 -32.378 1.00 39.66 H new ATOM 0 HB3 SER A 5 18.665 13.600 -32.929 1.00 39.66 H new ATOM 0 HG SER A 5 18.810 16.183 -34.136 1.00 39.71 H new ATOM 61 N GLU A 6 15.515 12.295 -33.449 1.00 38.55 N ATOM 62 CA GLU A 6 14.583 11.513 -32.655 1.00 37.99 C ATOM 63 C GLU A 6 15.249 11.033 -31.374 1.00 37.51 C ATOM 64 O GLU A 6 16.356 10.492 -31.405 1.00 37.44 O ATOM 65 CB GLU A 6 14.089 10.309 -33.459 1.00 37.87 C ATOM 66 CG GLU A 6 13.209 10.671 -34.647 1.00 38.27 C ATOM 67 CD GLU A 6 11.860 11.220 -34.226 1.00 38.50 C ATOM 68 OE1 GLU A 6 11.237 10.639 -33.314 1.00 38.67 O ATOM 69 OE2 GLU A 6 11.400 12.214 -34.824 1.00 38.56 O ATOM 0 H GLU A 6 15.834 11.829 -34.299 1.00 38.55 H new ATOM 0 HA GLU A 6 13.734 12.146 -32.397 1.00 37.99 H new ATOM 0 HB2 GLU A 6 14.951 9.747 -33.818 1.00 37.87 H new ATOM 0 HB3 GLU A 6 13.531 9.648 -32.796 1.00 37.87 H new ATOM 0 HG2 GLU A 6 13.722 11.410 -35.263 1.00 38.27 H new ATOM 0 HG3 GLU A 6 13.060 9.787 -35.267 1.00 38.27 H new ATOM 76 N SER A 7 14.581 11.243 -30.253 1.00 37.24 N ATOM 77 CA SER A 7 15.071 10.767 -28.978 1.00 36.83 C ATOM 78 C SER A 7 14.855 9.262 -28.886 1.00 36.34 C ATOM 79 O SER A 7 13.746 8.796 -28.615 1.00 36.22 O ATOM 80 CB SER A 7 14.335 11.486 -27.850 1.00 36.87 C ATOM 81 OG SER A 7 13.647 12.629 -28.350 1.00 36.87 O ATOM 0 H SER A 7 13.693 11.743 -30.204 1.00 37.24 H new ATOM 0 HA SER A 7 16.137 10.975 -28.887 1.00 36.83 H new ATOM 0 HB2 SER A 7 13.626 10.805 -27.379 1.00 36.87 H new ATOM 0 HB3 SER A 7 15.045 11.790 -27.081 1.00 36.87 H new ATOM 0 HG SER A 7 12.736 12.375 -28.609 1.00 36.87 H new ATOM 87 N LEU A 8 15.903 8.502 -29.154 1.00 36.13 N ATOM 88 CA LEU A 8 15.799 7.055 -29.172 1.00 35.73 C ATOM 89 C LEU A 8 15.895 6.488 -27.767 1.00 35.30 C ATOM 90 O LEU A 8 16.850 6.769 -27.039 1.00 35.28 O ATOM 91 CB LEU A 8 16.896 6.435 -30.042 1.00 35.83 C ATOM 92 CG LEU A 8 16.832 4.905 -30.167 1.00 36.15 C ATOM 93 CD1 LEU A 8 15.548 4.483 -30.865 1.00 36.22 C ATOM 94 CD2 LEU A 8 18.046 4.371 -30.914 1.00 36.32 C ATOM 0 H LEU A 8 16.834 8.863 -29.362 1.00 36.13 H new ATOM 0 HA LEU A 8 14.826 6.805 -29.595 1.00 35.73 H new ATOM 0 HB2 LEU A 8 16.838 6.870 -31.040 1.00 35.83 H new ATOM 0 HB3 LEU A 8 17.867 6.711 -29.630 1.00 35.83 H new ATOM 0 HG LEU A 8 16.838 4.480 -29.163 1.00 36.15 H new ATOM 0 HD11 LEU A 8 15.518 3.396 -30.946 1.00 36.22 H new ATOM 0 HD12 LEU A 8 14.690 4.828 -30.288 1.00 36.22 H new ATOM 0 HD13 LEU A 8 15.515 4.922 -31.862 1.00 36.22 H new ATOM 0 HD21 LEU A 8 17.978 3.286 -30.990 1.00 36.32 H new ATOM 0 HD22 LEU A 8 18.077 4.803 -31.914 1.00 36.32 H new ATOM 0 HD23 LEU A 8 18.953 4.641 -30.374 1.00 36.32 H new ATOM 106 N MET A 9 14.896 5.704 -27.391 1.00 35.03 N ATOM 107 CA MET A 9 14.920 4.976 -26.134 1.00 34.68 C ATOM 108 C MET A 9 15.460 3.572 -26.372 1.00 34.45 C ATOM 109 O MET A 9 15.030 2.887 -27.300 1.00 34.50 O ATOM 110 CB MET A 9 13.522 4.927 -25.505 1.00 34.61 C ATOM 111 CG MET A 9 12.442 4.366 -26.420 1.00 34.75 C ATOM 112 SD MET A 9 10.790 4.477 -25.694 1.00 34.63 S ATOM 113 CE MET A 9 9.791 3.801 -27.021 1.00 34.81 C ATOM 0 H MET A 9 14.052 5.556 -27.945 1.00 35.03 H new ATOM 0 HA MET A 9 15.576 5.494 -25.434 1.00 34.68 H new ATOM 0 HB2 MET A 9 13.565 4.322 -24.600 1.00 34.61 H new ATOM 0 HB3 MET A 9 13.237 5.935 -25.202 1.00 34.61 H new ATOM 0 HG2 MET A 9 12.456 4.906 -27.367 1.00 34.75 H new ATOM 0 HG3 MET A 9 12.667 3.323 -26.645 1.00 34.75 H new ATOM 0 HE1 MET A 9 8.742 3.803 -26.724 1.00 34.81 H new ATOM 0 HE2 MET A 9 9.915 4.410 -27.917 1.00 34.81 H new ATOM 0 HE3 MET A 9 10.107 2.779 -27.230 1.00 34.81 H new ATOM 123 N PRO A 10 16.437 3.143 -25.557 1.00 34.29 N ATOM 124 CA PRO A 10 17.094 1.841 -25.721 1.00 34.15 C ATOM 125 C PRO A 10 16.107 0.677 -25.711 1.00 34.01 C ATOM 126 O PRO A 10 16.250 -0.283 -26.467 1.00 34.16 O ATOM 127 CB PRO A 10 18.030 1.754 -24.514 1.00 34.05 C ATOM 128 CG PRO A 10 18.262 3.166 -24.107 1.00 34.20 C ATOM 129 CD PRO A 10 16.990 3.899 -24.420 1.00 34.31 C ATOM 0 HA PRO A 10 17.605 1.769 -26.681 1.00 34.15 H new ATOM 0 HB2 PRO A 10 17.579 1.179 -23.705 1.00 34.05 H new ATOM 0 HB3 PRO A 10 18.966 1.259 -24.774 1.00 34.05 H new ATOM 0 HG2 PRO A 10 18.500 3.232 -23.045 1.00 34.20 H new ATOM 0 HG3 PRO A 10 19.104 3.596 -24.650 1.00 34.20 H new ATOM 0 HD2 PRO A 10 16.308 3.903 -23.570 1.00 34.31 H new ATOM 0 HD3 PRO A 10 17.179 4.940 -24.682 1.00 34.31 H new ATOM 137 N SER A 11 15.109 0.764 -24.845 1.00 33.80 N ATOM 138 CA SER A 11 14.081 -0.254 -24.767 1.00 33.74 C ATOM 139 C SER A 11 12.961 0.050 -25.762 1.00 33.54 C ATOM 140 O SER A 11 12.031 0.802 -25.464 1.00 33.25 O ATOM 141 CB SER A 11 13.548 -0.342 -23.335 1.00 33.66 C ATOM 142 OG SER A 11 13.450 0.947 -22.747 1.00 33.75 O ATOM 0 H SER A 11 14.992 1.533 -24.186 1.00 33.80 H new ATOM 0 HA SER A 11 14.507 -1.222 -25.032 1.00 33.74 H new ATOM 0 HB2 SER A 11 12.568 -0.820 -23.337 1.00 33.66 H new ATOM 0 HB3 SER A 11 14.208 -0.970 -22.736 1.00 33.66 H new ATOM 0 HG SER A 11 12.942 1.539 -23.340 1.00 33.75 H new ATOM 148 N GLN A 12 13.084 -0.502 -26.962 1.00 33.76 N ATOM 149 CA GLN A 12 12.094 -0.289 -28.008 1.00 33.69 C ATOM 150 C GLN A 12 11.720 -1.610 -28.667 1.00 33.80 C ATOM 151 O GLN A 12 12.469 -2.143 -29.482 1.00 34.18 O ATOM 152 CB GLN A 12 12.615 0.685 -29.071 1.00 33.91 C ATOM 153 CG GLN A 12 11.597 0.988 -30.163 1.00 34.14 C ATOM 154 CD GLN A 12 12.168 1.804 -31.306 1.00 34.39 C ATOM 155 OE1 GLN A 12 13.355 1.718 -31.622 1.00 34.47 O ATOM 156 NE2 GLN A 12 11.320 2.588 -31.953 1.00 34.58 N ATOM 0 H GLN A 12 13.862 -1.102 -27.235 1.00 33.76 H new ATOM 0 HA GLN A 12 11.209 0.144 -27.542 1.00 33.69 H new ATOM 0 HB2 GLN A 12 12.907 1.617 -28.587 1.00 33.91 H new ATOM 0 HB3 GLN A 12 13.513 0.268 -29.527 1.00 33.91 H new ATOM 0 HG2 GLN A 12 11.206 0.050 -30.556 1.00 34.14 H new ATOM 0 HG3 GLN A 12 10.756 1.526 -29.726 1.00 34.14 H new ATOM 0 HE21 GLN A 12 10.343 2.633 -31.662 1.00 34.58 H new ATOM 0 HE22 GLN A 12 11.643 3.147 -32.743 1.00 34.58 H new ATOM 165 N VAL A 13 10.570 -2.140 -28.284 1.00 33.54 N ATOM 166 CA VAL A 13 10.034 -3.348 -28.895 1.00 33.70 C ATOM 167 C VAL A 13 8.565 -3.138 -29.250 1.00 33.82 C ATOM 168 O VAL A 13 7.744 -2.810 -28.389 1.00 33.61 O ATOM 169 CB VAL A 13 10.193 -4.589 -27.976 1.00 33.45 C ATOM 170 CG1 VAL A 13 11.646 -5.046 -27.944 1.00 33.54 C ATOM 171 CG2 VAL A 13 9.701 -4.293 -26.564 1.00 33.20 C ATOM 0 H VAL A 13 9.984 -1.749 -27.546 1.00 33.54 H new ATOM 0 HA VAL A 13 10.607 -3.543 -29.802 1.00 33.70 H new ATOM 0 HB VAL A 13 9.581 -5.392 -28.387 1.00 33.45 H new ATOM 0 HG11 VAL A 13 11.739 -5.917 -27.295 1.00 33.54 H new ATOM 0 HG12 VAL A 13 11.967 -5.309 -28.952 1.00 33.54 H new ATOM 0 HG13 VAL A 13 12.273 -4.240 -27.562 1.00 33.54 H new ATOM 0 HG21 VAL A 13 9.824 -5.180 -25.942 1.00 33.20 H new ATOM 0 HG22 VAL A 13 10.279 -3.471 -26.142 1.00 33.20 H new ATOM 0 HG23 VAL A 13 8.647 -4.016 -26.596 1.00 33.20 H new ATOM 181 N VAL A 14 8.244 -3.286 -30.525 1.00 34.23 N ATOM 182 CA VAL A 14 6.892 -3.036 -30.997 1.00 34.47 C ATOM 183 C VAL A 14 5.992 -4.238 -30.754 1.00 34.64 C ATOM 184 O VAL A 14 5.970 -5.193 -31.536 1.00 34.98 O ATOM 185 CB VAL A 14 6.869 -2.666 -32.496 1.00 34.94 C ATOM 186 CG1 VAL A 14 5.457 -2.311 -32.946 1.00 35.10 C ATOM 187 CG2 VAL A 14 7.821 -1.515 -32.776 1.00 35.04 C ATOM 0 H VAL A 14 8.900 -3.577 -31.250 1.00 34.23 H new ATOM 0 HA VAL A 14 6.512 -2.188 -30.426 1.00 34.47 H new ATOM 0 HB VAL A 14 7.199 -3.535 -33.065 1.00 34.94 H new ATOM 0 HG11 VAL A 14 5.467 -2.054 -34.005 1.00 35.10 H new ATOM 0 HG12 VAL A 14 4.799 -3.165 -32.786 1.00 35.10 H new ATOM 0 HG13 VAL A 14 5.095 -1.460 -32.369 1.00 35.10 H new ATOM 0 HG21 VAL A 14 7.791 -1.268 -33.837 1.00 35.04 H new ATOM 0 HG22 VAL A 14 7.521 -0.645 -32.193 1.00 35.04 H new ATOM 0 HG23 VAL A 14 8.834 -1.806 -32.499 1.00 35.04 H new ATOM 197 N LYS A 15 5.265 -4.197 -29.649 1.00 34.47 N ATOM 198 CA LYS A 15 4.294 -5.233 -29.332 1.00 34.70 C ATOM 199 C LYS A 15 2.894 -4.775 -29.737 1.00 35.14 C ATOM 200 O LYS A 15 2.108 -4.303 -28.916 1.00 35.00 O ATOM 201 CB LYS A 15 4.355 -5.597 -27.838 1.00 34.32 C ATOM 202 CG LYS A 15 4.281 -4.401 -26.896 1.00 34.20 C ATOM 203 CD LYS A 15 4.433 -4.821 -25.443 1.00 33.99 C ATOM 204 CE LYS A 15 4.333 -3.630 -24.510 1.00 34.16 C ATOM 205 NZ LYS A 15 4.596 -4.015 -23.102 1.00 34.21 N ATOM 0 H LYS A 15 5.329 -3.454 -28.953 1.00 34.47 H new ATOM 0 HA LYS A 15 4.537 -6.132 -29.898 1.00 34.70 H new ATOM 0 HB2 LYS A 15 3.534 -6.277 -27.608 1.00 34.32 H new ATOM 0 HB3 LYS A 15 5.281 -6.139 -27.646 1.00 34.32 H new ATOM 0 HG2 LYS A 15 5.063 -3.687 -27.152 1.00 34.20 H new ATOM 0 HG3 LYS A 15 3.327 -3.891 -27.030 1.00 34.20 H new ATOM 0 HD2 LYS A 15 3.662 -5.549 -25.190 1.00 33.99 H new ATOM 0 HD3 LYS A 15 5.395 -5.314 -25.304 1.00 33.99 H new ATOM 0 HE2 LYS A 15 5.046 -2.865 -24.818 1.00 34.16 H new ATOM 0 HE3 LYS A 15 3.339 -3.189 -24.588 1.00 34.16 H new ATOM 0 HZ1 LYS A 15 4.519 -3.176 -22.492 1.00 34.21 H new ATOM 0 HZ2 LYS A 15 3.900 -4.727 -22.801 1.00 34.21 H new ATOM 0 HZ3 LYS A 15 5.554 -4.413 -23.024 1.00 34.21 H new ATOM 219 N GLY A 16 2.601 -4.886 -31.025 1.00 35.76 N ATOM 220 CA GLY A 16 1.326 -4.434 -31.537 1.00 36.30 C ATOM 221 C GLY A 16 0.401 -5.582 -31.870 1.00 36.44 C ATOM 222 O GLY A 16 0.632 -6.302 -32.839 1.00 36.61 O ATOM 0 H GLY A 16 3.227 -5.283 -31.726 1.00 35.76 H new ATOM 0 HA2 GLY A 16 0.849 -3.789 -30.799 1.00 36.30 H new ATOM 0 HA3 GLY A 16 1.489 -3.831 -32.430 1.00 36.30 H new ATOM 226 N GLY A 17 -0.630 -5.763 -31.057 1.00 36.42 N ATOM 227 CA GLY A 17 -1.609 -6.806 -31.304 1.00 36.64 C ATOM 228 C GLY A 17 -1.046 -8.208 -31.123 1.00 36.05 C ATOM 229 O GLY A 17 -1.567 -9.172 -31.685 1.00 36.21 O ATOM 0 H GLY A 17 -0.808 -5.202 -30.224 1.00 36.42 H new ATOM 0 HA2 GLY A 17 -2.454 -6.670 -30.629 1.00 36.64 H new ATOM 0 HA3 GLY A 17 -1.992 -6.703 -32.319 1.00 36.64 H new ATOM 233 N ALA A 18 0.011 -8.329 -30.333 1.00 35.42 N ATOM 234 CA ALA A 18 0.653 -9.614 -30.109 1.00 34.89 C ATOM 235 C ALA A 18 0.650 -9.976 -28.633 1.00 34.61 C ATOM 236 O ALA A 18 1.413 -9.417 -27.840 1.00 34.46 O ATOM 237 CB ALA A 18 2.073 -9.592 -30.650 1.00 34.46 C ATOM 0 H ALA A 18 0.442 -7.550 -29.836 1.00 35.42 H new ATOM 0 HA ALA A 18 0.086 -10.377 -30.642 1.00 34.89 H new ATOM 0 HB1 ALA A 18 2.544 -10.560 -30.476 1.00 34.46 H new ATOM 0 HB2 ALA A 18 2.052 -9.386 -31.720 1.00 34.46 H new ATOM 0 HB3 ALA A 18 2.644 -8.815 -30.142 1.00 34.46 H new ATOM 243 N PHE A 19 -0.224 -10.897 -28.264 1.00 34.63 N ATOM 244 CA PHE A 19 -0.291 -11.372 -26.893 1.00 34.46 C ATOM 245 C PHE A 19 0.258 -12.786 -26.807 1.00 33.97 C ATOM 246 O PHE A 19 -0.478 -13.759 -26.952 1.00 33.93 O ATOM 247 CB PHE A 19 -1.732 -11.327 -26.368 1.00 34.87 C ATOM 248 CG PHE A 19 -2.323 -9.947 -26.332 1.00 35.13 C ATOM 249 CD1 PHE A 19 -2.010 -9.073 -25.304 1.00 35.46 C ATOM 250 CD2 PHE A 19 -3.198 -9.524 -27.326 1.00 35.12 C ATOM 251 CE1 PHE A 19 -2.558 -7.805 -25.264 1.00 35.77 C ATOM 252 CE2 PHE A 19 -3.747 -8.255 -27.292 1.00 35.44 C ATOM 253 CZ PHE A 19 -3.406 -7.385 -26.271 1.00 35.77 C ATOM 0 H PHE A 19 -0.897 -11.331 -28.895 1.00 34.63 H new ATOM 0 HA PHE A 19 0.317 -10.716 -26.270 1.00 34.46 H new ATOM 0 HB2 PHE A 19 -2.357 -11.963 -26.995 1.00 34.87 H new ATOM 0 HB3 PHE A 19 -1.756 -11.748 -25.363 1.00 34.87 H new ATOM 0 HD1 PHE A 19 -1.330 -9.386 -24.525 1.00 35.46 H new ATOM 0 HD2 PHE A 19 -3.452 -10.194 -28.134 1.00 35.12 H new ATOM 0 HE1 PHE A 19 -2.323 -7.142 -24.445 1.00 35.77 H new ATOM 0 HE2 PHE A 19 -4.440 -7.944 -28.060 1.00 35.44 H new ATOM 0 HZ PHE A 19 -3.802 -6.380 -26.261 1.00 35.77 H new ATOM 263 N ASP A 20 1.563 -12.886 -26.599 1.00 33.67 N ATOM 264 CA ASP A 20 2.224 -14.181 -26.544 1.00 33.27 C ATOM 265 C ASP A 20 2.852 -14.412 -25.180 1.00 33.26 C ATOM 266 O ASP A 20 3.801 -13.729 -24.792 1.00 33.32 O ATOM 267 CB ASP A 20 3.302 -14.294 -27.629 1.00 32.91 C ATOM 268 CG ASP A 20 2.722 -14.497 -29.013 1.00 32.70 C ATOM 269 OD1 ASP A 20 2.406 -15.651 -29.364 1.00 32.45 O ATOM 270 OD2 ASP A 20 2.586 -13.505 -29.759 1.00 32.86 O ATOM 0 H ASP A 20 2.184 -12.088 -26.466 1.00 33.67 H new ATOM 0 HA ASP A 20 1.465 -14.943 -26.719 1.00 33.27 H new ATOM 0 HB2 ASP A 20 3.912 -13.391 -27.624 1.00 32.91 H new ATOM 0 HB3 ASP A 20 3.964 -15.127 -27.392 1.00 32.91 H new ATOM 275 N GLY A 21 2.313 -15.373 -24.447 1.00 33.27 N ATOM 276 CA GLY A 21 2.893 -15.751 -23.177 1.00 33.35 C ATOM 277 C GLY A 21 3.511 -17.129 -23.255 1.00 32.96 C ATOM 278 O GLY A 21 3.034 -18.070 -22.629 1.00 32.93 O ATOM 0 H GLY A 21 1.480 -15.900 -24.711 1.00 33.27 H new ATOM 0 HA2 GLY A 21 3.652 -15.024 -22.888 1.00 33.35 H new ATOM 0 HA3 GLY A 21 2.126 -15.735 -22.403 1.00 33.35 H new ATOM 282 N THR A 22 4.567 -17.247 -24.044 1.00 32.73 N ATOM 283 CA THR A 22 5.241 -18.517 -24.224 1.00 32.43 C ATOM 284 C THR A 22 6.700 -18.411 -23.796 1.00 32.62 C ATOM 285 O THR A 22 7.410 -17.475 -24.176 1.00 32.89 O ATOM 286 CB THR A 22 5.141 -19.014 -25.691 1.00 32.23 C ATOM 287 OG1 THR A 22 5.858 -20.243 -25.853 1.00 32.26 O ATOM 288 CG2 THR A 22 5.680 -17.978 -26.668 1.00 32.08 C ATOM 0 H THR A 22 4.975 -16.474 -24.570 1.00 32.73 H new ATOM 0 HA THR A 22 4.740 -19.250 -23.591 1.00 32.43 H new ATOM 0 HB THR A 22 4.086 -19.178 -25.910 1.00 32.23 H new ATOM 0 HG1 THR A 22 5.784 -20.545 -26.783 1.00 32.26 H new ATOM 0 HG21 THR A 22 5.595 -18.359 -27.686 1.00 32.08 H new ATOM 0 HG22 THR A 22 5.105 -17.057 -26.576 1.00 32.08 H new ATOM 0 HG23 THR A 22 6.727 -17.776 -26.443 1.00 32.08 H new ATOM 296 N MET A 23 7.132 -19.353 -22.975 1.00 32.58 N ATOM 297 CA MET A 23 8.507 -19.391 -22.515 1.00 32.83 C ATOM 298 C MET A 23 9.256 -20.525 -23.193 1.00 32.76 C ATOM 299 O MET A 23 9.178 -21.681 -22.774 1.00 32.54 O ATOM 300 CB MET A 23 8.569 -19.551 -20.997 1.00 33.02 C ATOM 301 CG MET A 23 8.039 -18.354 -20.228 1.00 33.05 C ATOM 302 SD MET A 23 8.048 -18.624 -18.442 1.00 33.43 S ATOM 303 CE MET A 23 7.537 -17.007 -17.854 1.00 33.50 C ATOM 0 H MET A 23 6.546 -20.105 -22.612 1.00 32.58 H new ATOM 0 HA MET A 23 8.982 -18.446 -22.779 1.00 32.83 H new ATOM 0 HB2 MET A 23 7.999 -20.435 -20.711 1.00 33.02 H new ATOM 0 HB3 MET A 23 9.603 -19.730 -20.703 1.00 33.02 H new ATOM 0 HG2 MET A 23 8.643 -17.478 -20.463 1.00 33.05 H new ATOM 0 HG3 MET A 23 7.022 -18.137 -20.555 1.00 33.05 H new ATOM 0 HE1 MET A 23 7.495 -17.013 -16.765 1.00 33.50 H new ATOM 0 HE2 MET A 23 8.254 -16.256 -18.185 1.00 33.50 H new ATOM 0 HE3 MET A 23 6.551 -16.769 -18.254 1.00 33.50 H new ATOM 313 N ASN A 24 9.950 -20.192 -24.266 1.00 33.04 N ATOM 314 CA ASN A 24 10.744 -21.167 -24.996 1.00 33.09 C ATOM 315 C ASN A 24 12.219 -20.815 -24.888 1.00 33.28 C ATOM 316 O ASN A 24 12.591 -19.642 -24.945 1.00 33.55 O ATOM 317 CB ASN A 24 10.313 -21.236 -26.466 1.00 33.42 C ATOM 318 CG ASN A 24 11.161 -22.200 -27.282 1.00 33.67 C ATOM 319 OD1 ASN A 24 12.124 -21.801 -27.942 1.00 33.88 O ATOM 320 ND2 ASN A 24 10.826 -23.481 -27.221 1.00 33.72 N ATOM 0 H ASN A 24 9.981 -19.249 -24.654 1.00 33.04 H new ATOM 0 HA ASN A 24 10.580 -22.150 -24.554 1.00 33.09 H new ATOM 0 HB2 ASN A 24 9.268 -21.542 -26.520 1.00 33.42 H new ATOM 0 HB3 ASN A 24 10.376 -20.241 -26.906 1.00 33.42 H new ATOM 0 HD21 ASN A 24 11.372 -24.176 -27.731 1.00 33.72 H new ATOM 0 HD22 ASN A 24 10.023 -23.772 -26.664 1.00 33.72 H new ATOM 327 N GLY A 25 13.051 -21.835 -24.733 1.00 33.20 N ATOM 328 CA GLY A 25 14.474 -21.627 -24.540 1.00 33.45 C ATOM 329 C GLY A 25 15.010 -22.205 -23.231 1.00 33.20 C ATOM 330 O GLY A 25 16.161 -22.637 -23.195 1.00 33.41 O ATOM 0 H GLY A 25 12.763 -22.813 -24.738 1.00 33.20 H new ATOM 0 HA2 GLY A 25 15.014 -22.077 -25.373 1.00 33.45 H new ATOM 0 HA3 GLY A 25 14.682 -20.557 -24.566 1.00 33.45 H new ATOM 334 N PRO A 26 14.233 -22.241 -22.126 1.00 32.82 N ATOM 335 CA PRO A 26 14.599 -23.050 -20.959 1.00 32.65 C ATOM 336 C PRO A 26 14.442 -24.534 -21.270 1.00 32.53 C ATOM 337 O PRO A 26 13.342 -25.082 -21.200 1.00 32.48 O ATOM 338 CB PRO A 26 13.610 -22.614 -19.868 1.00 32.38 C ATOM 339 CG PRO A 26 13.012 -21.343 -20.372 1.00 32.41 C ATOM 340 CD PRO A 26 13.019 -21.455 -21.867 1.00 32.65 C ATOM 0 HA PRO A 26 15.637 -22.906 -20.658 1.00 32.65 H new ATOM 0 HB2 PRO A 26 12.844 -23.372 -19.704 1.00 32.38 H new ATOM 0 HB3 PRO A 26 14.116 -22.461 -18.915 1.00 32.38 H new ATOM 0 HG2 PRO A 26 11.998 -21.211 -19.994 1.00 32.41 H new ATOM 0 HG3 PRO A 26 13.590 -20.480 -20.041 1.00 32.41 H new ATOM 0 HD2 PRO A 26 12.125 -21.955 -22.240 1.00 32.65 H new ATOM 0 HD3 PRO A 26 13.060 -20.477 -22.346 1.00 32.65 H new ATOM 348 N PHE A 27 15.542 -25.166 -21.654 1.00 32.56 N ATOM 349 CA PHE A 27 15.512 -26.546 -22.117 1.00 32.53 C ATOM 350 C PHE A 27 15.465 -27.526 -20.953 1.00 31.97 C ATOM 351 O PHE A 27 16.401 -27.611 -20.154 1.00 31.89 O ATOM 352 CB PHE A 27 16.727 -26.839 -23.002 1.00 33.05 C ATOM 353 CG PHE A 27 16.792 -25.986 -24.237 1.00 33.43 C ATOM 354 CD1 PHE A 27 15.789 -26.051 -25.191 1.00 33.44 C ATOM 355 CD2 PHE A 27 17.847 -25.115 -24.438 1.00 33.85 C ATOM 356 CE1 PHE A 27 15.841 -25.261 -26.324 1.00 33.87 C ATOM 357 CE2 PHE A 27 17.905 -24.320 -25.568 1.00 34.28 C ATOM 358 CZ PHE A 27 16.900 -24.395 -26.513 1.00 34.29 C ATOM 0 H PHE A 27 16.470 -24.743 -21.654 1.00 32.56 H new ATOM 0 HA PHE A 27 14.602 -26.677 -22.703 1.00 32.53 H new ATOM 0 HB2 PHE A 27 17.635 -26.689 -22.419 1.00 33.05 H new ATOM 0 HB3 PHE A 27 16.707 -27.888 -23.296 1.00 33.05 H new ATOM 0 HD1 PHE A 27 14.958 -26.726 -25.048 1.00 33.44 H new ATOM 0 HD2 PHE A 27 18.636 -25.055 -23.703 1.00 33.85 H new ATOM 0 HE1 PHE A 27 15.054 -25.321 -27.061 1.00 33.87 H new ATOM 0 HE2 PHE A 27 18.734 -23.642 -25.711 1.00 34.28 H new ATOM 0 HZ PHE A 27 16.942 -23.777 -27.398 1.00 34.29 H new ATOM 368 N GLY A 28 14.364 -28.258 -20.864 1.00 31.66 N ATOM 369 CA GLY A 28 14.216 -29.270 -19.840 1.00 31.19 C ATOM 370 C GLY A 28 12.829 -29.867 -19.838 1.00 30.74 C ATOM 371 O GLY A 28 11.837 -29.134 -19.842 1.00 30.73 O ATOM 0 H GLY A 28 13.564 -28.167 -21.490 1.00 31.66 H new ATOM 0 HA2 GLY A 28 14.951 -30.059 -20.000 1.00 31.19 H new ATOM 0 HA3 GLY A 28 14.425 -28.833 -18.864 1.00 31.19 H new ATOM 375 N HIS A 29 12.749 -31.191 -19.856 1.00 30.45 N ATOM 376 CA HIS A 29 11.458 -31.865 -19.829 1.00 30.07 C ATOM 377 C HIS A 29 10.879 -31.822 -18.422 1.00 29.27 C ATOM 378 O HIS A 29 11.610 -31.963 -17.442 1.00 29.10 O ATOM 379 CB HIS A 29 11.559 -33.319 -20.337 1.00 30.43 C ATOM 380 CG HIS A 29 12.331 -34.271 -19.459 1.00 30.70 C ATOM 381 ND1 HIS A 29 13.613 -34.693 -19.743 1.00 31.08 N ATOM 382 CD2 HIS A 29 11.978 -34.913 -18.318 1.00 30.74 C ATOM 383 CE1 HIS A 29 14.012 -35.545 -18.816 1.00 31.33 C ATOM 384 NE2 HIS A 29 13.038 -35.696 -17.941 1.00 31.13 N ATOM 0 H HIS A 29 13.555 -31.815 -19.889 1.00 30.45 H new ATOM 0 HA HIS A 29 10.787 -31.336 -20.506 1.00 30.07 H new ATOM 0 HB2 HIS A 29 10.549 -33.710 -20.464 1.00 30.43 H new ATOM 0 HB3 HIS A 29 12.023 -33.307 -21.323 1.00 30.43 H new ATOM 0 HD2 HIS A 29 11.034 -34.824 -17.801 1.00 30.74 H new ATOM 0 HE1 HIS A 29 14.974 -36.035 -18.781 1.00 31.33 H new ATOM 0 HE2 HIS A 29 13.068 -36.297 -17.118 1.00 31.13 H new ATOM 393 N GLY A 30 9.577 -31.609 -18.322 1.00 28.86 N ATOM 394 CA GLY A 30 8.952 -31.522 -17.022 1.00 28.15 C ATOM 395 C GLY A 30 7.611 -30.829 -17.076 1.00 27.47 C ATOM 396 O GLY A 30 7.181 -30.364 -18.136 1.00 27.72 O ATOM 0 H GLY A 30 8.945 -31.495 -19.114 1.00 28.86 H new ATOM 0 HA2 GLY A 30 8.824 -32.525 -16.615 1.00 28.15 H new ATOM 0 HA3 GLY A 30 9.610 -30.983 -16.340 1.00 28.15 H new ATOM 400 N TYR A 31 6.954 -30.757 -15.932 1.00 26.68 N ATOM 401 CA TYR A 31 5.646 -30.125 -15.828 1.00 26.02 C ATOM 402 C TYR A 31 5.555 -29.294 -14.552 1.00 25.11 C ATOM 403 O TYR A 31 6.136 -29.653 -13.527 1.00 24.84 O ATOM 404 CB TYR A 31 4.527 -31.177 -15.875 1.00 25.83 C ATOM 405 CG TYR A 31 4.810 -32.430 -15.060 1.00 26.21 C ATOM 406 CD1 TYR A 31 4.539 -32.469 -13.694 1.00 26.01 C ATOM 407 CD2 TYR A 31 5.347 -33.568 -15.648 1.00 26.88 C ATOM 408 CE1 TYR A 31 4.794 -33.602 -12.945 1.00 26.46 C ATOM 409 CE2 TYR A 31 5.601 -34.707 -14.903 1.00 27.32 C ATOM 410 CZ TYR A 31 5.333 -34.735 -13.580 1.00 27.12 C ATOM 411 OH TYR A 31 5.567 -35.853 -12.810 1.00 27.66 O ATOM 0 H TYR A 31 7.308 -31.132 -15.052 1.00 26.68 H new ATOM 0 HA TYR A 31 5.518 -29.459 -16.681 1.00 26.02 H new ATOM 0 HB2 TYR A 31 3.603 -30.724 -15.514 1.00 25.83 H new ATOM 0 HB3 TYR A 31 4.357 -31.464 -16.913 1.00 25.83 H new ATOM 0 HD1 TYR A 31 4.122 -31.598 -13.211 1.00 26.01 H new ATOM 0 HD2 TYR A 31 5.570 -33.564 -16.705 1.00 26.88 H new ATOM 0 HE1 TYR A 31 4.582 -33.617 -11.886 1.00 26.46 H new ATOM 0 HE2 TYR A 31 6.017 -35.580 -15.384 1.00 27.32 H new ATOM 0 HH TYR A 31 5.939 -36.565 -13.371 1.00 27.66 H new ATOM 421 N GLY A 32 4.856 -28.171 -14.626 1.00 24.74 N ATOM 422 CA GLY A 32 4.679 -27.334 -13.459 1.00 23.92 C ATOM 423 C GLY A 32 3.227 -27.029 -13.193 1.00 22.78 C ATOM 424 O GLY A 32 2.680 -26.060 -13.721 1.00 22.44 O ATOM 0 H GLY A 32 4.408 -27.825 -15.474 1.00 24.74 H new ATOM 0 HA2 GLY A 32 5.110 -27.830 -12.589 1.00 23.92 H new ATOM 0 HA3 GLY A 32 5.225 -26.401 -13.597 1.00 23.92 H new ATOM 428 N GLU A 33 2.598 -27.855 -12.374 1.00 22.28 N ATOM 429 CA GLU A 33 1.201 -27.658 -12.021 1.00 21.23 C ATOM 430 C GLU A 33 1.061 -26.515 -11.027 1.00 20.26 C ATOM 431 O GLU A 33 1.656 -26.542 -9.951 1.00 20.30 O ATOM 432 CB GLU A 33 0.594 -28.930 -11.419 1.00 21.19 C ATOM 433 CG GLU A 33 1.036 -30.217 -12.095 1.00 21.44 C ATOM 434 CD GLU A 33 2.274 -30.808 -11.451 1.00 21.69 C ATOM 435 OE1 GLU A 33 3.380 -30.274 -11.669 1.00 21.36 O ATOM 436 OE2 GLU A 33 2.141 -31.809 -10.716 1.00 22.32 O ATOM 0 H GLU A 33 3.033 -28.669 -11.940 1.00 22.28 H new ATOM 0 HA GLU A 33 0.662 -27.414 -12.937 1.00 21.23 H new ATOM 0 HB2 GLU A 33 0.858 -28.979 -10.363 1.00 21.19 H new ATOM 0 HB3 GLU A 33 -0.492 -28.860 -11.473 1.00 21.19 H new ATOM 0 HG2 GLU A 33 0.225 -30.944 -12.053 1.00 21.44 H new ATOM 0 HG3 GLU A 33 1.235 -30.022 -13.149 1.00 21.44 H new ATOM 443 N GLY A 34 0.278 -25.512 -11.392 1.00 19.49 N ATOM 444 CA GLY A 34 0.064 -24.384 -10.513 1.00 18.59 C ATOM 445 C GLY A 34 -1.086 -24.624 -9.565 1.00 17.66 C ATOM 446 O GLY A 34 -2.236 -24.772 -9.997 1.00 17.26 O ATOM 0 H GLY A 34 -0.214 -25.460 -12.284 1.00 19.49 H new ATOM 0 HA2 GLY A 34 0.972 -24.191 -9.942 1.00 18.59 H new ATOM 0 HA3 GLY A 34 -0.135 -23.492 -11.107 1.00 18.59 H new ATOM 450 N ALA A 35 -0.782 -24.693 -8.277 1.00 17.42 N ATOM 451 CA ALA A 35 -1.813 -24.850 -7.267 1.00 16.65 C ATOM 452 C ALA A 35 -2.508 -23.519 -7.012 1.00 15.41 C ATOM 453 O ALA A 35 -1.890 -22.560 -6.544 1.00 15.13 O ATOM 454 CB ALA A 35 -1.222 -25.404 -5.979 1.00 17.01 C ATOM 0 H ALA A 35 0.168 -24.643 -7.909 1.00 17.42 H new ATOM 0 HA ALA A 35 -2.553 -25.562 -7.634 1.00 16.65 H new ATOM 0 HB1 ALA A 35 -2.011 -25.514 -5.235 1.00 17.01 H new ATOM 0 HB2 ALA A 35 -0.769 -26.376 -6.175 1.00 17.01 H new ATOM 0 HB3 ALA A 35 -0.462 -24.719 -5.603 1.00 17.01 H new ATOM 460 N GLY A 36 -3.795 -23.466 -7.316 1.00 14.76 N ATOM 461 CA GLY A 36 -4.537 -22.234 -7.166 1.00 13.60 C ATOM 462 C GLY A 36 -5.633 -22.336 -6.131 1.00 12.94 C ATOM 463 O GLY A 36 -6.680 -22.937 -6.378 1.00 13.05 O ATOM 0 H GLY A 36 -4.339 -24.255 -7.664 1.00 14.76 H new ATOM 0 HA2 GLY A 36 -3.852 -21.434 -6.886 1.00 13.60 H new ATOM 0 HA3 GLY A 36 -4.974 -21.958 -8.126 1.00 13.60 H new ATOM 467 N GLU A 37 -5.386 -21.773 -4.963 1.00 12.42 N ATOM 468 CA GLU A 37 -6.400 -21.677 -3.935 1.00 11.86 C ATOM 469 C GLU A 37 -6.991 -20.276 -3.935 1.00 10.71 C ATOM 470 O GLU A 37 -6.643 -19.456 -4.789 1.00 10.32 O ATOM 471 CB GLU A 37 -5.803 -21.993 -2.567 1.00 12.01 C ATOM 472 CG GLU A 37 -4.615 -21.121 -2.196 1.00 12.07 C ATOM 473 CD GLU A 37 -4.175 -21.330 -0.762 1.00 12.51 C ATOM 474 OE1 GLU A 37 -3.795 -22.470 -0.415 1.00 13.02 O ATOM 475 OE2 GLU A 37 -4.218 -20.359 0.024 1.00 12.50 O ATOM 0 H GLU A 37 -4.484 -21.373 -4.703 1.00 12.42 H new ATOM 0 HA GLU A 37 -7.187 -22.402 -4.143 1.00 11.86 H new ATOM 0 HB2 GLU A 37 -6.577 -21.877 -1.808 1.00 12.01 H new ATOM 0 HB3 GLU A 37 -5.493 -23.038 -2.549 1.00 12.01 H new ATOM 0 HG2 GLU A 37 -3.783 -21.341 -2.865 1.00 12.07 H new ATOM 0 HG3 GLU A 37 -4.876 -20.073 -2.345 1.00 12.07 H new ATOM 482 N GLY A 38 -7.872 -19.995 -2.985 1.00 10.28 N ATOM 483 CA GLY A 38 -8.406 -18.656 -2.868 1.00 9.25 C ATOM 484 C GLY A 38 -7.424 -17.741 -2.190 1.00 8.49 C ATOM 485 O GLY A 38 -7.590 -17.381 -1.023 1.00 8.21 O ATOM 0 H GLY A 38 -8.223 -20.664 -2.300 1.00 10.28 H new ATOM 0 HA2 GLY A 38 -8.646 -18.268 -3.858 1.00 9.25 H new ATOM 0 HA3 GLY A 38 -9.337 -18.680 -2.301 1.00 9.25 H new ATOM 489 N ILE A 39 -6.375 -17.407 -2.915 1.00 8.38 N ATOM 490 CA ILE A 39 -5.427 -16.414 -2.469 1.00 7.80 C ATOM 491 C ILE A 39 -6.146 -15.093 -2.279 1.00 6.77 C ATOM 492 O ILE A 39 -7.145 -14.827 -2.944 1.00 6.49 O ATOM 493 CB ILE A 39 -4.270 -16.258 -3.480 1.00 8.21 C ATOM 494 CG1 ILE A 39 -4.821 -16.067 -4.904 1.00 8.58 C ATOM 495 CG2 ILE A 39 -3.341 -17.464 -3.407 1.00 9.12 C ATOM 496 CD1 ILE A 39 -3.780 -16.218 -5.993 1.00 8.87 C ATOM 0 H ILE A 39 -6.159 -17.815 -3.824 1.00 8.38 H new ATOM 0 HA ILE A 39 -4.995 -16.736 -1.521 1.00 7.80 H new ATOM 0 HB ILE A 39 -3.694 -15.369 -3.222 1.00 8.21 H new ATOM 0 HG12 ILE A 39 -5.618 -16.791 -5.074 1.00 8.58 H new ATOM 0 HG13 ILE A 39 -5.269 -15.076 -4.979 1.00 8.58 H new ATOM 0 HG21 ILE A 39 -2.529 -17.342 -4.124 1.00 9.12 H new ATOM 0 HG22 ILE A 39 -2.928 -17.544 -2.402 1.00 9.12 H new ATOM 0 HG23 ILE A 39 -3.901 -18.369 -3.643 1.00 9.12 H new ATOM 0 HD11 ILE A 39 -4.247 -16.069 -6.966 1.00 8.87 H new ATOM 0 HD12 ILE A 39 -2.994 -15.476 -5.850 1.00 8.87 H new ATOM 0 HD13 ILE A 39 -3.348 -17.218 -5.947 1.00 8.87 H new ATOM 508 N ASP A 40 -5.658 -14.276 -1.361 1.00 6.37 N ATOM 509 CA ASP A 40 -6.338 -13.031 -1.044 1.00 5.59 C ATOM 510 C ASP A 40 -6.104 -12.026 -2.158 1.00 5.10 C ATOM 511 O ASP A 40 -5.206 -11.189 -2.078 1.00 5.12 O ATOM 512 CB ASP A 40 -5.859 -12.463 0.297 1.00 5.75 C ATOM 513 CG ASP A 40 -6.798 -11.404 0.849 1.00 6.02 C ATOM 514 OD1 ASP A 40 -6.912 -10.325 0.228 1.00 6.52 O ATOM 515 OD2 ASP A 40 -7.434 -11.645 1.890 1.00 6.06 O ATOM 0 H ASP A 40 -4.805 -14.448 -0.828 1.00 6.37 H new ATOM 0 HA ASP A 40 -7.406 -13.232 -0.956 1.00 5.59 H new ATOM 0 HB2 ASP A 40 -5.767 -13.274 1.019 1.00 5.75 H new ATOM 0 HB3 ASP A 40 -4.865 -12.033 0.172 1.00 5.75 H new ATOM 520 N ASP A 41 -6.875 -12.170 -3.225 1.00 4.99 N ATOM 521 CA ASP A 41 -6.787 -11.250 -4.355 1.00 4.67 C ATOM 522 C ASP A 41 -7.451 -9.922 -4.015 1.00 3.91 C ATOM 523 O ASP A 41 -8.673 -9.787 -4.032 1.00 4.07 O ATOM 524 CB ASP A 41 -7.393 -11.859 -5.635 1.00 5.45 C ATOM 525 CG ASP A 41 -8.875 -12.187 -5.525 1.00 5.83 C ATOM 526 OD1 ASP A 41 -9.232 -13.154 -4.816 1.00 5.98 O ATOM 527 OD2 ASP A 41 -9.691 -11.499 -6.176 1.00 6.31 O ATOM 0 H ASP A 41 -7.567 -12.911 -3.335 1.00 4.99 H new ATOM 0 HA ASP A 41 -5.731 -11.068 -4.553 1.00 4.67 H new ATOM 0 HB2 ASP A 41 -7.246 -11.163 -6.461 1.00 5.45 H new ATOM 0 HB3 ASP A 41 -6.848 -12.769 -5.885 1.00 5.45 H new ATOM 532 N VAL A 42 -6.634 -8.956 -3.646 1.00 3.33 N ATOM 533 CA VAL A 42 -7.119 -7.621 -3.346 1.00 2.69 C ATOM 534 C VAL A 42 -6.403 -6.594 -4.221 1.00 2.33 C ATOM 535 O VAL A 42 -5.218 -6.751 -4.528 1.00 2.50 O ATOM 536 CB VAL A 42 -6.920 -7.283 -1.847 1.00 2.75 C ATOM 537 CG1 VAL A 42 -5.449 -7.370 -1.452 1.00 3.11 C ATOM 538 CG2 VAL A 42 -7.483 -5.909 -1.516 1.00 3.00 C ATOM 0 H VAL A 42 -5.625 -9.070 -3.546 1.00 3.33 H new ATOM 0 HA VAL A 42 -8.187 -7.588 -3.561 1.00 2.69 H new ATOM 0 HB VAL A 42 -7.470 -8.024 -1.267 1.00 2.75 H new ATOM 0 HG11 VAL A 42 -5.341 -7.128 -0.395 1.00 3.11 H new ATOM 0 HG12 VAL A 42 -5.083 -8.381 -1.632 1.00 3.11 H new ATOM 0 HG13 VAL A 42 -4.870 -6.664 -2.047 1.00 3.11 H new ATOM 0 HG21 VAL A 42 -7.330 -5.698 -0.458 1.00 3.00 H new ATOM 0 HG22 VAL A 42 -6.974 -5.153 -2.114 1.00 3.00 H new ATOM 0 HG23 VAL A 42 -8.550 -5.890 -1.739 1.00 3.00 H new ATOM 548 N GLU A 43 -7.123 -5.573 -4.663 1.00 2.18 N ATOM 549 CA GLU A 43 -6.499 -4.507 -5.425 1.00 2.01 C ATOM 550 C GLU A 43 -6.206 -3.319 -4.524 1.00 1.64 C ATOM 551 O GLU A 43 -7.072 -2.481 -4.268 1.00 1.85 O ATOM 552 CB GLU A 43 -7.365 -4.059 -6.607 1.00 2.56 C ATOM 553 CG GLU A 43 -6.656 -3.041 -7.493 1.00 2.76 C ATOM 554 CD GLU A 43 -7.546 -2.426 -8.552 1.00 3.45 C ATOM 555 OE1 GLU A 43 -7.880 -3.127 -9.530 1.00 3.83 O ATOM 556 OE2 GLU A 43 -7.941 -1.255 -8.395 1.00 3.94 O ATOM 0 H GLU A 43 -8.125 -5.462 -4.509 1.00 2.18 H new ATOM 0 HA GLU A 43 -5.566 -4.902 -5.828 1.00 2.01 H new ATOM 0 HB2 GLU A 43 -7.638 -4.929 -7.204 1.00 2.56 H new ATOM 0 HB3 GLU A 43 -8.292 -3.626 -6.231 1.00 2.56 H new ATOM 0 HG2 GLU A 43 -6.252 -2.247 -6.866 1.00 2.76 H new ATOM 0 HG3 GLU A 43 -5.809 -3.525 -7.980 1.00 2.76 H new ATOM 563 N TRP A 44 -4.992 -3.284 -4.012 1.00 1.25 N ATOM 564 CA TRP A 44 -4.516 -2.151 -3.244 1.00 0.97 C ATOM 565 C TRP A 44 -4.179 -0.999 -4.188 1.00 0.84 C ATOM 566 O TRP A 44 -3.707 -1.213 -5.302 1.00 0.86 O ATOM 567 CB TRP A 44 -3.317 -2.588 -2.376 1.00 0.87 C ATOM 568 CG TRP A 44 -2.405 -1.489 -1.865 1.00 0.83 C ATOM 569 CD1 TRP A 44 -2.688 -0.173 -1.633 1.00 1.24 C ATOM 570 CD2 TRP A 44 -1.044 -1.662 -1.490 1.00 0.68 C ATOM 571 NE1 TRP A 44 -1.560 0.485 -1.199 1.00 1.33 N ATOM 572 CE2 TRP A 44 -0.538 -0.422 -1.092 1.00 0.88 C ATOM 573 CE3 TRP A 44 -0.212 -2.756 -1.471 1.00 0.82 C ATOM 574 CZ2 TRP A 44 0.787 -0.260 -0.691 1.00 0.80 C ATOM 575 CZ3 TRP A 44 1.092 -2.604 -1.075 1.00 0.84 C ATOM 576 CH2 TRP A 44 1.585 -1.364 -0.692 1.00 0.60 C ATOM 0 H TRP A 44 -4.311 -4.036 -4.116 1.00 1.25 H new ATOM 0 HA TRP A 44 -5.290 -1.792 -2.566 1.00 0.97 H new ATOM 0 HB2 TRP A 44 -3.702 -3.137 -1.516 1.00 0.87 H new ATOM 0 HB3 TRP A 44 -2.714 -3.287 -2.956 1.00 0.87 H new ATOM 0 HD1 TRP A 44 -3.657 0.285 -1.770 1.00 1.24 H new ATOM 0 HE1 TRP A 44 -1.495 1.482 -0.992 1.00 1.33 H new ATOM 0 HE3 TRP A 44 -0.582 -3.727 -1.765 1.00 0.82 H new ATOM 0 HZ2 TRP A 44 1.167 0.705 -0.391 1.00 0.80 H new ATOM 0 HZ3 TRP A 44 1.746 -3.463 -1.061 1.00 0.84 H new ATOM 0 HH2 TRP A 44 2.618 -1.273 -0.390 1.00 0.60 H new ATOM 587 N VAL A 45 -4.486 0.205 -3.730 1.00 0.83 N ATOM 588 CA VAL A 45 -4.230 1.466 -4.440 1.00 0.83 C ATOM 589 C VAL A 45 -2.815 1.555 -5.049 1.00 0.65 C ATOM 590 O VAL A 45 -2.544 2.422 -5.874 1.00 0.73 O ATOM 591 CB VAL A 45 -4.428 2.658 -3.468 1.00 1.00 C ATOM 592 CG1 VAL A 45 -4.456 3.989 -4.208 1.00 1.21 C ATOM 593 CG2 VAL A 45 -5.695 2.481 -2.638 1.00 1.20 C ATOM 0 H VAL A 45 -4.935 0.345 -2.825 1.00 0.83 H new ATOM 0 HA VAL A 45 -4.940 1.503 -5.266 1.00 0.83 H new ATOM 0 HB VAL A 45 -3.572 2.671 -2.794 1.00 1.00 H new ATOM 0 HG11 VAL A 45 -4.596 4.800 -3.493 1.00 1.21 H new ATOM 0 HG12 VAL A 45 -3.514 4.131 -4.737 1.00 1.21 H new ATOM 0 HG13 VAL A 45 -5.278 3.990 -4.924 1.00 1.21 H new ATOM 0 HG21 VAL A 45 -5.810 3.330 -1.965 1.00 1.20 H new ATOM 0 HG22 VAL A 45 -6.559 2.423 -3.300 1.00 1.20 H new ATOM 0 HG23 VAL A 45 -5.623 1.563 -2.055 1.00 1.20 H new ATOM 603 N VAL A 46 -1.907 0.678 -4.652 1.00 0.48 N ATOM 604 CA VAL A 46 -0.567 0.694 -5.217 1.00 0.34 C ATOM 605 C VAL A 46 -0.476 -0.130 -6.494 1.00 0.33 C ATOM 606 O VAL A 46 0.329 0.170 -7.369 1.00 0.40 O ATOM 607 CB VAL A 46 0.502 0.237 -4.184 1.00 0.33 C ATOM 608 CG1 VAL A 46 1.667 -0.475 -4.849 1.00 0.66 C ATOM 609 CG2 VAL A 46 1.013 1.443 -3.423 1.00 0.53 C ATOM 0 H VAL A 46 -2.069 -0.045 -3.951 1.00 0.48 H new ATOM 0 HA VAL A 46 -0.354 1.730 -5.479 1.00 0.34 H new ATOM 0 HB VAL A 46 0.028 -0.469 -3.502 1.00 0.33 H new ATOM 0 HG11 VAL A 46 2.390 -0.777 -4.091 1.00 0.66 H new ATOM 0 HG12 VAL A 46 1.302 -1.358 -5.374 1.00 0.66 H new ATOM 0 HG13 VAL A 46 2.147 0.198 -5.560 1.00 0.66 H new ATOM 0 HG21 VAL A 46 1.762 1.125 -2.698 1.00 0.53 H new ATOM 0 HG22 VAL A 46 1.460 2.151 -4.121 1.00 0.53 H new ATOM 0 HG23 VAL A 46 0.184 1.922 -2.902 1.00 0.53 H new ATOM 619 N GLY A 47 -1.336 -1.125 -6.636 1.00 0.42 N ATOM 620 CA GLY A 47 -1.308 -1.959 -7.827 1.00 0.54 C ATOM 621 C GLY A 47 -1.589 -1.168 -9.095 1.00 0.56 C ATOM 622 O GLY A 47 -1.399 -1.662 -10.202 1.00 0.72 O ATOM 0 H GLY A 47 -2.052 -1.373 -5.953 1.00 0.42 H new ATOM 0 HA2 GLY A 47 -0.332 -2.438 -7.909 1.00 0.54 H new ATOM 0 HA3 GLY A 47 -2.046 -2.755 -7.727 1.00 0.54 H new ATOM 626 N LYS A 48 -2.037 0.071 -8.929 1.00 0.49 N ATOM 627 CA LYS A 48 -2.358 0.923 -10.056 1.00 0.60 C ATOM 628 C LYS A 48 -1.260 1.951 -10.333 1.00 0.54 C ATOM 629 O LYS A 48 -1.072 2.368 -11.473 1.00 0.67 O ATOM 630 CB LYS A 48 -3.694 1.624 -9.811 1.00 0.76 C ATOM 631 CG LYS A 48 -3.837 2.239 -8.430 1.00 0.94 C ATOM 632 CD LYS A 48 -5.249 2.752 -8.163 1.00 1.43 C ATOM 633 CE LYS A 48 -6.244 1.622 -7.907 1.00 2.26 C ATOM 634 NZ LYS A 48 -6.654 0.912 -9.150 1.00 2.97 N ATOM 0 H LYS A 48 -2.185 0.505 -8.018 1.00 0.49 H new ATOM 0 HA LYS A 48 -2.434 0.289 -10.940 1.00 0.60 H new ATOM 0 HB2 LYS A 48 -3.822 2.407 -10.559 1.00 0.76 H new ATOM 0 HB3 LYS A 48 -4.500 0.906 -9.960 1.00 0.76 H new ATOM 0 HG2 LYS A 48 -3.575 1.497 -7.676 1.00 0.94 H new ATOM 0 HG3 LYS A 48 -3.129 3.062 -8.327 1.00 0.94 H new ATOM 0 HD2 LYS A 48 -5.233 3.419 -7.301 1.00 1.43 H new ATOM 0 HD3 LYS A 48 -5.585 3.341 -9.016 1.00 1.43 H new ATOM 0 HE2 LYS A 48 -5.801 0.905 -7.216 1.00 2.26 H new ATOM 0 HE3 LYS A 48 -7.130 2.029 -7.419 1.00 2.26 H new ATOM 0 HZ1 LYS A 48 -7.539 0.394 -8.978 1.00 2.97 H new ATOM 0 HZ2 LYS A 48 -6.800 1.604 -9.913 1.00 2.97 H new ATOM 0 HZ3 LYS A 48 -5.909 0.242 -9.429 1.00 2.97 H new ATOM 648 N ASP A 49 -0.514 2.335 -9.303 1.00 0.45 N ATOM 649 CA ASP A 49 0.501 3.380 -9.455 1.00 0.50 C ATOM 650 C ASP A 49 1.901 2.805 -9.237 1.00 0.40 C ATOM 651 O ASP A 49 2.895 3.534 -9.220 1.00 0.40 O ATOM 652 CB ASP A 49 0.227 4.541 -8.483 1.00 0.68 C ATOM 653 CG ASP A 49 1.091 5.767 -8.757 1.00 1.09 C ATOM 654 OD1 ASP A 49 1.375 6.055 -9.939 1.00 1.58 O ATOM 655 OD2 ASP A 49 1.479 6.454 -7.786 1.00 1.83 O ATOM 0 H ASP A 49 -0.588 1.946 -8.363 1.00 0.45 H new ATOM 0 HA ASP A 49 0.449 3.768 -10.472 1.00 0.50 H new ATOM 0 HB2 ASP A 49 -0.824 4.822 -8.550 1.00 0.68 H new ATOM 0 HB3 ASP A 49 0.402 4.201 -7.462 1.00 0.68 H new ATOM 660 N LYS A 50 1.975 1.483 -9.094 1.00 0.37 N ATOM 661 CA LYS A 50 3.246 0.796 -8.938 1.00 0.35 C ATOM 662 C LYS A 50 4.200 1.103 -10.089 1.00 0.35 C ATOM 663 O LYS A 50 5.374 1.319 -9.837 1.00 0.35 O ATOM 664 CB LYS A 50 3.086 -0.727 -8.831 1.00 0.39 C ATOM 665 CG LYS A 50 4.426 -1.420 -8.620 1.00 0.48 C ATOM 666 CD LYS A 50 4.372 -2.907 -8.901 1.00 0.63 C ATOM 667 CE LYS A 50 5.779 -3.482 -8.946 1.00 0.80 C ATOM 668 NZ LYS A 50 5.787 -4.934 -9.250 1.00 1.13 N ATOM 0 H LYS A 50 1.162 0.867 -9.084 1.00 0.37 H new ATOM 0 HA LYS A 50 3.663 1.171 -8.004 1.00 0.35 H new ATOM 0 HB2 LYS A 50 2.418 -0.966 -8.003 1.00 0.39 H new ATOM 0 HB3 LYS A 50 2.618 -1.109 -9.738 1.00 0.39 H new ATOM 0 HG2 LYS A 50 5.173 -0.960 -9.267 1.00 0.48 H new ATOM 0 HG3 LYS A 50 4.753 -1.261 -7.593 1.00 0.48 H new ATOM 0 HD2 LYS A 50 3.790 -3.410 -8.129 1.00 0.63 H new ATOM 0 HD3 LYS A 50 3.867 -3.088 -9.850 1.00 0.63 H new ATOM 0 HE2 LYS A 50 6.361 -2.952 -9.700 1.00 0.80 H new ATOM 0 HE3 LYS A 50 6.269 -3.312 -7.987 1.00 0.80 H new ATOM 0 HZ1 LYS A 50 6.704 -5.197 -9.664 1.00 1.13 H new ATOM 0 HZ2 LYS A 50 5.635 -5.473 -8.374 1.00 1.13 H new ATOM 0 HZ3 LYS A 50 5.027 -5.151 -9.926 1.00 1.13 H new ATOM 682 N PRO A 51 3.735 1.108 -11.368 1.00 0.39 N ATOM 683 CA PRO A 51 4.586 1.419 -12.519 1.00 0.43 C ATOM 684 C PRO A 51 5.483 2.633 -12.296 1.00 0.37 C ATOM 685 O PRO A 51 6.594 2.685 -12.814 1.00 0.36 O ATOM 686 CB PRO A 51 3.597 1.685 -13.663 1.00 0.56 C ATOM 687 CG PRO A 51 2.229 1.587 -13.064 1.00 0.55 C ATOM 688 CD PRO A 51 2.374 0.776 -11.814 1.00 0.45 C ATOM 0 HA PRO A 51 5.276 0.600 -12.721 1.00 0.43 H new ATOM 0 HB2 PRO A 51 3.762 2.671 -14.098 1.00 0.56 H new ATOM 0 HB3 PRO A 51 3.724 0.957 -14.464 1.00 0.56 H new ATOM 0 HG2 PRO A 51 1.830 2.577 -12.841 1.00 0.55 H new ATOM 0 HG3 PRO A 51 1.534 1.112 -13.757 1.00 0.55 H new ATOM 0 HD2 PRO A 51 1.627 1.045 -11.068 1.00 0.45 H new ATOM 0 HD3 PRO A 51 2.261 -0.291 -12.008 1.00 0.45 H new ATOM 696 N THR A 52 5.011 3.576 -11.490 1.00 0.36 N ATOM 697 CA THR A 52 5.755 4.787 -11.202 1.00 0.36 C ATOM 698 C THR A 52 6.921 4.472 -10.266 1.00 0.29 C ATOM 699 O THR A 52 8.062 4.893 -10.476 1.00 0.32 O ATOM 700 CB THR A 52 4.830 5.833 -10.543 1.00 0.44 C ATOM 701 OG1 THR A 52 3.654 6.020 -11.347 1.00 0.60 O ATOM 702 CG2 THR A 52 5.541 7.164 -10.367 1.00 0.50 C ATOM 0 H THR A 52 4.106 3.520 -11.022 1.00 0.36 H new ATOM 0 HA THR A 52 6.143 5.191 -12.137 1.00 0.36 H new ATOM 0 HB THR A 52 4.549 5.461 -9.558 1.00 0.44 H new ATOM 0 HG1 THR A 52 2.898 6.259 -10.771 1.00 0.60 H new ATOM 0 HG21 THR A 52 4.864 7.879 -9.901 1.00 0.50 H new ATOM 0 HG22 THR A 52 6.417 7.027 -9.733 1.00 0.50 H new ATOM 0 HG23 THR A 52 5.853 7.541 -11.341 1.00 0.50 H new ATOM 710 N TYR A 53 6.641 3.672 -9.257 1.00 0.25 N ATOM 711 CA TYR A 53 7.635 3.381 -8.239 1.00 0.24 C ATOM 712 C TYR A 53 8.568 2.287 -8.719 1.00 0.22 C ATOM 713 O TYR A 53 9.711 2.191 -8.290 1.00 0.24 O ATOM 714 CB TYR A 53 6.967 2.884 -6.972 1.00 0.27 C ATOM 715 CG TYR A 53 5.661 3.553 -6.611 1.00 0.31 C ATOM 716 CD1 TYR A 53 5.543 4.933 -6.536 1.00 0.81 C ATOM 717 CD2 TYR A 53 4.536 2.785 -6.342 1.00 0.64 C ATOM 718 CE1 TYR A 53 4.343 5.523 -6.199 1.00 0.94 C ATOM 719 CE2 TYR A 53 3.337 3.368 -6.002 1.00 0.68 C ATOM 720 CZ TYR A 53 3.244 4.733 -5.931 1.00 0.62 C ATOM 721 OH TYR A 53 2.044 5.311 -5.588 1.00 0.79 O ATOM 0 H TYR A 53 5.740 3.214 -9.119 1.00 0.25 H new ATOM 0 HA TYR A 53 8.187 4.300 -8.042 1.00 0.24 H new ATOM 0 HB2 TYR A 53 6.789 1.813 -7.074 1.00 0.27 H new ATOM 0 HB3 TYR A 53 7.662 3.014 -6.142 1.00 0.27 H new ATOM 0 HD1 TYR A 53 6.402 5.553 -6.744 1.00 0.81 H new ATOM 0 HD2 TYR A 53 4.603 1.709 -6.401 1.00 0.64 H new ATOM 0 HE1 TYR A 53 4.264 6.599 -6.145 1.00 0.94 H new ATOM 0 HE2 TYR A 53 2.474 2.753 -5.792 1.00 0.68 H new ATOM 0 HH TYR A 53 1.742 5.894 -6.315 1.00 0.79 H new ATOM 731 N ASP A 54 8.058 1.481 -9.633 1.00 0.21 N ATOM 732 CA ASP A 54 8.800 0.365 -10.209 1.00 0.23 C ATOM 733 C ASP A 54 9.780 0.888 -11.250 1.00 0.22 C ATOM 734 O ASP A 54 10.896 0.383 -11.389 1.00 0.23 O ATOM 735 CB ASP A 54 7.800 -0.612 -10.842 1.00 0.31 C ATOM 736 CG ASP A 54 8.429 -1.649 -11.756 1.00 0.58 C ATOM 737 OD1 ASP A 54 8.751 -1.314 -12.911 1.00 1.14 O ATOM 738 OD2 ASP A 54 8.656 -2.786 -11.294 1.00 1.16 O ATOM 0 H ASP A 54 7.112 1.580 -10.001 1.00 0.21 H new ATOM 0 HA ASP A 54 9.368 -0.154 -9.437 1.00 0.23 H new ATOM 0 HB2 ASP A 54 7.260 -1.126 -10.047 1.00 0.31 H new ATOM 0 HB3 ASP A 54 7.065 -0.043 -11.410 1.00 0.31 H new ATOM 743 N GLU A 55 9.365 1.926 -11.975 1.00 0.24 N ATOM 744 CA GLU A 55 10.249 2.561 -12.942 1.00 0.28 C ATOM 745 C GLU A 55 11.382 3.269 -12.216 1.00 0.29 C ATOM 746 O GLU A 55 12.521 3.241 -12.671 1.00 0.35 O ATOM 747 CB GLU A 55 9.481 3.517 -13.873 1.00 0.35 C ATOM 748 CG GLU A 55 8.903 4.743 -13.195 1.00 0.40 C ATOM 749 CD GLU A 55 9.675 6.000 -13.532 1.00 0.88 C ATOM 750 OE1 GLU A 55 10.663 6.301 -12.843 1.00 1.63 O ATOM 751 OE2 GLU A 55 9.304 6.688 -14.506 1.00 1.38 O ATOM 0 H GLU A 55 8.434 2.338 -11.911 1.00 0.24 H new ATOM 0 HA GLU A 55 10.678 1.788 -13.580 1.00 0.28 H new ATOM 0 HB2 GLU A 55 10.151 3.842 -14.669 1.00 0.35 H new ATOM 0 HB3 GLU A 55 8.669 2.965 -14.346 1.00 0.35 H new ATOM 0 HG2 GLU A 55 7.863 4.866 -13.496 1.00 0.40 H new ATOM 0 HG3 GLU A 55 8.907 4.595 -12.115 1.00 0.40 H new ATOM 758 N ILE A 56 11.084 3.861 -11.061 1.00 0.27 N ATOM 759 CA ILE A 56 12.134 4.440 -10.233 1.00 0.30 C ATOM 760 C ILE A 56 12.978 3.319 -9.622 1.00 0.27 C ATOM 761 O ILE A 56 14.192 3.446 -9.467 1.00 0.30 O ATOM 762 CB ILE A 56 11.547 5.336 -9.122 1.00 0.34 C ATOM 763 CG1 ILE A 56 10.617 6.388 -9.733 1.00 0.42 C ATOM 764 CG2 ILE A 56 12.667 6.014 -8.340 1.00 0.36 C ATOM 765 CD1 ILE A 56 9.769 7.113 -8.715 1.00 0.61 C ATOM 0 H ILE A 56 10.140 3.951 -10.684 1.00 0.27 H new ATOM 0 HA ILE A 56 12.763 5.069 -10.863 1.00 0.30 H new ATOM 0 HB ILE A 56 10.973 4.713 -8.436 1.00 0.34 H new ATOM 0 HG12 ILE A 56 11.216 7.117 -10.279 1.00 0.42 H new ATOM 0 HG13 ILE A 56 9.963 5.905 -10.459 1.00 0.42 H new ATOM 0 HG21 ILE A 56 12.237 6.643 -7.560 1.00 0.36 H new ATOM 0 HG22 ILE A 56 13.304 5.255 -7.885 1.00 0.36 H new ATOM 0 HG23 ILE A 56 13.261 6.629 -9.015 1.00 0.36 H new ATOM 0 HD11 ILE A 56 9.136 7.842 -9.221 1.00 0.61 H new ATOM 0 HD12 ILE A 56 9.143 6.395 -8.185 1.00 0.61 H new ATOM 0 HD13 ILE A 56 10.415 7.626 -8.002 1.00 0.61 H new ATOM 777 N PHE A 57 12.317 2.207 -9.326 1.00 0.24 N ATOM 778 CA PHE A 57 12.960 1.017 -8.777 1.00 0.22 C ATOM 779 C PHE A 57 14.094 0.532 -9.678 1.00 0.24 C ATOM 780 O PHE A 57 15.243 0.440 -9.248 1.00 0.32 O ATOM 781 CB PHE A 57 11.905 -0.079 -8.595 1.00 0.20 C ATOM 782 CG PHE A 57 12.431 -1.394 -8.112 1.00 0.19 C ATOM 783 CD1 PHE A 57 12.787 -1.575 -6.786 1.00 0.83 C ATOM 784 CD2 PHE A 57 12.546 -2.461 -8.983 1.00 0.85 C ATOM 785 CE1 PHE A 57 13.248 -2.794 -6.345 1.00 0.83 C ATOM 786 CE2 PHE A 57 13.002 -3.684 -8.545 1.00 0.88 C ATOM 787 CZ PHE A 57 13.355 -3.852 -7.226 1.00 0.28 C ATOM 0 H PHE A 57 11.311 2.104 -9.461 1.00 0.24 H new ATOM 0 HA PHE A 57 13.401 1.265 -7.811 1.00 0.22 H new ATOM 0 HB2 PHE A 57 11.154 0.275 -7.889 1.00 0.20 H new ATOM 0 HB3 PHE A 57 11.399 -0.236 -9.547 1.00 0.20 H new ATOM 0 HD1 PHE A 57 12.702 -0.752 -6.092 1.00 0.83 H new ATOM 0 HD2 PHE A 57 12.275 -2.334 -10.021 1.00 0.85 H new ATOM 0 HE1 PHE A 57 13.526 -2.923 -5.310 1.00 0.83 H new ATOM 0 HE2 PHE A 57 13.082 -4.510 -9.236 1.00 0.88 H new ATOM 0 HZ PHE A 57 13.715 -4.810 -6.880 1.00 0.28 H new ATOM 797 N TYR A 58 13.776 0.241 -10.937 1.00 0.26 N ATOM 798 CA TYR A 58 14.788 -0.215 -11.892 1.00 0.29 C ATOM 799 C TYR A 58 15.766 0.909 -12.234 1.00 0.33 C ATOM 800 O TYR A 58 16.902 0.660 -12.635 1.00 0.37 O ATOM 801 CB TYR A 58 14.128 -0.756 -13.163 1.00 0.33 C ATOM 802 CG TYR A 58 13.506 -2.121 -12.986 1.00 0.34 C ATOM 803 CD1 TYR A 58 12.251 -2.262 -12.410 1.00 1.00 C ATOM 804 CD2 TYR A 58 14.171 -3.267 -13.396 1.00 0.88 C ATOM 805 CE1 TYR A 58 11.674 -3.508 -12.253 1.00 1.03 C ATOM 806 CE2 TYR A 58 13.598 -4.515 -13.246 1.00 0.92 C ATOM 807 CZ TYR A 58 12.375 -4.638 -12.644 1.00 0.50 C ATOM 808 OH TYR A 58 11.776 -5.873 -12.528 1.00 0.61 O ATOM 0 H TYR A 58 12.833 0.311 -11.320 1.00 0.26 H new ATOM 0 HA TYR A 58 15.350 -1.023 -11.424 1.00 0.29 H new ATOM 0 HB2 TYR A 58 13.360 -0.055 -13.490 1.00 0.33 H new ATOM 0 HB3 TYR A 58 14.873 -0.805 -13.957 1.00 0.33 H new ATOM 0 HD1 TYR A 58 11.717 -1.384 -12.079 1.00 1.00 H new ATOM 0 HD2 TYR A 58 15.152 -3.182 -13.839 1.00 0.88 H new ATOM 0 HE1 TYR A 58 10.685 -3.600 -11.829 1.00 1.03 H new ATOM 0 HE2 TYR A 58 14.115 -5.393 -13.604 1.00 0.92 H new ATOM 0 HH TYR A 58 12.392 -6.566 -12.843 1.00 0.61 H new ATOM 818 N THR A 59 15.323 2.139 -12.041 1.00 0.33 N ATOM 819 CA THR A 59 16.159 3.306 -12.261 1.00 0.38 C ATOM 820 C THR A 59 17.255 3.398 -11.190 1.00 0.38 C ATOM 821 O THR A 59 18.345 3.914 -11.440 1.00 0.44 O ATOM 822 CB THR A 59 15.292 4.590 -12.280 1.00 0.40 C ATOM 823 OG1 THR A 59 14.505 4.625 -13.480 1.00 0.44 O ATOM 824 CG2 THR A 59 16.123 5.853 -12.192 1.00 0.44 C ATOM 0 H THR A 59 14.377 2.357 -11.728 1.00 0.33 H new ATOM 0 HA THR A 59 16.647 3.207 -13.231 1.00 0.38 H new ATOM 0 HB THR A 59 14.649 4.556 -11.401 1.00 0.40 H new ATOM 0 HG1 THR A 59 13.569 4.431 -13.263 1.00 0.44 H new ATOM 0 HG21 THR A 59 15.466 6.723 -12.209 1.00 0.44 H new ATOM 0 HG22 THR A 59 16.695 5.848 -11.264 1.00 0.44 H new ATOM 0 HG23 THR A 59 16.807 5.898 -13.039 1.00 0.44 H new ATOM 832 N LEU A 60 16.979 2.859 -10.007 1.00 0.33 N ATOM 833 CA LEU A 60 17.954 2.868 -8.921 1.00 0.35 C ATOM 834 C LEU A 60 18.880 1.652 -9.003 1.00 0.36 C ATOM 835 O LEU A 60 19.822 1.536 -8.220 1.00 0.45 O ATOM 836 CB LEU A 60 17.249 2.895 -7.560 1.00 0.35 C ATOM 837 CG LEU A 60 16.384 4.124 -7.286 1.00 0.49 C ATOM 838 CD1 LEU A 60 15.857 4.075 -5.867 1.00 0.79 C ATOM 839 CD2 LEU A 60 17.173 5.402 -7.510 1.00 0.76 C ATOM 0 H LEU A 60 16.092 2.412 -9.776 1.00 0.33 H new ATOM 0 HA LEU A 60 18.557 3.770 -9.025 1.00 0.35 H new ATOM 0 HB2 LEU A 60 16.622 2.007 -7.479 1.00 0.35 H new ATOM 0 HB3 LEU A 60 18.005 2.824 -6.778 1.00 0.35 H new ATOM 0 HG LEU A 60 15.544 4.119 -7.981 1.00 0.49 H new ATOM 0 HD11 LEU A 60 15.241 4.954 -5.677 1.00 0.79 H new ATOM 0 HD12 LEU A 60 15.257 3.175 -5.733 1.00 0.79 H new ATOM 0 HD13 LEU A 60 16.694 4.061 -5.168 1.00 0.79 H new ATOM 0 HD21 LEU A 60 16.536 6.263 -7.309 1.00 0.76 H new ATOM 0 HD22 LEU A 60 18.032 5.422 -6.839 1.00 0.76 H new ATOM 0 HD23 LEU A 60 17.518 5.440 -8.543 1.00 0.76 H new ATOM 851 N SER A 61 18.601 0.770 -9.968 1.00 0.33 N ATOM 852 CA SER A 61 19.375 -0.458 -10.186 1.00 0.36 C ATOM 853 C SER A 61 19.170 -1.460 -9.049 1.00 0.33 C ATOM 854 O SER A 61 19.930 -1.491 -8.080 1.00 0.37 O ATOM 855 CB SER A 61 20.867 -0.151 -10.374 1.00 0.45 C ATOM 856 OG SER A 61 21.618 -1.335 -10.598 1.00 0.64 O ATOM 0 H SER A 61 17.828 0.888 -10.623 1.00 0.33 H new ATOM 0 HA SER A 61 19.004 -0.913 -11.104 1.00 0.36 H new ATOM 0 HB2 SER A 61 20.996 0.528 -11.217 1.00 0.45 H new ATOM 0 HB3 SER A 61 21.248 0.361 -9.491 1.00 0.45 H new ATOM 0 HG SER A 61 22.563 -1.105 -10.715 1.00 0.64 H new ATOM 862 N PRO A 62 18.124 -2.292 -9.160 1.00 0.29 N ATOM 863 CA PRO A 62 17.819 -3.320 -8.167 1.00 0.31 C ATOM 864 C PRO A 62 18.722 -4.547 -8.266 1.00 0.32 C ATOM 865 O PRO A 62 19.230 -4.885 -9.340 1.00 0.46 O ATOM 866 CB PRO A 62 16.379 -3.709 -8.495 1.00 0.37 C ATOM 867 CG PRO A 62 16.217 -3.418 -9.946 1.00 0.36 C ATOM 868 CD PRO A 62 17.137 -2.271 -10.258 1.00 0.29 C ATOM 0 HA PRO A 62 17.970 -2.945 -7.155 1.00 0.31 H new ATOM 0 HB2 PRO A 62 16.197 -4.762 -8.282 1.00 0.37 H new ATOM 0 HB3 PRO A 62 15.670 -3.136 -7.897 1.00 0.37 H new ATOM 0 HG2 PRO A 62 16.469 -4.292 -10.547 1.00 0.36 H new ATOM 0 HG3 PRO A 62 15.183 -3.160 -10.177 1.00 0.36 H new ATOM 0 HD2 PRO A 62 17.617 -2.398 -11.228 1.00 0.29 H new ATOM 0 HD3 PRO A 62 16.597 -1.325 -10.291 1.00 0.29 H new ATOM 876 N VAL A 63 18.912 -5.210 -7.135 1.00 0.33 N ATOM 877 CA VAL A 63 19.690 -6.429 -7.067 1.00 0.42 C ATOM 878 C VAL A 63 18.836 -7.589 -6.554 1.00 0.44 C ATOM 879 O VAL A 63 18.245 -7.511 -5.476 1.00 0.45 O ATOM 880 CB VAL A 63 20.938 -6.252 -6.170 1.00 0.58 C ATOM 881 CG1 VAL A 63 21.967 -5.358 -6.851 1.00 1.33 C ATOM 882 CG2 VAL A 63 20.557 -5.685 -4.806 1.00 1.28 C ATOM 0 H VAL A 63 18.528 -4.913 -6.238 1.00 0.33 H new ATOM 0 HA VAL A 63 20.027 -6.659 -8.078 1.00 0.42 H new ATOM 0 HB VAL A 63 21.382 -7.235 -6.016 1.00 0.58 H new ATOM 0 HG11 VAL A 63 22.837 -5.246 -6.204 1.00 1.33 H new ATOM 0 HG12 VAL A 63 22.273 -5.809 -7.795 1.00 1.33 H new ATOM 0 HG13 VAL A 63 21.528 -4.379 -7.042 1.00 1.33 H new ATOM 0 HG21 VAL A 63 21.453 -5.571 -4.196 1.00 1.28 H new ATOM 0 HG22 VAL A 63 20.080 -4.713 -4.936 1.00 1.28 H new ATOM 0 HG23 VAL A 63 19.865 -6.365 -4.310 1.00 1.28 H new ATOM 892 N ASN A 64 18.735 -8.642 -7.366 1.00 0.54 N ATOM 893 CA ASN A 64 18.012 -9.866 -6.997 1.00 0.63 C ATOM 894 C ASN A 64 16.521 -9.607 -6.778 1.00 0.55 C ATOM 895 O ASN A 64 15.839 -10.366 -6.086 1.00 0.60 O ATOM 896 CB ASN A 64 18.637 -10.508 -5.748 1.00 0.71 C ATOM 897 CG ASN A 64 19.791 -11.436 -6.087 1.00 1.08 C ATOM 898 OD1 ASN A 64 19.594 -12.637 -6.261 1.00 1.42 O ATOM 899 ND2 ASN A 64 20.997 -10.894 -6.190 1.00 1.67 N ATOM 0 H ASN A 64 19.150 -8.673 -8.297 1.00 0.54 H new ATOM 0 HA ASN A 64 18.102 -10.560 -7.833 1.00 0.63 H new ATOM 0 HB2 ASN A 64 18.990 -9.724 -5.078 1.00 0.71 H new ATOM 0 HB3 ASN A 64 17.872 -11.067 -5.209 1.00 0.71 H new ATOM 0 HD21 ASN A 64 21.801 -11.478 -6.421 1.00 1.67 H new ATOM 0 HD22 ASN A 64 21.121 -9.893 -6.038 1.00 1.67 H new ATOM 906 N GLY A 65 16.011 -8.553 -7.395 1.00 0.49 N ATOM 907 CA GLY A 65 14.598 -8.252 -7.298 1.00 0.50 C ATOM 908 C GLY A 65 14.259 -7.422 -6.080 1.00 0.39 C ATOM 909 O GLY A 65 13.251 -7.663 -5.421 1.00 0.49 O ATOM 0 H GLY A 65 16.551 -7.899 -7.962 1.00 0.49 H new ATOM 0 HA2 GLY A 65 14.282 -7.719 -8.195 1.00 0.50 H new ATOM 0 HA3 GLY A 65 14.034 -9.184 -7.266 1.00 0.50 H new ATOM 913 N LYS A 66 15.145 -6.502 -5.733 1.00 0.33 N ATOM 914 CA LYS A 66 14.860 -5.487 -4.733 1.00 0.26 C ATOM 915 C LYS A 66 15.980 -4.475 -4.715 1.00 0.21 C ATOM 916 O LYS A 66 17.063 -4.732 -5.231 1.00 0.27 O ATOM 917 CB LYS A 66 14.701 -6.074 -3.325 1.00 0.30 C ATOM 918 CG LYS A 66 15.969 -6.687 -2.760 1.00 0.75 C ATOM 919 CD LYS A 66 16.144 -8.132 -3.188 1.00 0.61 C ATOM 920 CE LYS A 66 15.252 -9.067 -2.383 1.00 1.21 C ATOM 921 NZ LYS A 66 13.840 -9.060 -2.862 1.00 1.82 N ATOM 0 H LYS A 66 16.080 -6.438 -6.136 1.00 0.33 H new ATOM 0 HA LYS A 66 13.914 -5.021 -5.007 1.00 0.26 H new ATOM 0 HB2 LYS A 66 14.360 -5.287 -2.652 1.00 0.30 H new ATOM 0 HB3 LYS A 66 13.921 -6.835 -3.347 1.00 0.30 H new ATOM 0 HG2 LYS A 66 16.830 -6.105 -3.089 1.00 0.75 H new ATOM 0 HG3 LYS A 66 15.944 -6.632 -1.672 1.00 0.75 H new ATOM 0 HD2 LYS A 66 15.911 -8.229 -4.248 1.00 0.61 H new ATOM 0 HD3 LYS A 66 17.186 -8.425 -3.063 1.00 0.61 H new ATOM 0 HE2 LYS A 66 15.647 -10.081 -2.441 1.00 1.21 H new ATOM 0 HE3 LYS A 66 15.278 -8.775 -1.333 1.00 1.21 H new ATOM 0 HZ1 LYS A 66 13.462 -10.029 -2.843 1.00 1.82 H new ATOM 0 HZ2 LYS A 66 13.266 -8.452 -2.243 1.00 1.82 H new ATOM 0 HZ3 LYS A 66 13.805 -8.694 -3.835 1.00 1.82 H new ATOM 935 N ILE A 67 15.720 -3.331 -4.130 1.00 0.18 N ATOM 936 CA ILE A 67 16.769 -2.373 -3.883 1.00 0.20 C ATOM 937 C ILE A 67 17.334 -2.581 -2.498 1.00 0.19 C ATOM 938 O ILE A 67 16.584 -2.787 -1.540 1.00 0.21 O ATOM 939 CB ILE A 67 16.284 -0.918 -4.014 1.00 0.25 C ATOM 940 CG1 ILE A 67 14.902 -0.756 -3.382 1.00 0.29 C ATOM 941 CG2 ILE A 67 16.284 -0.489 -5.471 1.00 0.41 C ATOM 942 CD1 ILE A 67 14.273 0.595 -3.623 1.00 0.35 C ATOM 0 H ILE A 67 14.793 -3.042 -3.817 1.00 0.18 H new ATOM 0 HA ILE A 67 17.535 -2.537 -4.641 1.00 0.20 H new ATOM 0 HB ILE A 67 16.973 -0.267 -3.476 1.00 0.25 H new ATOM 0 HG12 ILE A 67 14.241 -1.529 -3.775 1.00 0.29 H new ATOM 0 HG13 ILE A 67 14.983 -0.922 -2.308 1.00 0.29 H new ATOM 0 HG21 ILE A 67 15.939 0.542 -5.547 1.00 0.41 H new ATOM 0 HG22 ILE A 67 17.295 -0.563 -5.872 1.00 0.41 H new ATOM 0 HG23 ILE A 67 15.619 -1.137 -6.041 1.00 0.41 H new ATOM 0 HD11 ILE A 67 13.295 0.632 -3.143 1.00 0.35 H new ATOM 0 HD12 ILE A 67 14.911 1.373 -3.205 1.00 0.35 H new ATOM 0 HD13 ILE A 67 14.158 0.757 -4.695 1.00 0.35 H new ATOM 954 N THR A 68 18.651 -2.568 -2.400 1.00 0.24 N ATOM 955 CA THR A 68 19.294 -2.532 -1.109 1.00 0.30 C ATOM 956 C THR A 68 18.830 -1.278 -0.400 1.00 0.36 C ATOM 957 O THR A 68 18.775 -0.216 -1.004 1.00 0.70 O ATOM 958 CB THR A 68 20.829 -2.546 -1.236 1.00 0.44 C ATOM 959 OG1 THR A 68 21.253 -1.660 -2.284 1.00 0.65 O ATOM 960 CG2 THR A 68 21.332 -3.956 -1.514 1.00 0.55 C ATOM 0 H THR A 68 19.289 -2.582 -3.196 1.00 0.24 H new ATOM 0 HA THR A 68 19.021 -3.421 -0.540 1.00 0.30 H new ATOM 0 HB THR A 68 21.251 -2.204 -0.291 1.00 0.44 H new ATOM 0 HG1 THR A 68 20.471 -1.350 -2.787 1.00 0.65 H new ATOM 0 HG21 THR A 68 22.419 -3.944 -1.600 1.00 0.55 H new ATOM 0 HG22 THR A 68 21.040 -4.614 -0.696 1.00 0.55 H new ATOM 0 HG23 THR A 68 20.898 -4.320 -2.445 1.00 0.55 H new ATOM 968 N GLY A 69 18.467 -1.404 0.861 1.00 0.29 N ATOM 969 CA GLY A 69 17.761 -0.339 1.536 1.00 0.31 C ATOM 970 C GLY A 69 18.411 1.027 1.453 1.00 0.31 C ATOM 971 O GLY A 69 17.711 2.026 1.486 1.00 0.38 O ATOM 0 H GLY A 69 18.649 -2.228 1.434 1.00 0.29 H new ATOM 0 HA2 GLY A 69 16.756 -0.270 1.119 1.00 0.31 H new ATOM 0 HA3 GLY A 69 17.652 -0.607 2.587 1.00 0.31 H new ATOM 975 N ALA A 70 19.731 1.077 1.323 1.00 0.33 N ATOM 976 CA ALA A 70 20.443 2.346 1.145 1.00 0.37 C ATOM 977 C ALA A 70 19.919 3.136 -0.061 1.00 0.35 C ATOM 978 O ALA A 70 20.001 4.366 -0.092 1.00 0.39 O ATOM 979 CB ALA A 70 21.933 2.086 0.994 1.00 0.44 C ATOM 0 H ALA A 70 20.335 0.255 1.337 1.00 0.33 H new ATOM 0 HA ALA A 70 20.265 2.952 2.033 1.00 0.37 H new ATOM 0 HB1 ALA A 70 22.456 3.033 0.862 1.00 0.44 H new ATOM 0 HB2 ALA A 70 22.307 1.586 1.887 1.00 0.44 H new ATOM 0 HB3 ALA A 70 22.105 1.452 0.124 1.00 0.44 H new ATOM 985 N ASN A 71 19.374 2.430 -1.047 1.00 0.35 N ATOM 986 CA ASN A 71 18.876 3.065 -2.265 1.00 0.37 C ATOM 987 C ASN A 71 17.504 3.672 -1.997 1.00 0.34 C ATOM 988 O ASN A 71 17.161 4.742 -2.495 1.00 0.34 O ATOM 989 CB ASN A 71 18.771 2.060 -3.429 1.00 0.47 C ATOM 990 CG ASN A 71 19.796 0.928 -3.389 1.00 1.01 C ATOM 991 OD1 ASN A 71 19.539 -0.168 -3.887 1.00 2.11 O ATOM 992 ND2 ASN A 71 20.949 1.161 -2.784 1.00 1.00 N ATOM 0 H ASN A 71 19.265 1.416 -1.027 1.00 0.35 H new ATOM 0 HA ASN A 71 19.584 3.842 -2.552 1.00 0.37 H new ATOM 0 HB2 ASN A 71 17.771 1.627 -3.428 1.00 0.47 H new ATOM 0 HB3 ASN A 71 18.883 2.600 -4.369 1.00 0.47 H new ATOM 0 HD21 ASN A 71 21.651 0.423 -2.722 1.00 1.00 H new ATOM 0 HD22 ASN A 71 21.137 2.078 -2.380 1.00 1.00 H new ATOM 999 N ALA A 72 16.733 2.980 -1.184 1.00 0.35 N ATOM 1000 CA ALA A 72 15.420 3.448 -0.791 1.00 0.35 C ATOM 1001 C ALA A 72 15.548 4.556 0.239 1.00 0.31 C ATOM 1002 O ALA A 72 14.724 5.467 0.289 1.00 0.30 O ATOM 1003 CB ALA A 72 14.610 2.292 -0.250 1.00 0.42 C ATOM 0 H ALA A 72 16.997 2.082 -0.779 1.00 0.35 H new ATOM 0 HA ALA A 72 14.903 3.855 -1.660 1.00 0.35 H new ATOM 0 HB1 ALA A 72 13.622 2.646 0.045 1.00 0.42 H new ATOM 0 HB2 ALA A 72 14.506 1.528 -1.021 1.00 0.42 H new ATOM 0 HB3 ALA A 72 15.117 1.867 0.616 1.00 0.42 H new ATOM 1009 N LYS A 73 16.598 4.484 1.050 1.00 0.31 N ATOM 1010 CA LYS A 73 16.911 5.554 1.980 1.00 0.31 C ATOM 1011 C LYS A 73 17.275 6.787 1.185 1.00 0.29 C ATOM 1012 O LYS A 73 16.947 7.902 1.565 1.00 0.30 O ATOM 1013 CB LYS A 73 18.056 5.163 2.923 1.00 0.37 C ATOM 1014 CG LYS A 73 17.748 3.940 3.772 1.00 0.39 C ATOM 1015 CD LYS A 73 16.464 4.119 4.565 1.00 0.44 C ATOM 1016 CE LYS A 73 16.641 5.096 5.717 1.00 0.85 C ATOM 1017 NZ LYS A 73 17.573 4.565 6.745 1.00 1.69 N ATOM 0 H LYS A 73 17.244 3.695 1.079 1.00 0.31 H new ATOM 0 HA LYS A 73 16.039 5.753 2.603 1.00 0.31 H new ATOM 0 HB2 LYS A 73 18.953 4.971 2.334 1.00 0.37 H new ATOM 0 HB3 LYS A 73 18.280 6.004 3.579 1.00 0.37 H new ATOM 0 HG2 LYS A 73 17.661 3.063 3.130 1.00 0.39 H new ATOM 0 HG3 LYS A 73 18.576 3.753 4.456 1.00 0.39 H new ATOM 0 HD2 LYS A 73 15.675 4.477 3.903 1.00 0.44 H new ATOM 0 HD3 LYS A 73 16.140 3.154 4.954 1.00 0.44 H new ATOM 0 HE2 LYS A 73 17.020 6.044 5.336 1.00 0.85 H new ATOM 0 HE3 LYS A 73 15.673 5.301 6.174 1.00 0.85 H new ATOM 0 HZ1 LYS A 73 17.431 5.077 7.639 1.00 1.69 H new ATOM 0 HZ2 LYS A 73 17.387 3.552 6.892 1.00 1.69 H new ATOM 0 HZ3 LYS A 73 18.554 4.694 6.424 1.00 1.69 H new ATOM 1031 N LYS A 74 17.917 6.555 0.050 1.00 0.31 N ATOM 1032 CA LYS A 74 18.245 7.612 -0.888 1.00 0.34 C ATOM 1033 C LYS A 74 16.969 8.308 -1.345 1.00 0.31 C ATOM 1034 O LYS A 74 16.873 9.534 -1.325 1.00 0.33 O ATOM 1035 CB LYS A 74 18.966 7.020 -2.098 1.00 0.44 C ATOM 1036 CG LYS A 74 19.843 8.011 -2.820 1.00 0.83 C ATOM 1037 CD LYS A 74 21.098 8.282 -2.022 1.00 1.02 C ATOM 1038 CE LYS A 74 21.990 7.050 -1.956 1.00 0.96 C ATOM 1039 NZ LYS A 74 22.466 6.646 -3.305 1.00 1.35 N ATOM 0 H LYS A 74 18.224 5.628 -0.245 1.00 0.31 H new ATOM 0 HA LYS A 74 18.895 8.337 -0.398 1.00 0.34 H new ATOM 0 HB2 LYS A 74 19.576 6.178 -1.771 1.00 0.44 H new ATOM 0 HB3 LYS A 74 18.226 6.626 -2.795 1.00 0.44 H new ATOM 0 HG2 LYS A 74 20.107 7.624 -3.804 1.00 0.83 H new ATOM 0 HG3 LYS A 74 19.297 8.941 -2.979 1.00 0.83 H new ATOM 0 HD2 LYS A 74 21.648 9.107 -2.474 1.00 1.02 H new ATOM 0 HD3 LYS A 74 20.829 8.593 -1.013 1.00 1.02 H new ATOM 0 HE2 LYS A 74 22.846 7.254 -1.313 1.00 0.96 H new ATOM 0 HE3 LYS A 74 21.440 6.226 -1.502 1.00 0.96 H new ATOM 0 HZ1 LYS A 74 23.279 6.005 -3.209 1.00 1.35 H new ATOM 0 HZ2 LYS A 74 21.700 6.159 -3.812 1.00 1.35 H new ATOM 0 HZ3 LYS A 74 22.753 7.491 -3.839 1.00 1.35 H new ATOM 1053 N GLU A 75 15.997 7.501 -1.745 1.00 0.34 N ATOM 1054 CA GLU A 75 14.688 8.003 -2.185 1.00 0.38 C ATOM 1055 C GLU A 75 14.010 8.859 -1.119 1.00 0.34 C ATOM 1056 O GLU A 75 13.608 9.998 -1.373 1.00 0.38 O ATOM 1057 CB GLU A 75 13.767 6.839 -2.553 1.00 0.47 C ATOM 1058 CG GLU A 75 14.043 6.239 -3.918 1.00 0.62 C ATOM 1059 CD GLU A 75 13.889 7.250 -5.035 1.00 0.96 C ATOM 1060 OE1 GLU A 75 12.765 7.759 -5.228 1.00 1.36 O ATOM 1061 OE2 GLU A 75 14.892 7.539 -5.715 1.00 1.48 O ATOM 0 H GLU A 75 16.085 6.485 -1.777 1.00 0.34 H new ATOM 0 HA GLU A 75 14.868 8.629 -3.059 1.00 0.38 H new ATOM 0 HB2 GLU A 75 13.866 6.059 -1.798 1.00 0.47 H new ATOM 0 HB3 GLU A 75 12.733 7.184 -2.522 1.00 0.47 H new ATOM 0 HG2 GLU A 75 15.055 5.833 -3.936 1.00 0.62 H new ATOM 0 HG3 GLU A 75 13.362 5.405 -4.090 1.00 0.62 H new ATOM 1068 N MET A 76 13.889 8.323 0.074 1.00 0.31 N ATOM 1069 CA MET A 76 13.226 9.042 1.145 1.00 0.32 C ATOM 1070 C MET A 76 14.083 10.223 1.623 1.00 0.31 C ATOM 1071 O MET A 76 13.563 11.214 2.124 1.00 0.36 O ATOM 1072 CB MET A 76 12.863 8.087 2.284 1.00 0.33 C ATOM 1073 CG MET A 76 13.976 7.142 2.669 1.00 0.50 C ATOM 1074 SD MET A 76 13.509 6.037 4.016 1.00 0.65 S ATOM 1075 CE MET A 76 12.277 5.002 3.217 1.00 0.46 C ATOM 0 H MET A 76 14.237 7.399 0.329 1.00 0.31 H new ATOM 0 HA MET A 76 12.295 9.462 0.765 1.00 0.32 H new ATOM 0 HB2 MET A 76 12.578 8.672 3.158 1.00 0.33 H new ATOM 0 HB3 MET A 76 11.990 7.504 1.992 1.00 0.33 H new ATOM 0 HG2 MET A 76 14.262 6.550 1.800 1.00 0.50 H new ATOM 0 HG3 MET A 76 14.852 7.719 2.964 1.00 0.50 H new ATOM 0 HE1 MET A 76 11.899 4.270 3.931 1.00 0.46 H new ATOM 0 HE2 MET A 76 11.454 5.623 2.863 1.00 0.46 H new ATOM 0 HE3 MET A 76 12.730 4.484 2.372 1.00 0.46 H new ATOM 1085 N VAL A 77 15.390 10.139 1.422 1.00 0.30 N ATOM 1086 CA VAL A 77 16.277 11.268 1.698 1.00 0.34 C ATOM 1087 C VAL A 77 16.027 12.415 0.715 1.00 0.37 C ATOM 1088 O VAL A 77 15.900 13.574 1.117 1.00 0.41 O ATOM 1089 CB VAL A 77 17.768 10.842 1.646 1.00 0.39 C ATOM 1090 CG1 VAL A 77 18.676 12.011 1.287 1.00 0.59 C ATOM 1091 CG2 VAL A 77 18.188 10.250 2.982 1.00 0.42 C ATOM 0 H VAL A 77 15.862 9.306 1.070 1.00 0.30 H new ATOM 0 HA VAL A 77 16.054 11.615 2.707 1.00 0.34 H new ATOM 0 HB VAL A 77 17.870 10.089 0.865 1.00 0.39 H new ATOM 0 HG11 VAL A 77 19.712 11.672 1.261 1.00 0.59 H new ATOM 0 HG12 VAL A 77 18.397 12.401 0.308 1.00 0.59 H new ATOM 0 HG13 VAL A 77 18.570 12.797 2.035 1.00 0.59 H new ATOM 0 HG21 VAL A 77 19.236 9.954 2.935 1.00 0.42 H new ATOM 0 HG22 VAL A 77 18.056 10.994 3.767 1.00 0.42 H new ATOM 0 HG23 VAL A 77 17.574 9.377 3.202 1.00 0.42 H new ATOM 1101 N LYS A 78 15.925 12.089 -0.572 1.00 0.39 N ATOM 1102 CA LYS A 78 15.779 13.107 -1.608 1.00 0.45 C ATOM 1103 C LYS A 78 14.375 13.713 -1.602 1.00 0.48 C ATOM 1104 O LYS A 78 14.161 14.799 -2.140 1.00 0.59 O ATOM 1105 CB LYS A 78 16.085 12.515 -2.986 1.00 0.54 C ATOM 1106 CG LYS A 78 15.087 11.458 -3.416 1.00 0.76 C ATOM 1107 CD LYS A 78 15.407 10.885 -4.780 1.00 0.84 C ATOM 1108 CE LYS A 78 16.685 10.064 -4.767 1.00 1.08 C ATOM 1109 NZ LYS A 78 16.820 9.238 -5.994 1.00 1.20 N ATOM 0 H LYS A 78 15.941 11.131 -0.921 1.00 0.39 H new ATOM 0 HA LYS A 78 16.493 13.902 -1.392 1.00 0.45 H new ATOM 0 HB2 LYS A 78 16.096 13.317 -3.724 1.00 0.54 H new ATOM 0 HB3 LYS A 78 17.084 12.079 -2.973 1.00 0.54 H new ATOM 0 HG2 LYS A 78 15.074 10.654 -2.681 1.00 0.76 H new ATOM 0 HG3 LYS A 78 14.087 11.891 -3.432 1.00 0.76 H new ATOM 0 HD2 LYS A 78 14.578 10.261 -5.114 1.00 0.84 H new ATOM 0 HD3 LYS A 78 15.505 11.697 -5.500 1.00 0.84 H new ATOM 0 HE2 LYS A 78 17.544 10.729 -4.680 1.00 1.08 H new ATOM 0 HE3 LYS A 78 16.693 9.417 -3.890 1.00 1.08 H new ATOM 0 HZ1 LYS A 78 17.825 9.035 -6.167 1.00 1.20 H new ATOM 0 HZ2 LYS A 78 16.303 8.344 -5.870 1.00 1.20 H new ATOM 0 HZ3 LYS A 78 16.427 9.755 -6.806 1.00 1.20 H new ATOM 1123 N SER A 79 13.430 13.014 -0.976 1.00 0.44 N ATOM 1124 CA SER A 79 12.036 13.465 -0.924 1.00 0.51 C ATOM 1125 C SER A 79 11.860 14.745 -0.084 1.00 0.55 C ATOM 1126 O SER A 79 10.735 15.210 0.105 1.00 0.64 O ATOM 1127 CB SER A 79 11.137 12.350 -0.385 1.00 0.53 C ATOM 1128 OG SER A 79 11.411 12.071 0.974 1.00 1.37 O ATOM 0 H SER A 79 13.603 12.131 -0.496 1.00 0.44 H new ATOM 0 HA SER A 79 11.741 13.709 -1.945 1.00 0.51 H new ATOM 0 HB2 SER A 79 10.092 12.640 -0.494 1.00 0.53 H new ATOM 0 HB3 SER A 79 11.281 11.447 -0.978 1.00 0.53 H new ATOM 0 HG SER A 79 12.381 12.039 1.112 1.00 1.37 H new ATOM 1134 N LYS A 80 12.977 15.298 0.415 1.00 0.54 N ATOM 1135 CA LYS A 80 12.990 16.603 1.096 1.00 0.61 C ATOM 1136 C LYS A 80 12.392 16.496 2.492 1.00 0.62 C ATOM 1137 O LYS A 80 11.836 17.466 3.021 1.00 0.75 O ATOM 1138 CB LYS A 80 12.232 17.657 0.279 1.00 0.70 C ATOM 1139 CG LYS A 80 12.759 17.831 -1.135 1.00 1.01 C ATOM 1140 CD LYS A 80 11.926 18.827 -1.927 1.00 1.31 C ATOM 1141 CE LYS A 80 12.469 19.012 -3.335 1.00 1.94 C ATOM 1142 NZ LYS A 80 13.859 19.542 -3.326 1.00 2.65 N ATOM 0 H LYS A 80 13.894 14.855 0.358 1.00 0.54 H new ATOM 0 HA LYS A 80 14.030 16.916 1.187 1.00 0.61 H new ATOM 0 HB2 LYS A 80 11.179 17.379 0.233 1.00 0.70 H new ATOM 0 HB3 LYS A 80 12.287 18.614 0.798 1.00 0.70 H new ATOM 0 HG2 LYS A 80 13.794 18.170 -1.098 1.00 1.01 H new ATOM 0 HG3 LYS A 80 12.757 16.868 -1.645 1.00 1.01 H new ATOM 0 HD2 LYS A 80 10.893 18.481 -1.977 1.00 1.31 H new ATOM 0 HD3 LYS A 80 11.916 19.787 -1.411 1.00 1.31 H new ATOM 0 HE2 LYS A 80 12.447 18.058 -3.861 1.00 1.94 H new ATOM 0 HE3 LYS A 80 11.823 19.695 -3.887 1.00 1.94 H new ATOM 0 HZ1 LYS A 80 14.109 19.876 -4.278 1.00 2.65 H new ATOM 0 HZ2 LYS A 80 13.925 20.332 -2.653 1.00 2.65 H new ATOM 0 HZ3 LYS A 80 14.516 18.788 -3.040 1.00 2.65 H new ATOM 1156 N LEU A 81 12.524 15.328 3.093 1.00 0.66 N ATOM 1157 CA LEU A 81 11.961 15.080 4.408 1.00 0.69 C ATOM 1158 C LEU A 81 13.053 14.964 5.466 1.00 0.73 C ATOM 1159 O LEU A 81 14.224 14.757 5.135 1.00 0.75 O ATOM 1160 CB LEU A 81 11.139 13.795 4.382 1.00 0.70 C ATOM 1161 CG LEU A 81 10.060 13.733 3.298 1.00 0.68 C ATOM 1162 CD1 LEU A 81 9.369 12.384 3.309 1.00 1.16 C ATOM 1163 CD2 LEU A 81 9.045 14.844 3.486 1.00 1.08 C ATOM 0 H LEU A 81 13.019 14.532 2.689 1.00 0.66 H new ATOM 0 HA LEU A 81 11.322 15.925 4.667 1.00 0.69 H new ATOM 0 HB2 LEU A 81 11.817 12.952 4.246 1.00 0.70 H new ATOM 0 HB3 LEU A 81 10.663 13.668 5.354 1.00 0.70 H new ATOM 0 HG LEU A 81 10.544 13.868 2.331 1.00 0.68 H new ATOM 0 HD11 LEU A 81 8.606 12.360 2.531 1.00 1.16 H new ATOM 0 HD12 LEU A 81 10.101 11.598 3.123 1.00 1.16 H new ATOM 0 HD13 LEU A 81 8.902 12.222 4.281 1.00 1.16 H new ATOM 0 HD21 LEU A 81 8.288 14.781 2.705 1.00 1.08 H new ATOM 0 HD22 LEU A 81 8.570 14.741 4.461 1.00 1.08 H new ATOM 0 HD23 LEU A 81 9.547 15.810 3.427 1.00 1.08 H new ATOM 1175 N PRO A 82 12.684 15.105 6.748 1.00 0.78 N ATOM 1176 CA PRO A 82 13.601 14.901 7.857 1.00 0.84 C ATOM 1177 C PRO A 82 13.740 13.426 8.200 1.00 0.75 C ATOM 1178 O PRO A 82 12.798 12.645 8.017 1.00 0.70 O ATOM 1179 CB PRO A 82 12.936 15.660 9.001 1.00 0.95 C ATOM 1180 CG PRO A 82 11.478 15.569 8.712 1.00 0.91 C ATOM 1181 CD PRO A 82 11.338 15.485 7.216 1.00 0.82 C ATOM 0 HA PRO A 82 14.612 15.245 7.637 1.00 0.84 H new ATOM 0 HB2 PRO A 82 13.178 15.215 9.966 1.00 0.95 H new ATOM 0 HB3 PRO A 82 13.270 16.697 9.036 1.00 0.95 H new ATOM 0 HG2 PRO A 82 11.042 14.692 9.191 1.00 0.91 H new ATOM 0 HG3 PRO A 82 10.951 16.440 9.102 1.00 0.91 H new ATOM 0 HD2 PRO A 82 10.592 14.745 6.927 1.00 0.82 H new ATOM 0 HD3 PRO A 82 11.023 16.438 6.791 1.00 0.82 H new ATOM 1189 N ASN A 83 14.908 13.066 8.709 1.00 0.79 N ATOM 1190 CA ASN A 83 15.254 11.675 9.023 1.00 0.72 C ATOM 1191 C ASN A 83 14.196 10.985 9.883 1.00 0.65 C ATOM 1192 O ASN A 83 14.005 9.776 9.780 1.00 0.61 O ATOM 1193 CB ASN A 83 16.612 11.618 9.732 1.00 0.82 C ATOM 1194 CG ASN A 83 17.758 12.033 8.831 1.00 1.10 C ATOM 1195 OD1 ASN A 83 18.068 13.219 8.705 1.00 1.53 O ATOM 1196 ND2 ASN A 83 18.407 11.065 8.211 1.00 1.16 N ATOM 0 H ASN A 83 15.653 13.730 8.920 1.00 0.79 H new ATOM 0 HA ASN A 83 15.303 11.139 8.075 1.00 0.72 H new ATOM 0 HB2 ASN A 83 16.589 12.268 10.607 1.00 0.82 H new ATOM 0 HB3 ASN A 83 16.787 10.604 10.093 1.00 0.82 H new ATOM 0 HD21 ASN A 83 19.195 11.287 7.603 1.00 1.16 H new ATOM 0 HD22 ASN A 83 18.121 10.095 8.340 1.00 1.16 H new ATOM 1203 N THR A 84 13.501 11.751 10.711 1.00 0.67 N ATOM 1204 CA THR A 84 12.476 11.198 11.584 1.00 0.67 C ATOM 1205 C THR A 84 11.337 10.585 10.762 1.00 0.58 C ATOM 1206 O THR A 84 10.932 9.434 10.977 1.00 0.53 O ATOM 1207 CB THR A 84 11.917 12.296 12.500 1.00 0.77 C ATOM 1208 OG1 THR A 84 12.965 13.224 12.816 1.00 1.11 O ATOM 1209 CG2 THR A 84 11.357 11.710 13.785 1.00 1.24 C ATOM 0 H THR A 84 13.629 12.759 10.797 1.00 0.67 H new ATOM 0 HA THR A 84 12.930 10.415 12.192 1.00 0.67 H new ATOM 0 HB THR A 84 11.107 12.803 11.976 1.00 0.77 H new ATOM 0 HG1 THR A 84 12.613 13.928 13.399 1.00 1.11 H new ATOM 0 HG21 THR A 84 10.969 12.513 14.412 1.00 1.24 H new ATOM 0 HG22 THR A 84 10.552 11.014 13.547 1.00 1.24 H new ATOM 0 HG23 THR A 84 12.147 11.182 14.319 1.00 1.24 H new ATOM 1217 N VAL A 85 10.848 11.363 9.801 1.00 0.59 N ATOM 1218 CA VAL A 85 9.778 10.920 8.920 1.00 0.55 C ATOM 1219 C VAL A 85 10.237 9.737 8.087 1.00 0.49 C ATOM 1220 O VAL A 85 9.504 8.771 7.933 1.00 0.45 O ATOM 1221 CB VAL A 85 9.292 12.059 7.999 1.00 0.60 C ATOM 1222 CG1 VAL A 85 8.182 11.580 7.076 1.00 0.56 C ATOM 1223 CG2 VAL A 85 8.815 13.240 8.832 1.00 0.72 C ATOM 0 H VAL A 85 11.180 12.309 9.614 1.00 0.59 H new ATOM 0 HA VAL A 85 8.940 10.615 9.546 1.00 0.55 H new ATOM 0 HB VAL A 85 10.131 12.378 7.380 1.00 0.60 H new ATOM 0 HG11 VAL A 85 7.859 12.403 6.438 1.00 0.56 H new ATOM 0 HG12 VAL A 85 8.552 10.764 6.456 1.00 0.56 H new ATOM 0 HG13 VAL A 85 7.339 11.230 7.672 1.00 0.56 H new ATOM 0 HG21 VAL A 85 8.475 14.037 8.171 1.00 0.72 H new ATOM 0 HG22 VAL A 85 7.992 12.924 9.473 1.00 0.72 H new ATOM 0 HG23 VAL A 85 9.636 13.606 9.449 1.00 0.72 H new ATOM 1233 N LEU A 86 11.470 9.795 7.586 1.00 0.50 N ATOM 1234 CA LEU A 86 12.010 8.707 6.775 1.00 0.50 C ATOM 1235 C LEU A 86 12.133 7.437 7.593 1.00 0.40 C ATOM 1236 O LEU A 86 11.865 6.345 7.100 1.00 0.38 O ATOM 1237 CB LEU A 86 13.379 9.063 6.186 1.00 0.62 C ATOM 1238 CG LEU A 86 13.373 10.121 5.083 1.00 0.72 C ATOM 1239 CD1 LEU A 86 11.959 10.461 4.648 1.00 1.45 C ATOM 1240 CD2 LEU A 86 14.109 11.362 5.542 1.00 1.34 C ATOM 0 H LEU A 86 12.109 10.578 7.726 1.00 0.50 H new ATOM 0 HA LEU A 86 11.311 8.546 5.954 1.00 0.50 H new ATOM 0 HB2 LEU A 86 14.022 9.411 6.994 1.00 0.62 H new ATOM 0 HB3 LEU A 86 13.830 8.154 5.789 1.00 0.62 H new ATOM 0 HG LEU A 86 13.891 9.709 4.217 1.00 0.72 H new ATOM 0 HD11 LEU A 86 11.992 11.216 3.863 1.00 1.45 H new ATOM 0 HD12 LEU A 86 11.469 9.564 4.269 1.00 1.45 H new ATOM 0 HD13 LEU A 86 11.399 10.847 5.500 1.00 1.45 H new ATOM 0 HD21 LEU A 86 14.097 12.107 4.747 1.00 1.34 H new ATOM 0 HD22 LEU A 86 13.620 11.768 6.427 1.00 1.34 H new ATOM 0 HD23 LEU A 86 15.141 11.105 5.783 1.00 1.34 H new ATOM 1252 N GLY A 87 12.539 7.592 8.845 1.00 0.39 N ATOM 1253 CA GLY A 87 12.657 6.458 9.733 1.00 0.39 C ATOM 1254 C GLY A 87 11.344 5.716 9.880 1.00 0.33 C ATOM 1255 O GLY A 87 11.300 4.479 9.795 1.00 0.37 O ATOM 0 H GLY A 87 12.790 8.489 9.262 1.00 0.39 H new ATOM 0 HA2 GLY A 87 13.418 5.777 9.353 1.00 0.39 H new ATOM 0 HA3 GLY A 87 12.994 6.797 10.713 1.00 0.39 H new ATOM 1259 N LYS A 88 10.258 6.455 10.086 1.00 0.34 N ATOM 1260 CA LYS A 88 8.967 5.807 10.265 1.00 0.37 C ATOM 1261 C LYS A 88 8.338 5.418 8.925 1.00 0.34 C ATOM 1262 O LYS A 88 7.579 4.457 8.866 1.00 0.41 O ATOM 1263 CB LYS A 88 8.002 6.647 11.111 1.00 0.49 C ATOM 1264 CG LYS A 88 7.682 8.020 10.557 1.00 0.65 C ATOM 1265 CD LYS A 88 6.452 8.599 11.238 1.00 0.98 C ATOM 1266 CE LYS A 88 6.180 10.031 10.812 1.00 1.52 C ATOM 1267 NZ LYS A 88 4.818 10.484 11.215 1.00 1.66 N ATOM 0 H LYS A 88 10.245 7.474 10.132 1.00 0.34 H new ATOM 0 HA LYS A 88 9.157 4.889 10.821 1.00 0.37 H new ATOM 0 HB2 LYS A 88 7.070 6.094 11.226 1.00 0.49 H new ATOM 0 HB3 LYS A 88 8.428 6.766 12.107 1.00 0.49 H new ATOM 0 HG2 LYS A 88 8.533 8.685 10.705 1.00 0.65 H new ATOM 0 HG3 LYS A 88 7.512 7.954 9.482 1.00 0.65 H new ATOM 0 HD2 LYS A 88 5.585 7.981 11.004 1.00 0.98 H new ATOM 0 HD3 LYS A 88 6.587 8.563 12.319 1.00 0.98 H new ATOM 0 HE2 LYS A 88 6.927 10.689 11.255 1.00 1.52 H new ATOM 0 HE3 LYS A 88 6.284 10.114 9.730 1.00 1.52 H new ATOM 0 HZ1 LYS A 88 4.698 11.487 10.966 1.00 1.66 H new ATOM 0 HZ2 LYS A 88 4.102 9.916 10.719 1.00 1.66 H new ATOM 0 HZ3 LYS A 88 4.703 10.366 12.242 1.00 1.66 H new ATOM 1281 N ILE A 89 8.658 6.143 7.850 1.00 0.30 N ATOM 1282 CA ILE A 89 8.245 5.720 6.513 1.00 0.31 C ATOM 1283 C ILE A 89 8.845 4.359 6.199 1.00 0.26 C ATOM 1284 O ILE A 89 8.157 3.460 5.721 1.00 0.28 O ATOM 1285 CB ILE A 89 8.672 6.719 5.411 1.00 0.37 C ATOM 1286 CG1 ILE A 89 7.904 8.033 5.555 1.00 0.71 C ATOM 1287 CG2 ILE A 89 8.443 6.125 4.021 1.00 0.56 C ATOM 1288 CD1 ILE A 89 8.265 9.067 4.511 1.00 1.15 C ATOM 0 H ILE A 89 9.193 7.011 7.879 1.00 0.30 H new ATOM 0 HA ILE A 89 7.156 5.675 6.518 1.00 0.31 H new ATOM 0 HB ILE A 89 9.737 6.919 5.529 1.00 0.37 H new ATOM 0 HG12 ILE A 89 6.835 7.827 5.495 1.00 0.71 H new ATOM 0 HG13 ILE A 89 8.094 8.448 6.545 1.00 0.71 H new ATOM 0 HG21 ILE A 89 8.750 6.845 3.263 1.00 0.56 H new ATOM 0 HG22 ILE A 89 9.030 5.213 3.914 1.00 0.56 H new ATOM 0 HG23 ILE A 89 7.385 5.893 3.894 1.00 0.56 H new ATOM 0 HD11 ILE A 89 7.680 9.972 4.677 1.00 1.15 H new ATOM 0 HD12 ILE A 89 9.327 9.303 4.584 1.00 1.15 H new ATOM 0 HD13 ILE A 89 8.049 8.673 3.518 1.00 1.15 H new ATOM 1300 N TRP A 90 10.136 4.218 6.485 1.00 0.24 N ATOM 1301 CA TRP A 90 10.837 2.968 6.259 1.00 0.22 C ATOM 1302 C TRP A 90 10.168 1.824 7.002 1.00 0.23 C ATOM 1303 O TRP A 90 9.773 0.831 6.399 1.00 0.25 O ATOM 1304 CB TRP A 90 12.294 3.059 6.707 1.00 0.22 C ATOM 1305 CG TRP A 90 13.019 1.758 6.539 1.00 0.23 C ATOM 1306 CD1 TRP A 90 13.235 0.800 7.489 1.00 0.30 C ATOM 1307 CD2 TRP A 90 13.589 1.259 5.328 1.00 0.21 C ATOM 1308 NE1 TRP A 90 13.921 -0.259 6.939 1.00 0.30 N ATOM 1309 CE2 TRP A 90 14.145 -0.004 5.612 1.00 0.25 C ATOM 1310 CE3 TRP A 90 13.675 1.754 4.029 1.00 0.22 C ATOM 1311 CZ2 TRP A 90 14.797 -0.766 4.643 1.00 0.28 C ATOM 1312 CZ3 TRP A 90 14.318 0.998 3.074 1.00 0.28 C ATOM 1313 CH2 TRP A 90 14.864 -0.254 3.381 1.00 0.30 C ATOM 0 H TRP A 90 10.716 4.961 6.875 1.00 0.24 H new ATOM 0 HA TRP A 90 10.802 2.776 5.187 1.00 0.22 H new ATOM 0 HB2 TRP A 90 12.802 3.833 6.132 1.00 0.22 H new ATOM 0 HB3 TRP A 90 12.333 3.362 7.753 1.00 0.22 H new ATOM 0 HD1 TRP A 90 12.915 0.864 8.519 1.00 0.30 H new ATOM 0 HE1 TRP A 90 14.215 -1.098 7.439 1.00 0.30 H new ATOM 0 HE3 TRP A 90 13.246 2.712 3.775 1.00 0.22 H new ATOM 0 HZ2 TRP A 90 15.232 -1.725 4.883 1.00 0.28 H new ATOM 0 HZ3 TRP A 90 14.403 1.379 2.067 1.00 0.28 H new ATOM 0 HH2 TRP A 90 15.348 -0.826 2.603 1.00 0.30 H new ATOM 1324 N LYS A 91 10.039 1.974 8.316 1.00 0.26 N ATOM 1325 CA LYS A 91 9.524 0.895 9.146 1.00 0.30 C ATOM 1326 C LYS A 91 8.031 0.661 8.906 1.00 0.31 C ATOM 1327 O LYS A 91 7.459 -0.313 9.398 1.00 0.42 O ATOM 1328 CB LYS A 91 9.804 1.173 10.621 1.00 0.40 C ATOM 1329 CG LYS A 91 9.038 2.342 11.203 1.00 1.08 C ATOM 1330 CD LYS A 91 9.213 2.389 12.701 1.00 1.26 C ATOM 1331 CE LYS A 91 10.642 2.721 13.086 1.00 2.03 C ATOM 1332 NZ LYS A 91 11.079 4.030 12.540 1.00 2.54 N ATOM 0 H LYS A 91 10.282 2.825 8.824 1.00 0.26 H new ATOM 0 HA LYS A 91 10.045 -0.020 8.862 1.00 0.30 H new ATOM 0 HB2 LYS A 91 9.566 0.278 11.196 1.00 0.40 H new ATOM 0 HB3 LYS A 91 10.871 1.358 10.745 1.00 0.40 H new ATOM 0 HG2 LYS A 91 9.390 3.273 10.759 1.00 1.08 H new ATOM 0 HG3 LYS A 91 7.980 2.251 10.956 1.00 1.08 H new ATOM 0 HD2 LYS A 91 8.539 3.134 13.123 1.00 1.26 H new ATOM 0 HD3 LYS A 91 8.934 1.427 13.131 1.00 1.26 H new ATOM 0 HE2 LYS A 91 10.730 2.734 14.172 1.00 2.03 H new ATOM 0 HE3 LYS A 91 11.306 1.937 12.722 1.00 2.03 H new ATOM 0 HZ1 LYS A 91 11.938 4.343 13.035 1.00 2.54 H new ATOM 0 HZ2 LYS A 91 11.281 3.933 11.524 1.00 2.54 H new ATOM 0 HZ3 LYS A 91 10.325 4.733 12.677 1.00 2.54 H new ATOM 1346 N LEU A 92 7.404 1.563 8.163 1.00 0.27 N ATOM 1347 CA LEU A 92 6.013 1.399 7.779 1.00 0.33 C ATOM 1348 C LEU A 92 5.915 0.718 6.410 1.00 0.34 C ATOM 1349 O LEU A 92 4.986 -0.047 6.156 1.00 0.47 O ATOM 1350 CB LEU A 92 5.307 2.759 7.752 1.00 0.37 C ATOM 1351 CG LEU A 92 3.781 2.702 7.833 1.00 0.49 C ATOM 1352 CD1 LEU A 92 3.335 2.215 9.205 1.00 0.86 C ATOM 1353 CD2 LEU A 92 3.185 4.068 7.543 1.00 0.61 C ATOM 0 H LEU A 92 7.840 2.417 7.815 1.00 0.27 H new ATOM 0 HA LEU A 92 5.519 0.766 8.516 1.00 0.33 H new ATOM 0 HB2 LEU A 92 5.677 3.359 8.583 1.00 0.37 H new ATOM 0 HB3 LEU A 92 5.587 3.278 6.835 1.00 0.37 H new ATOM 0 HG LEU A 92 3.424 1.997 7.082 1.00 0.49 H new ATOM 0 HD11 LEU A 92 2.246 2.181 9.243 1.00 0.86 H new ATOM 0 HD12 LEU A 92 3.735 1.217 9.385 1.00 0.86 H new ATOM 0 HD13 LEU A 92 3.704 2.897 9.971 1.00 0.86 H new ATOM 0 HD21 LEU A 92 2.098 4.011 7.604 1.00 0.61 H new ATOM 0 HD22 LEU A 92 3.553 4.788 8.274 1.00 0.61 H new ATOM 0 HD23 LEU A 92 3.476 4.387 6.542 1.00 0.61 H new ATOM 1365 N ALA A 93 6.886 0.989 5.534 1.00 0.30 N ATOM 1366 CA ALA A 93 6.880 0.422 4.188 1.00 0.37 C ATOM 1367 C ALA A 93 7.554 -0.950 4.138 1.00 0.37 C ATOM 1368 O ALA A 93 7.054 -1.872 3.490 1.00 0.45 O ATOM 1369 CB ALA A 93 7.561 1.374 3.216 1.00 0.43 C ATOM 0 H ALA A 93 7.682 1.595 5.734 1.00 0.30 H new ATOM 0 HA ALA A 93 5.839 0.286 3.896 1.00 0.37 H new ATOM 0 HB1 ALA A 93 7.551 0.941 2.216 1.00 0.43 H new ATOM 0 HB2 ALA A 93 7.029 2.325 3.205 1.00 0.43 H new ATOM 0 HB3 ALA A 93 8.592 1.538 3.530 1.00 0.43 H new ATOM 1375 N ASP A 94 8.687 -1.090 4.819 1.00 0.32 N ATOM 1376 CA ASP A 94 9.404 -2.359 4.836 1.00 0.38 C ATOM 1377 C ASP A 94 8.828 -3.255 5.915 1.00 0.45 C ATOM 1378 O ASP A 94 9.161 -3.124 7.091 1.00 0.49 O ATOM 1379 CB ASP A 94 10.905 -2.149 5.062 1.00 0.35 C ATOM 1380 CG ASP A 94 11.696 -3.441 4.998 1.00 0.47 C ATOM 1381 OD1 ASP A 94 11.143 -4.471 4.543 1.00 0.61 O ATOM 1382 OD2 ASP A 94 12.876 -3.447 5.400 1.00 0.62 O ATOM 0 H ASP A 94 9.125 -0.346 5.362 1.00 0.32 H new ATOM 0 HA ASP A 94 9.280 -2.837 3.864 1.00 0.38 H new ATOM 0 HB2 ASP A 94 11.287 -1.457 4.312 1.00 0.35 H new ATOM 0 HB3 ASP A 94 11.059 -1.682 6.035 1.00 0.35 H new ATOM 1387 N VAL A 95 7.960 -4.166 5.498 1.00 0.64 N ATOM 1388 CA VAL A 95 7.229 -5.015 6.428 1.00 0.79 C ATOM 1389 C VAL A 95 8.139 -6.053 7.056 1.00 0.74 C ATOM 1390 O VAL A 95 7.932 -6.468 8.199 1.00 0.88 O ATOM 1391 CB VAL A 95 6.038 -5.717 5.734 1.00 1.07 C ATOM 1392 CG1 VAL A 95 5.214 -6.511 6.738 1.00 1.76 C ATOM 1393 CG2 VAL A 95 5.165 -4.701 5.011 1.00 1.57 C ATOM 0 H VAL A 95 7.744 -4.337 4.516 1.00 0.64 H new ATOM 0 HA VAL A 95 6.841 -4.367 7.214 1.00 0.79 H new ATOM 0 HB VAL A 95 6.439 -6.414 4.998 1.00 1.07 H new ATOM 0 HG11 VAL A 95 4.383 -6.995 6.225 1.00 1.76 H new ATOM 0 HG12 VAL A 95 5.842 -7.269 7.206 1.00 1.76 H new ATOM 0 HG13 VAL A 95 4.826 -5.839 7.503 1.00 1.76 H new ATOM 0 HG21 VAL A 95 4.333 -5.214 4.529 1.00 1.57 H new ATOM 0 HG22 VAL A 95 4.779 -3.977 5.729 1.00 1.57 H new ATOM 0 HG23 VAL A 95 5.758 -4.183 4.257 1.00 1.57 H new ATOM 1403 N ASP A 96 9.159 -6.458 6.323 1.00 0.68 N ATOM 1404 CA ASP A 96 10.097 -7.440 6.837 1.00 0.73 C ATOM 1405 C ASP A 96 11.088 -6.752 7.743 1.00 0.60 C ATOM 1406 O ASP A 96 11.648 -7.366 8.655 1.00 0.68 O ATOM 1407 CB ASP A 96 10.922 -8.066 5.730 1.00 0.94 C ATOM 1408 CG ASP A 96 10.298 -7.979 4.364 1.00 1.04 C ATOM 1409 OD1 ASP A 96 10.476 -6.927 3.711 1.00 1.40 O ATOM 1410 OD2 ASP A 96 9.670 -8.957 3.916 1.00 1.70 O ATOM 0 H ASP A 96 9.359 -6.127 5.379 1.00 0.68 H new ATOM 0 HA ASP A 96 9.509 -8.202 7.349 1.00 0.73 H new ATOM 0 HB2 ASP A 96 11.898 -7.581 5.702 1.00 0.94 H new ATOM 0 HB3 ASP A 96 11.095 -9.115 5.971 1.00 0.94 H new ATOM 1415 N LYS A 97 11.304 -5.462 7.468 1.00 0.48 N ATOM 1416 CA LYS A 97 12.318 -4.679 8.163 1.00 0.46 C ATOM 1417 C LYS A 97 13.669 -5.341 7.946 1.00 0.46 C ATOM 1418 O LYS A 97 14.484 -5.492 8.860 1.00 0.70 O ATOM 1419 CB LYS A 97 11.950 -4.560 9.639 1.00 0.59 C ATOM 1420 CG LYS A 97 10.578 -3.949 9.808 1.00 0.67 C ATOM 1421 CD LYS A 97 10.106 -3.991 11.249 1.00 0.82 C ATOM 1422 CE LYS A 97 8.676 -3.490 11.368 1.00 1.34 C ATOM 1423 NZ LYS A 97 8.149 -3.614 12.754 1.00 1.74 N ATOM 0 H LYS A 97 10.784 -4.939 6.763 1.00 0.48 H new ATOM 0 HA LYS A 97 12.373 -3.664 7.769 1.00 0.46 H new ATOM 0 HB2 LYS A 97 11.973 -5.546 10.104 1.00 0.59 H new ATOM 0 HB3 LYS A 97 12.690 -3.948 10.154 1.00 0.59 H new ATOM 0 HG2 LYS A 97 10.598 -2.915 9.464 1.00 0.67 H new ATOM 0 HG3 LYS A 97 9.865 -4.481 9.178 1.00 0.67 H new ATOM 0 HD2 LYS A 97 10.170 -5.011 11.627 1.00 0.82 H new ATOM 0 HD3 LYS A 97 10.762 -3.380 11.868 1.00 0.82 H new ATOM 0 HE2 LYS A 97 8.632 -2.446 11.057 1.00 1.34 H new ATOM 0 HE3 LYS A 97 8.038 -4.053 10.687 1.00 1.34 H new ATOM 0 HZ1 LYS A 97 7.172 -3.260 12.787 1.00 1.74 H new ATOM 0 HZ2 LYS A 97 8.166 -4.613 13.044 1.00 1.74 H new ATOM 0 HZ3 LYS A 97 8.741 -3.056 13.402 1.00 1.74 H new ATOM 1437 N ASP A 98 13.890 -5.701 6.686 1.00 0.35 N ATOM 1438 CA ASP A 98 15.007 -6.536 6.287 1.00 0.43 C ATOM 1439 C ASP A 98 16.100 -5.728 5.599 1.00 0.39 C ATOM 1440 O ASP A 98 17.074 -6.290 5.100 1.00 0.63 O ATOM 1441 CB ASP A 98 14.519 -7.692 5.391 1.00 0.69 C ATOM 1442 CG ASP A 98 13.782 -7.271 4.114 1.00 0.72 C ATOM 1443 OD1 ASP A 98 13.193 -6.178 4.119 1.00 1.51 O ATOM 1444 OD2 ASP A 98 13.837 -7.987 3.079 1.00 1.35 O ATOM 0 H ASP A 98 13.292 -5.417 5.910 1.00 0.35 H new ATOM 0 HA ASP A 98 15.447 -6.960 7.190 1.00 0.43 H new ATOM 0 HB2 ASP A 98 15.380 -8.299 5.110 1.00 0.69 H new ATOM 0 HB3 ASP A 98 13.858 -8.329 5.978 1.00 0.69 H new ATOM 1449 N GLY A 99 15.943 -4.410 5.592 1.00 0.29 N ATOM 1450 CA GLY A 99 16.997 -3.546 5.093 1.00 0.29 C ATOM 1451 C GLY A 99 17.007 -3.457 3.586 1.00 0.24 C ATOM 1452 O GLY A 99 18.014 -3.080 2.985 1.00 0.27 O ATOM 0 H GLY A 99 15.108 -3.925 5.921 1.00 0.29 H new ATOM 0 HA2 GLY A 99 16.872 -2.547 5.512 1.00 0.29 H new ATOM 0 HA3 GLY A 99 17.962 -3.918 5.438 1.00 0.29 H new ATOM 1456 N LEU A 100 15.896 -3.823 2.977 1.00 0.23 N ATOM 1457 CA LEU A 100 15.735 -3.700 1.545 1.00 0.21 C ATOM 1458 C LEU A 100 14.268 -3.550 1.208 1.00 0.24 C ATOM 1459 O LEU A 100 13.413 -3.677 2.085 1.00 0.38 O ATOM 1460 CB LEU A 100 16.355 -4.896 0.812 1.00 0.27 C ATOM 1461 CG LEU A 100 15.862 -6.282 1.236 1.00 0.39 C ATOM 1462 CD1 LEU A 100 14.558 -6.639 0.539 1.00 0.41 C ATOM 1463 CD2 LEU A 100 16.935 -7.311 0.949 1.00 0.54 C ATOM 0 H LEU A 100 15.085 -4.211 3.459 1.00 0.23 H new ATOM 0 HA LEU A 100 16.264 -2.808 1.208 1.00 0.21 H new ATOM 0 HB2 LEU A 100 16.167 -4.778 -0.255 1.00 0.27 H new ATOM 0 HB3 LEU A 100 17.435 -4.860 0.951 1.00 0.27 H new ATOM 0 HG LEU A 100 15.661 -6.272 2.307 1.00 0.39 H new ATOM 0 HD11 LEU A 100 14.233 -7.629 0.860 1.00 0.41 H new ATOM 0 HD12 LEU A 100 13.795 -5.905 0.797 1.00 0.41 H new ATOM 0 HD13 LEU A 100 14.711 -6.640 -0.540 1.00 0.41 H new ATOM 0 HD21 LEU A 100 16.583 -8.297 1.251 1.00 0.54 H new ATOM 0 HD22 LEU A 100 17.158 -7.316 -0.118 1.00 0.54 H new ATOM 0 HD23 LEU A 100 17.837 -7.061 1.507 1.00 0.54 H new ATOM 1475 N LEU A 101 13.981 -3.329 -0.063 1.00 0.20 N ATOM 1476 CA LEU A 101 12.641 -3.034 -0.513 1.00 0.20 C ATOM 1477 C LEU A 101 12.496 -3.564 -1.932 1.00 0.17 C ATOM 1478 O LEU A 101 13.184 -3.102 -2.842 1.00 0.18 O ATOM 1479 CB LEU A 101 12.369 -1.524 -0.492 1.00 0.24 C ATOM 1480 CG LEU A 101 12.173 -0.880 0.889 1.00 0.26 C ATOM 1481 CD1 LEU A 101 11.905 0.602 0.734 1.00 0.68 C ATOM 1482 CD2 LEU A 101 11.020 -1.522 1.628 1.00 0.58 C ATOM 0 H LEU A 101 14.675 -3.350 -0.810 1.00 0.20 H new ATOM 0 HA LEU A 101 11.921 -3.508 0.154 1.00 0.20 H new ATOM 0 HB2 LEU A 101 13.199 -1.021 -0.988 1.00 0.24 H new ATOM 0 HB3 LEU A 101 11.477 -1.330 -1.088 1.00 0.24 H new ATOM 0 HG LEU A 101 13.086 -1.032 1.465 1.00 0.26 H new ATOM 0 HD11 LEU A 101 11.767 1.052 1.717 1.00 0.68 H new ATOM 0 HD12 LEU A 101 12.751 1.074 0.234 1.00 0.68 H new ATOM 0 HD13 LEU A 101 11.004 0.748 0.138 1.00 0.68 H new ATOM 0 HD21 LEU A 101 10.903 -1.048 2.602 1.00 0.58 H new ATOM 0 HD22 LEU A 101 10.104 -1.397 1.051 1.00 0.58 H new ATOM 0 HD23 LEU A 101 11.221 -2.585 1.764 1.00 0.58 H new ATOM 1494 N ASP A 102 11.663 -4.562 -2.118 1.00 0.16 N ATOM 1495 CA ASP A 102 11.461 -5.141 -3.440 1.00 0.17 C ATOM 1496 C ASP A 102 10.588 -4.223 -4.306 1.00 0.16 C ATOM 1497 O ASP A 102 10.310 -3.099 -3.911 1.00 0.16 O ATOM 1498 CB ASP A 102 10.860 -6.529 -3.316 1.00 0.25 C ATOM 1499 CG ASP A 102 9.353 -6.509 -3.113 1.00 0.77 C ATOM 1500 OD1 ASP A 102 8.903 -6.371 -1.955 1.00 1.50 O ATOM 1501 OD2 ASP A 102 8.618 -6.645 -4.104 1.00 1.40 O ATOM 0 H ASP A 102 11.112 -4.994 -1.376 1.00 0.16 H new ATOM 0 HA ASP A 102 12.427 -5.236 -3.936 1.00 0.17 H new ATOM 0 HB2 ASP A 102 11.092 -7.101 -4.214 1.00 0.25 H new ATOM 0 HB3 ASP A 102 11.327 -7.047 -2.479 1.00 0.25 H new ATOM 1506 N ASP A 103 10.185 -4.680 -5.491 1.00 0.18 N ATOM 1507 CA ASP A 103 9.424 -3.842 -6.429 1.00 0.19 C ATOM 1508 C ASP A 103 8.161 -3.286 -5.769 1.00 0.16 C ATOM 1509 O ASP A 103 7.782 -2.130 -5.997 1.00 0.17 O ATOM 1510 CB ASP A 103 8.998 -4.680 -7.645 1.00 0.28 C ATOM 1511 CG ASP A 103 10.142 -5.449 -8.278 1.00 0.97 C ATOM 1512 OD1 ASP A 103 10.677 -6.374 -7.629 1.00 1.73 O ATOM 1513 OD2 ASP A 103 10.495 -5.158 -9.435 1.00 1.65 O ATOM 0 H ASP A 103 10.371 -5.625 -5.828 1.00 0.18 H new ATOM 0 HA ASP A 103 10.067 -3.016 -6.735 1.00 0.19 H new ATOM 0 HB2 ASP A 103 8.223 -5.383 -7.339 1.00 0.28 H new ATOM 0 HB3 ASP A 103 8.555 -4.022 -8.393 1.00 0.28 H new ATOM 1518 N GLU A 104 7.534 -4.086 -4.913 1.00 0.18 N ATOM 1519 CA GLU A 104 6.312 -3.659 -4.242 1.00 0.23 C ATOM 1520 C GLU A 104 6.600 -2.972 -2.916 1.00 0.19 C ATOM 1521 O GLU A 104 5.809 -2.150 -2.448 1.00 0.22 O ATOM 1522 CB GLU A 104 5.348 -4.815 -4.026 1.00 0.33 C ATOM 1523 CG GLU A 104 4.219 -4.836 -5.038 1.00 0.65 C ATOM 1524 CD GLU A 104 4.486 -5.763 -6.203 1.00 1.28 C ATOM 1525 OE1 GLU A 104 5.580 -5.684 -6.791 1.00 2.14 O ATOM 1526 OE2 GLU A 104 3.597 -6.562 -6.549 1.00 1.68 O ATOM 0 H GLU A 104 7.848 -5.025 -4.669 1.00 0.18 H new ATOM 0 HA GLU A 104 5.839 -2.936 -4.907 1.00 0.23 H new ATOM 0 HB2 GLU A 104 5.897 -5.755 -4.082 1.00 0.33 H new ATOM 0 HB3 GLU A 104 4.929 -4.750 -3.022 1.00 0.33 H new ATOM 0 HG2 GLU A 104 3.299 -5.142 -4.541 1.00 0.65 H new ATOM 0 HG3 GLU A 104 4.057 -3.826 -5.414 1.00 0.65 H new ATOM 1533 N GLU A 105 7.715 -3.312 -2.301 1.00 0.18 N ATOM 1534 CA GLU A 105 8.131 -2.643 -1.084 1.00 0.17 C ATOM 1535 C GLU A 105 8.579 -1.218 -1.401 1.00 0.17 C ATOM 1536 O GLU A 105 8.367 -0.296 -0.613 1.00 0.22 O ATOM 1537 CB GLU A 105 9.242 -3.437 -0.416 1.00 0.19 C ATOM 1538 CG GLU A 105 8.812 -4.132 0.869 1.00 0.26 C ATOM 1539 CD GLU A 105 9.770 -5.229 1.298 1.00 0.40 C ATOM 1540 OE1 GLU A 105 10.813 -4.906 1.881 1.00 0.81 O ATOM 1541 OE2 GLU A 105 9.498 -6.426 1.031 1.00 1.11 O ATOM 0 H GLU A 105 8.348 -4.045 -2.622 1.00 0.18 H new ATOM 0 HA GLU A 105 7.291 -2.585 -0.392 1.00 0.17 H new ATOM 0 HB2 GLU A 105 9.613 -4.185 -1.116 1.00 0.19 H new ATOM 0 HB3 GLU A 105 10.073 -2.767 -0.195 1.00 0.19 H new ATOM 0 HG2 GLU A 105 8.733 -3.393 1.667 1.00 0.26 H new ATOM 0 HG3 GLU A 105 7.818 -4.558 0.730 1.00 0.26 H new ATOM 1548 N PHE A 106 9.189 -1.044 -2.572 1.00 0.16 N ATOM 1549 CA PHE A 106 9.475 0.284 -3.096 1.00 0.16 C ATOM 1550 C PHE A 106 8.151 0.949 -3.409 1.00 0.16 C ATOM 1551 O PHE A 106 7.944 2.120 -3.093 1.00 0.18 O ATOM 1552 CB PHE A 106 10.338 0.220 -4.372 1.00 0.19 C ATOM 1553 CG PHE A 106 10.896 1.554 -4.846 1.00 0.21 C ATOM 1554 CD1 PHE A 106 10.223 2.725 -4.557 1.00 1.04 C ATOM 1555 CD2 PHE A 106 12.076 1.644 -5.573 1.00 1.04 C ATOM 1556 CE1 PHE A 106 10.704 3.948 -4.980 1.00 1.07 C ATOM 1557 CE2 PHE A 106 12.561 2.864 -5.995 1.00 1.04 C ATOM 1558 CZ PHE A 106 11.961 3.971 -5.723 1.00 0.28 C ATOM 0 H PHE A 106 9.494 -1.809 -3.174 1.00 0.16 H new ATOM 0 HA PHE A 106 10.037 0.850 -2.354 1.00 0.16 H new ATOM 0 HB2 PHE A 106 11.170 -0.461 -4.194 1.00 0.19 H new ATOM 0 HB3 PHE A 106 9.739 -0.211 -5.175 1.00 0.19 H new ATOM 0 HD1 PHE A 106 9.305 2.683 -3.990 1.00 1.04 H new ATOM 0 HD2 PHE A 106 12.623 0.744 -5.812 1.00 1.04 H new ATOM 0 HE1 PHE A 106 10.167 4.860 -4.768 1.00 1.07 H new ATOM 0 HE2 PHE A 106 13.473 2.892 -6.572 1.00 1.04 H new ATOM 0 HZ PHE A 106 12.385 4.911 -6.043 1.00 0.28 H new ATOM 1568 N ALA A 107 7.244 0.182 -4.004 1.00 0.16 N ATOM 1569 CA ALA A 107 5.930 0.691 -4.338 1.00 0.16 C ATOM 1570 C ALA A 107 5.268 1.312 -3.111 1.00 0.16 C ATOM 1571 O ALA A 107 4.658 2.374 -3.192 1.00 0.18 O ATOM 1572 CB ALA A 107 5.077 -0.424 -4.912 1.00 0.19 C ATOM 0 H ALA A 107 7.400 -0.792 -4.262 1.00 0.16 H new ATOM 0 HA ALA A 107 6.032 1.472 -5.092 1.00 0.16 H new ATOM 0 HB1 ALA A 107 4.090 -0.035 -5.161 1.00 0.19 H new ATOM 0 HB2 ALA A 107 5.550 -0.818 -5.812 1.00 0.19 H new ATOM 0 HB3 ALA A 107 4.977 -1.222 -4.176 1.00 0.19 H new ATOM 1578 N LEU A 108 5.426 0.657 -1.973 1.00 0.18 N ATOM 1579 CA LEU A 108 4.882 1.163 -0.725 1.00 0.22 C ATOM 1580 C LEU A 108 5.694 2.350 -0.220 1.00 0.19 C ATOM 1581 O LEU A 108 5.131 3.390 0.109 1.00 0.20 O ATOM 1582 CB LEU A 108 4.868 0.070 0.329 1.00 0.34 C ATOM 1583 CG LEU A 108 3.694 0.117 1.305 1.00 0.52 C ATOM 1584 CD1 LEU A 108 3.825 -1.003 2.297 1.00 1.22 C ATOM 1585 CD2 LEU A 108 3.613 1.445 2.043 1.00 1.23 C ATOM 0 H LEU A 108 5.927 -0.227 -1.888 1.00 0.18 H new ATOM 0 HA LEU A 108 3.860 1.492 -0.914 1.00 0.22 H new ATOM 0 HB2 LEU A 108 4.862 -0.897 -0.174 1.00 0.34 H new ATOM 0 HB3 LEU A 108 5.795 0.126 0.899 1.00 0.34 H new ATOM 0 HG LEU A 108 2.777 0.007 0.726 1.00 0.52 H new ATOM 0 HD11 LEU A 108 2.988 -0.971 2.994 1.00 1.22 H new ATOM 0 HD12 LEU A 108 3.822 -1.957 1.771 1.00 1.22 H new ATOM 0 HD13 LEU A 108 4.760 -0.894 2.847 1.00 1.22 H new ATOM 0 HD21 LEU A 108 2.763 1.431 2.725 1.00 1.23 H new ATOM 0 HD22 LEU A 108 4.531 1.603 2.610 1.00 1.23 H new ATOM 0 HD23 LEU A 108 3.487 2.254 1.323 1.00 1.23 H new ATOM 1597 N ALA A 109 7.010 2.184 -0.147 1.00 0.19 N ATOM 1598 CA ALA A 109 7.896 3.234 0.350 1.00 0.19 C ATOM 1599 C ALA A 109 7.629 4.562 -0.356 1.00 0.19 C ATOM 1600 O ALA A 109 7.385 5.591 0.284 1.00 0.20 O ATOM 1601 CB ALA A 109 9.345 2.828 0.150 1.00 0.22 C ATOM 0 H ALA A 109 7.490 1.329 -0.427 1.00 0.19 H new ATOM 0 HA ALA A 109 7.699 3.367 1.414 1.00 0.19 H new ATOM 0 HB1 ALA A 109 9.999 3.616 0.523 1.00 0.22 H new ATOM 0 HB2 ALA A 109 9.543 1.905 0.695 1.00 0.22 H new ATOM 0 HB3 ALA A 109 9.536 2.671 -0.912 1.00 0.22 H new ATOM 1607 N ASN A 110 7.636 4.519 -1.681 1.00 0.19 N ATOM 1608 CA ASN A 110 7.430 5.704 -2.484 1.00 0.19 C ATOM 1609 C ASN A 110 5.978 6.141 -2.381 1.00 0.20 C ATOM 1610 O ASN A 110 5.668 7.327 -2.500 1.00 0.23 O ATOM 1611 CB ASN A 110 7.801 5.445 -3.946 1.00 0.21 C ATOM 1612 CG ASN A 110 8.090 6.732 -4.703 1.00 0.29 C ATOM 1613 OD1 ASN A 110 7.192 7.365 -5.260 1.00 1.18 O ATOM 1614 ND2 ASN A 110 9.357 7.113 -4.745 1.00 1.11 N ATOM 0 H ASN A 110 7.784 3.666 -2.221 1.00 0.19 H new ATOM 0 HA ASN A 110 8.076 6.498 -2.108 1.00 0.19 H new ATOM 0 HB2 ASN A 110 8.676 4.797 -3.987 1.00 0.21 H new ATOM 0 HB3 ASN A 110 6.986 4.912 -4.437 1.00 0.21 H new ATOM 0 HD21 ASN A 110 9.619 7.959 -5.252 1.00 1.11 H new ATOM 0 HD22 ASN A 110 10.072 6.561 -4.270 1.00 1.11 H new ATOM 1621 N HIS A 111 5.081 5.186 -2.118 1.00 0.23 N ATOM 1622 CA HIS A 111 3.676 5.521 -1.988 1.00 0.25 C ATOM 1623 C HIS A 111 3.463 6.337 -0.731 1.00 0.24 C ATOM 1624 O HIS A 111 2.706 7.290 -0.737 1.00 0.26 O ATOM 1625 CB HIS A 111 2.778 4.280 -1.941 1.00 0.30 C ATOM 1626 CG HIS A 111 1.321 4.613 -2.094 1.00 0.32 C ATOM 1627 ND1 HIS A 111 0.745 4.938 -3.300 1.00 0.41 N ATOM 1628 CD2 HIS A 111 0.331 4.711 -1.172 1.00 0.39 C ATOM 1629 CE1 HIS A 111 -0.529 5.228 -3.116 1.00 0.49 C ATOM 1630 NE2 HIS A 111 -0.813 5.101 -1.832 1.00 0.47 N ATOM 0 H HIS A 111 5.304 4.198 -1.995 1.00 0.23 H new ATOM 0 HA HIS A 111 3.399 6.096 -2.872 1.00 0.25 H new ATOM 0 HB2 HIS A 111 3.074 3.592 -2.733 1.00 0.30 H new ATOM 0 HB3 HIS A 111 2.931 3.762 -0.994 1.00 0.30 H new ATOM 0 HD1 HIS A 111 1.228 4.953 -4.198 1.00 0.41 H new ATOM 0 HD2 HIS A 111 0.423 4.518 -0.113 1.00 0.39 H new ATOM 0 HE1 HIS A 111 -1.225 5.521 -3.888 1.00 0.49 H new ATOM 1639 N LEU A 112 4.141 5.953 0.340 1.00 0.25 N ATOM 1640 CA LEU A 112 4.030 6.652 1.609 1.00 0.28 C ATOM 1641 C LEU A 112 4.653 8.039 1.517 1.00 0.25 C ATOM 1642 O LEU A 112 4.165 8.992 2.129 1.00 0.27 O ATOM 1643 CB LEU A 112 4.691 5.839 2.719 1.00 0.35 C ATOM 1644 CG LEU A 112 3.886 4.633 3.215 1.00 0.44 C ATOM 1645 CD1 LEU A 112 4.686 3.883 4.269 1.00 0.55 C ATOM 1646 CD2 LEU A 112 2.547 5.086 3.788 1.00 0.54 C ATOM 0 H LEU A 112 4.777 5.156 0.354 1.00 0.25 H new ATOM 0 HA LEU A 112 2.973 6.771 1.847 1.00 0.28 H new ATOM 0 HB2 LEU A 112 5.659 5.487 2.362 1.00 0.35 H new ATOM 0 HB3 LEU A 112 4.884 6.499 3.565 1.00 0.35 H new ATOM 0 HG LEU A 112 3.690 3.967 2.375 1.00 0.44 H new ATOM 0 HD11 LEU A 112 4.111 3.026 4.620 1.00 0.55 H new ATOM 0 HD12 LEU A 112 5.625 3.538 3.836 1.00 0.55 H new ATOM 0 HD13 LEU A 112 4.896 4.547 5.107 1.00 0.55 H new ATOM 0 HD21 LEU A 112 1.988 4.218 4.136 1.00 0.54 H new ATOM 0 HD22 LEU A 112 2.720 5.765 4.623 1.00 0.54 H new ATOM 0 HD23 LEU A 112 1.976 5.600 3.015 1.00 0.54 H new ATOM 1658 N ILE A 113 5.731 8.151 0.749 1.00 0.26 N ATOM 1659 CA ILE A 113 6.341 9.449 0.487 1.00 0.26 C ATOM 1660 C ILE A 113 5.331 10.381 -0.183 1.00 0.26 C ATOM 1661 O ILE A 113 5.084 11.495 0.292 1.00 0.32 O ATOM 1662 CB ILE A 113 7.600 9.311 -0.400 1.00 0.27 C ATOM 1663 CG1 ILE A 113 8.693 8.566 0.360 1.00 0.28 C ATOM 1664 CG2 ILE A 113 8.106 10.678 -0.836 1.00 0.33 C ATOM 1665 CD1 ILE A 113 9.850 8.123 -0.514 1.00 0.81 C ATOM 0 H ILE A 113 6.198 7.364 0.299 1.00 0.26 H new ATOM 0 HA ILE A 113 6.645 9.874 1.443 1.00 0.26 H new ATOM 0 HB ILE A 113 7.333 8.744 -1.292 1.00 0.27 H new ATOM 0 HG12 ILE A 113 9.074 9.209 1.153 1.00 0.28 H new ATOM 0 HG13 ILE A 113 8.257 7.691 0.841 1.00 0.28 H new ATOM 0 HG21 ILE A 113 8.992 10.556 -1.459 1.00 0.33 H new ATOM 0 HG22 ILE A 113 7.330 11.189 -1.405 1.00 0.33 H new ATOM 0 HG23 ILE A 113 8.359 11.270 0.044 1.00 0.33 H new ATOM 0 HD11 ILE A 113 10.587 7.601 0.096 1.00 0.81 H new ATOM 0 HD12 ILE A 113 9.483 7.454 -1.292 1.00 0.81 H new ATOM 0 HD13 ILE A 113 10.313 8.996 -0.975 1.00 0.81 H new ATOM 1677 N LYS A 114 4.720 9.915 -1.269 1.00 0.25 N ATOM 1678 CA LYS A 114 3.728 10.732 -1.958 1.00 0.31 C ATOM 1679 C LYS A 114 2.438 10.822 -1.145 1.00 0.32 C ATOM 1680 O LYS A 114 1.661 11.755 -1.317 1.00 0.41 O ATOM 1681 CB LYS A 114 3.467 10.229 -3.385 1.00 0.45 C ATOM 1682 CG LYS A 114 2.901 8.827 -3.478 1.00 0.86 C ATOM 1683 CD LYS A 114 2.816 8.372 -4.925 1.00 1.30 C ATOM 1684 CE LYS A 114 1.856 9.236 -5.730 1.00 1.59 C ATOM 1685 NZ LYS A 114 1.950 8.965 -7.186 1.00 2.22 N ATOM 0 H LYS A 114 4.889 8.998 -1.683 1.00 0.25 H new ATOM 0 HA LYS A 114 4.134 11.739 -2.050 1.00 0.31 H new ATOM 0 HB2 LYS A 114 2.777 10.916 -3.875 1.00 0.45 H new ATOM 0 HB3 LYS A 114 4.403 10.264 -3.943 1.00 0.45 H new ATOM 0 HG2 LYS A 114 3.529 8.139 -2.912 1.00 0.86 H new ATOM 0 HG3 LYS A 114 1.910 8.800 -3.025 1.00 0.86 H new ATOM 0 HD2 LYS A 114 3.807 8.410 -5.377 1.00 1.30 H new ATOM 0 HD3 LYS A 114 2.489 7.333 -4.961 1.00 1.30 H new ATOM 0 HE2 LYS A 114 0.835 9.054 -5.393 1.00 1.59 H new ATOM 0 HE3 LYS A 114 2.071 10.288 -5.543 1.00 1.59 H new ATOM 0 HZ1 LYS A 114 1.058 9.236 -7.648 1.00 2.22 H new ATOM 0 HZ2 LYS A 114 2.732 9.517 -7.592 1.00 2.22 H new ATOM 0 HZ3 LYS A 114 2.126 7.952 -7.340 1.00 2.22 H new ATOM 1699 N VAL A 115 2.228 9.863 -0.246 1.00 0.30 N ATOM 1700 CA VAL A 115 1.128 9.936 0.713 1.00 0.35 C ATOM 1701 C VAL A 115 1.262 11.190 1.564 1.00 0.35 C ATOM 1702 O VAL A 115 0.304 11.946 1.715 1.00 0.42 O ATOM 1703 CB VAL A 115 1.066 8.675 1.620 1.00 0.41 C ATOM 1704 CG1 VAL A 115 0.432 8.984 2.968 1.00 0.49 C ATOM 1705 CG2 VAL A 115 0.280 7.571 0.934 1.00 0.47 C ATOM 0 H VAL A 115 2.805 9.026 -0.162 1.00 0.30 H new ATOM 0 HA VAL A 115 0.197 9.979 0.148 1.00 0.35 H new ATOM 0 HB VAL A 115 2.091 8.346 1.791 1.00 0.41 H new ATOM 0 HG11 VAL A 115 0.406 8.078 3.574 1.00 0.49 H new ATOM 0 HG12 VAL A 115 1.019 9.747 3.480 1.00 0.49 H new ATOM 0 HG13 VAL A 115 -0.584 9.349 2.817 1.00 0.49 H new ATOM 0 HG21 VAL A 115 0.245 6.694 1.580 1.00 0.47 H new ATOM 0 HG22 VAL A 115 -0.735 7.916 0.735 1.00 0.47 H new ATOM 0 HG23 VAL A 115 0.765 7.309 -0.006 1.00 0.47 H new ATOM 1715 N LYS A 116 2.461 11.444 2.089 1.00 0.35 N ATOM 1716 CA LYS A 116 2.667 12.629 2.891 1.00 0.45 C ATOM 1717 C LYS A 116 2.991 13.822 2.006 1.00 0.48 C ATOM 1718 O LYS A 116 3.269 14.918 2.495 1.00 0.63 O ATOM 1719 CB LYS A 116 3.737 12.413 3.943 1.00 0.59 C ATOM 1720 CG LYS A 116 5.101 12.129 3.386 1.00 0.77 C ATOM 1721 CD LYS A 116 6.146 12.500 4.401 1.00 0.79 C ATOM 1722 CE LYS A 116 6.046 13.975 4.767 1.00 1.68 C ATOM 1723 NZ LYS A 116 5.898 14.851 3.567 1.00 1.91 N ATOM 0 H LYS A 116 3.284 10.852 1.972 1.00 0.35 H new ATOM 0 HA LYS A 116 1.738 12.841 3.421 1.00 0.45 H new ATOM 0 HB2 LYS A 116 3.793 13.299 4.575 1.00 0.59 H new ATOM 0 HB3 LYS A 116 3.439 11.583 4.583 1.00 0.59 H new ATOM 0 HG2 LYS A 116 5.188 11.073 3.129 1.00 0.77 H new ATOM 0 HG3 LYS A 116 5.255 12.695 2.467 1.00 0.77 H new ATOM 0 HD2 LYS A 116 6.023 11.890 5.296 1.00 0.79 H new ATOM 0 HD3 LYS A 116 7.138 12.286 4.003 1.00 0.79 H new ATOM 0 HE2 LYS A 116 5.194 14.125 5.430 1.00 1.68 H new ATOM 0 HE3 LYS A 116 6.937 14.270 5.321 1.00 1.68 H new ATOM 0 HZ1 LYS A 116 6.355 15.767 3.748 1.00 1.91 H new ATOM 0 HZ2 LYS A 116 6.347 14.395 2.747 1.00 1.91 H new ATOM 0 HZ3 LYS A 116 4.888 15.001 3.369 1.00 1.91 H new ATOM 1737 N LEU A 117 2.973 13.588 0.700 1.00 0.43 N ATOM 1738 CA LEU A 117 3.011 14.668 -0.275 1.00 0.53 C ATOM 1739 C LEU A 117 1.582 15.130 -0.575 1.00 0.60 C ATOM 1740 O LEU A 117 1.366 16.238 -1.061 1.00 0.73 O ATOM 1741 CB LEU A 117 3.698 14.211 -1.564 1.00 0.54 C ATOM 1742 CG LEU A 117 3.855 15.286 -2.644 1.00 0.68 C ATOM 1743 CD1 LEU A 117 4.793 16.387 -2.172 1.00 1.28 C ATOM 1744 CD2 LEU A 117 4.364 14.668 -3.938 1.00 1.17 C ATOM 0 H LEU A 117 2.932 12.655 0.291 1.00 0.43 H new ATOM 0 HA LEU A 117 3.584 15.498 0.139 1.00 0.53 H new ATOM 0 HB2 LEU A 117 4.686 13.827 -1.312 1.00 0.54 H new ATOM 0 HB3 LEU A 117 3.130 13.380 -1.983 1.00 0.54 H new ATOM 0 HG LEU A 117 2.877 15.729 -2.834 1.00 0.68 H new ATOM 0 HD11 LEU A 117 4.891 17.141 -2.953 1.00 1.28 H new ATOM 0 HD12 LEU A 117 4.388 16.848 -1.271 1.00 1.28 H new ATOM 0 HD13 LEU A 117 5.772 15.962 -1.953 1.00 1.28 H new ATOM 0 HD21 LEU A 117 4.470 15.445 -4.695 1.00 1.17 H new ATOM 0 HD22 LEU A 117 5.332 14.199 -3.761 1.00 1.17 H new ATOM 0 HD23 LEU A 117 3.655 13.917 -4.286 1.00 1.17 H new ATOM 1756 N GLU A 118 0.612 14.267 -0.261 1.00 0.57 N ATOM 1757 CA GLU A 118 -0.806 14.590 -0.417 1.00 0.70 C ATOM 1758 C GLU A 118 -1.208 15.689 0.563 1.00 0.79 C ATOM 1759 O GLU A 118 -2.238 16.340 0.399 1.00 0.95 O ATOM 1760 CB GLU A 118 -1.676 13.350 -0.176 1.00 0.75 C ATOM 1761 CG GLU A 118 -1.503 12.241 -1.202 1.00 0.78 C ATOM 1762 CD GLU A 118 -2.399 11.050 -0.912 1.00 1.27 C ATOM 1763 OE1 GLU A 118 -3.593 11.270 -0.613 1.00 1.78 O ATOM 1764 OE2 GLU A 118 -1.918 9.899 -0.962 1.00 1.99 O ATOM 0 H GLU A 118 0.787 13.331 0.106 1.00 0.57 H new ATOM 0 HA GLU A 118 -0.963 14.939 -1.438 1.00 0.70 H new ATOM 0 HB2 GLU A 118 -1.449 12.950 0.812 1.00 0.75 H new ATOM 0 HB3 GLU A 118 -2.723 13.654 -0.164 1.00 0.75 H new ATOM 0 HG2 GLU A 118 -1.727 12.629 -2.196 1.00 0.78 H new ATOM 0 HG3 GLU A 118 -0.462 11.917 -1.213 1.00 0.78 H new ATOM 1771 N GLY A 119 -0.375 15.896 1.575 1.00 0.75 N ATOM 1772 CA GLY A 119 -0.663 16.890 2.587 1.00 0.86 C ATOM 1773 C GLY A 119 -0.876 16.266 3.947 1.00 0.87 C ATOM 1774 O GLY A 119 -0.745 16.931 4.969 1.00 1.01 O ATOM 0 H GLY A 119 0.500 15.389 1.712 1.00 0.75 H new ATOM 0 HA2 GLY A 119 0.160 17.603 2.640 1.00 0.86 H new ATOM 0 HA3 GLY A 119 -1.553 17.451 2.302 1.00 0.86 H new ATOM 1778 N HIS A 120 -1.206 14.985 3.956 1.00 0.80 N ATOM 1779 CA HIS A 120 -1.331 14.239 5.197 1.00 0.84 C ATOM 1780 C HIS A 120 -0.133 13.310 5.306 1.00 0.81 C ATOM 1781 O HIS A 120 0.242 12.691 4.322 1.00 0.84 O ATOM 1782 CB HIS A 120 -2.657 13.448 5.229 1.00 0.86 C ATOM 1783 CG HIS A 120 -2.533 11.966 4.972 1.00 0.77 C ATOM 1784 ND1 HIS A 120 -2.399 11.045 5.986 1.00 0.76 N ATOM 1785 CD2 HIS A 120 -2.512 11.252 3.818 1.00 0.81 C ATOM 1786 CE1 HIS A 120 -2.293 9.839 5.480 1.00 0.83 C ATOM 1787 NE2 HIS A 120 -2.367 9.927 4.162 1.00 0.87 N ATOM 0 H HIS A 120 -1.393 14.439 3.115 1.00 0.80 H new ATOM 0 HA HIS A 120 -1.348 14.920 6.048 1.00 0.84 H new ATOM 0 HB2 HIS A 120 -3.123 13.593 6.204 1.00 0.86 H new ATOM 0 HB3 HIS A 120 -3.332 13.873 4.486 1.00 0.86 H new ATOM 0 HD1 HIS A 120 -2.384 11.267 6.982 1.00 0.76 H new ATOM 0 HD2 HIS A 120 -2.594 11.649 2.817 1.00 0.81 H new ATOM 0 HE1 HIS A 120 -2.167 8.927 6.045 1.00 0.83 H new ATOM 1796 N GLU A 121 0.486 13.216 6.466 1.00 0.93 N ATOM 1797 CA GLU A 121 1.649 12.353 6.595 1.00 1.01 C ATOM 1798 C GLU A 121 1.247 10.967 7.084 1.00 0.79 C ATOM 1799 O GLU A 121 0.133 10.768 7.572 1.00 0.71 O ATOM 1800 CB GLU A 121 2.699 12.966 7.522 1.00 1.31 C ATOM 1801 CG GLU A 121 2.285 13.018 8.979 1.00 1.55 C ATOM 1802 CD GLU A 121 3.428 13.454 9.879 1.00 2.15 C ATOM 1803 OE1 GLU A 121 4.424 12.714 9.991 1.00 2.75 O ATOM 1804 OE2 GLU A 121 3.326 14.542 10.483 1.00 2.52 O ATOM 0 H GLU A 121 0.214 13.712 7.315 1.00 0.93 H new ATOM 0 HA GLU A 121 2.094 12.253 5.605 1.00 1.01 H new ATOM 0 HB2 GLU A 121 3.622 12.392 7.438 1.00 1.31 H new ATOM 0 HB3 GLU A 121 2.921 13.978 7.182 1.00 1.31 H new ATOM 0 HG2 GLU A 121 1.449 13.708 9.094 1.00 1.55 H new ATOM 0 HG3 GLU A 121 1.932 12.035 9.291 1.00 1.55 H new ATOM 1811 N LEU A 122 2.149 10.008 6.913 1.00 0.92 N ATOM 1812 CA LEU A 122 1.924 8.647 7.385 1.00 0.87 C ATOM 1813 C LEU A 122 1.786 8.617 8.912 1.00 0.82 C ATOM 1814 O LEU A 122 2.634 9.138 9.645 1.00 0.95 O ATOM 1815 CB LEU A 122 3.028 7.664 6.909 1.00 1.18 C ATOM 1816 CG LEU A 122 4.430 8.237 6.638 1.00 1.80 C ATOM 1817 CD1 LEU A 122 4.465 9.049 5.352 1.00 2.45 C ATOM 1818 CD2 LEU A 122 4.900 9.063 7.814 1.00 2.70 C ATOM 0 H LEU A 122 3.046 10.149 6.449 1.00 0.92 H new ATOM 0 HA LEU A 122 0.987 8.307 6.943 1.00 0.87 H new ATOM 0 HB2 LEU A 122 3.126 6.881 7.661 1.00 1.18 H new ATOM 0 HB3 LEU A 122 2.679 7.186 5.994 1.00 1.18 H new ATOM 0 HG LEU A 122 5.114 7.398 6.509 1.00 1.80 H new ATOM 0 HD11 LEU A 122 5.471 9.437 5.194 1.00 2.45 H new ATOM 0 HD12 LEU A 122 4.186 8.413 4.512 1.00 2.45 H new ATOM 0 HD13 LEU A 122 3.763 9.880 5.427 1.00 2.45 H new ATOM 0 HD21 LEU A 122 5.893 9.461 7.606 1.00 2.70 H new ATOM 0 HD22 LEU A 122 4.207 9.887 7.980 1.00 2.70 H new ATOM 0 HD23 LEU A 122 4.940 8.437 8.706 1.00 2.70 H new ATOM 1830 N PRO A 123 0.704 8.011 9.408 1.00 0.77 N ATOM 1831 CA PRO A 123 0.365 8.005 10.824 1.00 0.88 C ATOM 1832 C PRO A 123 0.842 6.759 11.542 1.00 0.92 C ATOM 1833 O PRO A 123 0.420 6.481 12.668 1.00 1.10 O ATOM 1834 CB PRO A 123 -1.149 8.033 10.773 1.00 1.00 C ATOM 1835 CG PRO A 123 -1.500 7.252 9.544 1.00 0.95 C ATOM 1836 CD PRO A 123 -0.304 7.281 8.630 1.00 0.79 C ATOM 0 HA PRO A 123 0.829 8.826 11.371 1.00 0.88 H new ATOM 0 HB2 PRO A 123 -1.584 7.584 11.666 1.00 1.00 H new ATOM 0 HB3 PRO A 123 -1.525 9.054 10.714 1.00 1.00 H new ATOM 0 HG2 PRO A 123 -1.759 6.225 9.803 1.00 0.95 H new ATOM 0 HG3 PRO A 123 -2.370 7.685 9.050 1.00 0.95 H new ATOM 0 HD2 PRO A 123 0.034 6.276 8.379 1.00 0.79 H new ATOM 0 HD3 PRO A 123 -0.529 7.786 7.690 1.00 0.79 H new ATOM 1844 N ALA A 124 1.717 6.022 10.876 1.00 0.89 N ATOM 1845 CA ALA A 124 2.264 4.785 11.409 1.00 1.09 C ATOM 1846 C ALA A 124 1.186 3.724 11.550 1.00 1.10 C ATOM 1847 O ALA A 124 1.203 2.920 12.483 1.00 1.27 O ATOM 1848 CB ALA A 124 2.986 5.027 12.732 1.00 1.34 C ATOM 0 H ALA A 124 2.068 6.265 9.950 1.00 0.89 H new ATOM 0 HA ALA A 124 3.000 4.412 10.697 1.00 1.09 H new ATOM 0 HB1 ALA A 124 3.385 4.084 13.107 1.00 1.34 H new ATOM 0 HB2 ALA A 124 3.804 5.731 12.577 1.00 1.34 H new ATOM 0 HB3 ALA A 124 2.286 5.439 13.459 1.00 1.34 H new ATOM 1854 N ASP A 125 0.257 3.713 10.604 1.00 1.00 N ATOM 1855 CA ASP A 125 -0.679 2.617 10.502 1.00 1.03 C ATOM 1856 C ASP A 125 -0.461 1.873 9.205 1.00 0.87 C ATOM 1857 O ASP A 125 -0.139 2.460 8.172 1.00 0.90 O ATOM 1858 CB ASP A 125 -2.135 3.068 10.609 1.00 1.22 C ATOM 1859 CG ASP A 125 -2.774 3.464 9.289 1.00 1.72 C ATOM 1860 OD1 ASP A 125 -2.511 4.586 8.811 1.00 2.14 O ATOM 1861 OD2 ASP A 125 -3.503 2.642 8.703 1.00 2.36 O ATOM 0 H ASP A 125 0.137 4.446 9.905 1.00 1.00 H new ATOM 0 HA ASP A 125 -0.490 1.956 11.348 1.00 1.03 H new ATOM 0 HB2 ASP A 125 -2.719 2.262 11.053 1.00 1.22 H new ATOM 0 HB3 ASP A 125 -2.190 3.915 11.293 1.00 1.22 H new ATOM 1866 N LEU A 126 -0.609 0.578 9.281 1.00 0.81 N ATOM 1867 CA LEU A 126 -0.427 -0.274 8.128 1.00 0.73 C ATOM 1868 C LEU A 126 -1.659 -1.148 7.925 1.00 0.76 C ATOM 1869 O LEU A 126 -1.817 -2.185 8.573 1.00 0.86 O ATOM 1870 CB LEU A 126 0.832 -1.131 8.280 1.00 0.75 C ATOM 1871 CG LEU A 126 1.288 -1.827 7.000 1.00 0.94 C ATOM 1872 CD1 LEU A 126 1.501 -0.808 5.891 1.00 1.67 C ATOM 1873 CD2 LEU A 126 2.554 -2.628 7.253 1.00 1.83 C ATOM 0 H LEU A 126 -0.858 0.082 10.137 1.00 0.81 H new ATOM 0 HA LEU A 126 -0.298 0.354 7.246 1.00 0.73 H new ATOM 0 HB2 LEU A 126 1.643 -0.500 8.643 1.00 0.75 H new ATOM 0 HB3 LEU A 126 0.650 -1.887 9.044 1.00 0.75 H new ATOM 0 HG LEU A 126 0.508 -2.519 6.681 1.00 0.94 H new ATOM 0 HD11 LEU A 126 1.826 -1.319 4.985 1.00 1.67 H new ATOM 0 HD12 LEU A 126 0.566 -0.282 5.696 1.00 1.67 H new ATOM 0 HD13 LEU A 126 2.263 -0.092 6.197 1.00 1.67 H new ATOM 0 HD21 LEU A 126 2.865 -3.118 6.330 1.00 1.83 H new ATOM 0 HD22 LEU A 126 3.345 -1.960 7.594 1.00 1.83 H new ATOM 0 HD23 LEU A 126 2.361 -3.382 8.016 1.00 1.83 H new ATOM 1885 N PRO A 127 -2.566 -0.719 7.046 1.00 0.77 N ATOM 1886 CA PRO A 127 -3.799 -1.445 6.767 1.00 0.89 C ATOM 1887 C PRO A 127 -3.542 -2.706 5.943 1.00 0.85 C ATOM 1888 O PRO A 127 -2.598 -2.760 5.156 1.00 0.77 O ATOM 1889 CB PRO A 127 -4.649 -0.440 5.973 1.00 1.00 C ATOM 1890 CG PRO A 127 -3.902 0.850 5.999 1.00 0.91 C ATOM 1891 CD PRO A 127 -2.469 0.510 6.261 1.00 0.78 C ATOM 0 HA PRO A 127 -4.286 -1.790 7.679 1.00 0.89 H new ATOM 0 HB2 PRO A 127 -4.800 -0.782 4.949 1.00 1.00 H new ATOM 0 HB3 PRO A 127 -5.637 -0.327 6.420 1.00 1.00 H new ATOM 0 HG2 PRO A 127 -4.008 1.378 5.051 1.00 0.91 H new ATOM 0 HG3 PRO A 127 -4.292 1.508 6.776 1.00 0.91 H new ATOM 0 HD2 PRO A 127 -1.914 0.356 5.336 1.00 0.78 H new ATOM 0 HD3 PRO A 127 -1.959 1.302 6.810 1.00 0.78 H new ATOM 1899 N PRO A 128 -4.385 -3.738 6.107 1.00 0.99 N ATOM 1900 CA PRO A 128 -4.248 -5.004 5.369 1.00 1.06 C ATOM 1901 C PRO A 128 -4.368 -4.809 3.859 1.00 1.01 C ATOM 1902 O PRO A 128 -3.982 -5.671 3.074 1.00 1.15 O ATOM 1903 CB PRO A 128 -5.403 -5.861 5.894 1.00 1.27 C ATOM 1904 CG PRO A 128 -6.369 -4.893 6.493 1.00 1.34 C ATOM 1905 CD PRO A 128 -5.538 -3.762 7.027 1.00 1.15 C ATOM 0 HA PRO A 128 -3.268 -5.457 5.522 1.00 1.06 H new ATOM 0 HB2 PRO A 128 -5.866 -6.433 5.090 1.00 1.27 H new ATOM 0 HB3 PRO A 128 -5.054 -6.579 6.636 1.00 1.27 H new ATOM 0 HG2 PRO A 128 -7.080 -4.538 5.747 1.00 1.34 H new ATOM 0 HG3 PRO A 128 -6.949 -5.361 7.288 1.00 1.34 H new ATOM 0 HD2 PRO A 128 -6.084 -2.819 7.015 1.00 1.15 H new ATOM 0 HD3 PRO A 128 -5.229 -3.939 8.057 1.00 1.15 H new ATOM 1913 N HIS A 129 -4.895 -3.659 3.458 1.00 0.95 N ATOM 1914 CA HIS A 129 -5.037 -3.336 2.045 1.00 0.96 C ATOM 1915 C HIS A 129 -3.893 -2.443 1.574 1.00 0.94 C ATOM 1916 O HIS A 129 -4.033 -1.727 0.590 1.00 1.22 O ATOM 1917 CB HIS A 129 -6.393 -2.666 1.752 1.00 1.07 C ATOM 1918 CG HIS A 129 -6.640 -1.371 2.479 1.00 1.11 C ATOM 1919 ND1 HIS A 129 -7.386 -1.278 3.636 1.00 1.27 N ATOM 1920 CD2 HIS A 129 -6.253 -0.107 2.191 1.00 1.27 C ATOM 1921 CE1 HIS A 129 -7.441 -0.016 4.020 1.00 1.45 C ATOM 1922 NE2 HIS A 129 -6.764 0.717 3.159 1.00 1.48 N ATOM 0 H HIS A 129 -5.231 -2.934 4.092 1.00 0.95 H new ATOM 0 HA HIS A 129 -4.998 -4.274 1.491 1.00 0.96 H new ATOM 0 HB2 HIS A 129 -6.465 -2.481 0.680 1.00 1.07 H new ATOM 0 HB3 HIS A 129 -7.189 -3.365 2.009 1.00 1.07 H new ATOM 0 HD2 HIS A 129 -5.649 0.198 1.349 1.00 1.27 H new ATOM 0 HE1 HIS A 129 -7.955 0.354 4.895 1.00 1.45 H new ATOM 0 HE2 HIS A 129 -6.641 1.728 3.206 1.00 1.48 H new ATOM 1931 N LEU A 130 -2.780 -2.469 2.301 1.00 0.73 N ATOM 1932 CA LEU A 130 -1.563 -1.760 1.895 1.00 0.69 C ATOM 1933 C LEU A 130 -0.334 -2.615 2.146 1.00 0.69 C ATOM 1934 O LEU A 130 0.788 -2.121 2.112 1.00 0.72 O ATOM 1935 CB LEU A 130 -1.413 -0.461 2.668 1.00 0.75 C ATOM 1936 CG LEU A 130 -1.608 0.839 1.885 1.00 0.81 C ATOM 1937 CD1 LEU A 130 -3.081 1.133 1.659 1.00 1.27 C ATOM 1938 CD2 LEU A 130 -0.942 1.993 2.609 1.00 1.29 C ATOM 0 H LEU A 130 -2.692 -2.977 3.181 1.00 0.73 H new ATOM 0 HA LEU A 130 -1.650 -1.545 0.830 1.00 0.69 H new ATOM 0 HB2 LEU A 130 -2.128 -0.472 3.491 1.00 0.75 H new ATOM 0 HB3 LEU A 130 -0.417 -0.443 3.111 1.00 0.75 H new ATOM 0 HG LEU A 130 -1.140 0.717 0.908 1.00 0.81 H new ATOM 0 HD11 LEU A 130 -3.185 2.063 1.100 1.00 1.27 H new ATOM 0 HD12 LEU A 130 -3.532 0.318 1.094 1.00 1.27 H new ATOM 0 HD13 LEU A 130 -3.584 1.230 2.621 1.00 1.27 H new ATOM 0 HD21 LEU A 130 -1.088 2.912 2.041 1.00 1.29 H new ATOM 0 HD22 LEU A 130 -1.383 2.104 3.599 1.00 1.29 H new ATOM 0 HD23 LEU A 130 0.125 1.793 2.708 1.00 1.29 H new ATOM 1950 N VAL A 131 -0.543 -3.889 2.414 1.00 0.76 N ATOM 1951 CA VAL A 131 0.570 -4.792 2.615 1.00 0.84 C ATOM 1952 C VAL A 131 0.951 -5.425 1.290 1.00 0.76 C ATOM 1953 O VAL A 131 0.101 -5.974 0.586 1.00 0.76 O ATOM 1954 CB VAL A 131 0.273 -5.882 3.672 1.00 1.05 C ATOM 1955 CG1 VAL A 131 0.113 -5.248 5.042 1.00 1.72 C ATOM 1956 CG2 VAL A 131 -0.970 -6.683 3.319 1.00 1.59 C ATOM 0 H VAL A 131 -1.465 -4.318 2.497 1.00 0.76 H new ATOM 0 HA VAL A 131 1.404 -4.207 3.002 1.00 0.84 H new ATOM 0 HB VAL A 131 1.118 -6.570 3.687 1.00 1.05 H new ATOM 0 HG11 VAL A 131 -0.096 -6.023 5.779 1.00 1.72 H new ATOM 0 HG12 VAL A 131 1.032 -4.728 5.312 1.00 1.72 H new ATOM 0 HG13 VAL A 131 -0.713 -4.537 5.020 1.00 1.72 H new ATOM 0 HG21 VAL A 131 -1.146 -7.438 4.085 1.00 1.59 H new ATOM 0 HG22 VAL A 131 -1.830 -6.015 3.264 1.00 1.59 H new ATOM 0 HG23 VAL A 131 -0.827 -7.170 2.355 1.00 1.59 H new ATOM 1966 N PRO A 132 2.229 -5.307 0.908 1.00 0.78 N ATOM 1967 CA PRO A 132 2.726 -5.849 -0.352 1.00 0.79 C ATOM 1968 C PRO A 132 2.332 -7.321 -0.535 1.00 0.83 C ATOM 1969 O PRO A 132 2.249 -8.070 0.441 1.00 0.85 O ATOM 1970 CB PRO A 132 4.242 -5.709 -0.229 1.00 0.90 C ATOM 1971 CG PRO A 132 4.455 -4.597 0.739 1.00 1.04 C ATOM 1972 CD PRO A 132 3.280 -4.611 1.673 1.00 0.88 C ATOM 0 HA PRO A 132 2.312 -5.329 -1.216 1.00 0.79 H new ATOM 0 HB2 PRO A 132 4.695 -6.634 0.128 1.00 0.90 H new ATOM 0 HB3 PRO A 132 4.696 -5.483 -1.194 1.00 0.90 H new ATOM 0 HG2 PRO A 132 5.387 -4.734 1.287 1.00 1.04 H new ATOM 0 HG3 PRO A 132 4.527 -3.641 0.221 1.00 1.04 H new ATOM 0 HD2 PRO A 132 3.513 -5.135 2.600 1.00 0.88 H new ATOM 0 HD3 PRO A 132 2.974 -3.601 1.945 1.00 0.88 H new ATOM 1980 N PRO A 133 2.093 -7.743 -1.789 1.00 0.93 N ATOM 1981 CA PRO A 133 1.610 -9.096 -2.137 1.00 1.05 C ATOM 1982 C PRO A 133 2.278 -10.264 -1.387 1.00 1.15 C ATOM 1983 O PRO A 133 1.654 -11.313 -1.195 1.00 1.44 O ATOM 1984 CB PRO A 133 1.926 -9.188 -3.626 1.00 1.25 C ATOM 1985 CG PRO A 133 1.786 -7.795 -4.118 1.00 1.36 C ATOM 1986 CD PRO A 133 2.253 -6.903 -2.993 1.00 1.07 C ATOM 0 HA PRO A 133 0.561 -9.201 -1.861 1.00 1.05 H new ATOM 0 HB2 PRO A 133 2.932 -9.571 -3.796 1.00 1.25 H new ATOM 0 HB3 PRO A 133 1.238 -9.861 -4.138 1.00 1.25 H new ATOM 0 HG2 PRO A 133 2.385 -7.637 -5.015 1.00 1.36 H new ATOM 0 HG3 PRO A 133 0.751 -7.578 -4.383 1.00 1.36 H new ATOM 0 HD2 PRO A 133 3.289 -6.594 -3.131 1.00 1.07 H new ATOM 0 HD3 PRO A 133 1.655 -5.994 -2.929 1.00 1.07 H new ATOM 1994 N SER A 134 3.522 -10.099 -0.961 1.00 1.15 N ATOM 1995 CA SER A 134 4.254 -11.195 -0.327 1.00 1.40 C ATOM 1996 C SER A 134 4.038 -11.250 1.187 1.00 1.40 C ATOM 1997 O SER A 134 4.418 -12.226 1.830 1.00 1.65 O ATOM 1998 CB SER A 134 5.746 -11.068 -0.635 1.00 1.64 C ATOM 1999 OG SER A 134 5.963 -10.944 -2.029 1.00 2.30 O ATOM 0 H SER A 134 4.045 -9.227 -1.040 1.00 1.15 H new ATOM 0 HA SER A 134 3.864 -12.125 -0.741 1.00 1.40 H new ATOM 0 HB2 SER A 134 6.156 -10.199 -0.120 1.00 1.64 H new ATOM 0 HB3 SER A 134 6.276 -11.942 -0.256 1.00 1.64 H new ATOM 0 HG SER A 134 6.924 -10.862 -2.205 1.00 2.30 H new ATOM 2005 N LYS A 135 3.424 -10.219 1.762 1.00 1.23 N ATOM 2006 CA LYS A 135 3.234 -10.178 3.213 1.00 1.34 C ATOM 2007 C LYS A 135 1.757 -10.121 3.609 1.00 1.50 C ATOM 2008 O LYS A 135 1.427 -9.935 4.781 1.00 1.73 O ATOM 2009 CB LYS A 135 4.012 -9.012 3.857 1.00 1.23 C ATOM 2010 CG LYS A 135 4.244 -7.798 2.958 1.00 1.33 C ATOM 2011 CD LYS A 135 5.462 -7.982 2.054 1.00 2.26 C ATOM 2012 CE LYS A 135 6.754 -8.030 2.856 1.00 2.88 C ATOM 2013 NZ LYS A 135 7.951 -8.272 2.005 1.00 3.42 N ATOM 0 H LYS A 135 3.055 -9.413 1.258 1.00 1.23 H new ATOM 0 HA LYS A 135 3.639 -11.114 3.598 1.00 1.34 H new ATOM 0 HB2 LYS A 135 3.472 -8.686 4.746 1.00 1.23 H new ATOM 0 HB3 LYS A 135 4.980 -9.385 4.191 1.00 1.23 H new ATOM 0 HG2 LYS A 135 3.359 -7.626 2.345 1.00 1.33 H new ATOM 0 HG3 LYS A 135 4.381 -6.910 3.575 1.00 1.33 H new ATOM 0 HD2 LYS A 135 5.355 -8.903 1.481 1.00 2.26 H new ATOM 0 HD3 LYS A 135 5.509 -7.164 1.336 1.00 2.26 H new ATOM 0 HE2 LYS A 135 6.879 -7.089 3.392 1.00 2.88 H new ATOM 0 HE3 LYS A 135 6.682 -8.817 3.606 1.00 2.88 H new ATOM 0 HZ1 LYS A 135 8.714 -8.676 2.585 1.00 3.42 H new ATOM 0 HZ2 LYS A 135 7.707 -8.937 1.243 1.00 3.42 H new ATOM 0 HZ3 LYS A 135 8.270 -7.373 1.591 1.00 3.42 H new ATOM 2027 N ARG A 136 0.878 -10.305 2.635 1.00 1.53 N ATOM 2028 CA ARG A 136 -0.554 -10.405 2.905 1.00 1.89 C ATOM 2029 C ARG A 136 -0.921 -11.834 3.287 1.00 2.31 C ATOM 2030 O ARG A 136 -1.118 -12.685 2.429 1.00 2.51 O ATOM 2031 CB ARG A 136 -1.376 -9.962 1.686 1.00 1.88 C ATOM 2032 CG ARG A 136 -0.723 -10.306 0.361 1.00 1.88 C ATOM 2033 CD ARG A 136 -1.714 -10.841 -0.665 1.00 2.64 C ATOM 2034 NE ARG A 136 -2.236 -12.162 -0.298 1.00 3.30 N ATOM 2035 CZ ARG A 136 -1.510 -13.292 -0.292 1.00 3.86 C ATOM 2036 NH1 ARG A 136 -0.203 -13.264 -0.561 1.00 3.83 N ATOM 2037 NH2 ARG A 136 -2.083 -14.446 0.032 1.00 4.72 N ATOM 0 H ARG A 136 1.128 -10.388 1.650 1.00 1.53 H new ATOM 0 HA ARG A 136 -0.788 -9.741 3.737 1.00 1.89 H new ATOM 0 HB2 ARG A 136 -2.359 -10.431 1.730 1.00 1.88 H new ATOM 0 HB3 ARG A 136 -1.534 -8.885 1.736 1.00 1.88 H new ATOM 0 HG2 ARG A 136 -0.236 -9.417 -0.040 1.00 1.88 H new ATOM 0 HG3 ARG A 136 0.057 -11.049 0.528 1.00 1.88 H new ATOM 0 HD2 ARG A 136 -2.543 -10.140 -0.766 1.00 2.64 H new ATOM 0 HD3 ARG A 136 -1.228 -10.902 -1.639 1.00 2.64 H new ATOM 0 HE ARG A 136 -3.218 -12.227 -0.029 1.00 3.30 H new ATOM 0 HH11 ARG A 136 0.255 -12.378 -0.774 1.00 3.83 H new ATOM 0 HH12 ARG A 136 0.338 -14.129 -0.553 1.00 3.83 H new ATOM 0 HH21 ARG A 136 -3.073 -14.473 0.276 1.00 4.72 H new ATOM 0 HH22 ARG A 136 -1.533 -15.305 0.037 1.00 4.72 H new ATOM 2051 N ARG A 137 -0.978 -12.106 4.580 1.00 2.57 N ATOM 2052 CA ARG A 137 -1.297 -13.440 5.064 1.00 3.09 C ATOM 2053 C ARG A 137 -1.594 -13.402 6.548 1.00 3.55 C ATOM 2054 O ARG A 137 -0.891 -12.739 7.313 1.00 3.60 O ATOM 2055 CB ARG A 137 -0.158 -14.428 4.785 1.00 3.10 C ATOM 2056 CG ARG A 137 1.234 -13.833 4.917 1.00 3.11 C ATOM 2057 CD ARG A 137 2.292 -14.913 5.022 1.00 3.08 C ATOM 2058 NE ARG A 137 2.353 -15.473 6.379 1.00 3.71 N ATOM 2059 CZ ARG A 137 2.862 -16.667 6.685 1.00 4.19 C ATOM 2060 NH1 ARG A 137 3.380 -17.435 5.734 1.00 4.19 N ATOM 2061 NH2 ARG A 137 2.860 -17.089 7.944 1.00 5.01 N ATOM 0 H ARG A 137 -0.807 -11.420 5.315 1.00 2.57 H new ATOM 0 HA ARG A 137 -2.181 -13.784 4.527 1.00 3.09 H new ATOM 0 HB2 ARG A 137 -0.247 -15.270 5.472 1.00 3.10 H new ATOM 0 HB3 ARG A 137 -0.276 -14.825 3.777 1.00 3.10 H new ATOM 0 HG2 ARG A 137 1.443 -13.200 4.055 1.00 3.11 H new ATOM 0 HG3 ARG A 137 1.276 -13.194 5.799 1.00 3.11 H new ATOM 0 HD2 ARG A 137 2.075 -15.708 4.308 1.00 3.08 H new ATOM 0 HD3 ARG A 137 3.264 -14.500 4.753 1.00 3.08 H new ATOM 0 HE ARG A 137 1.979 -14.908 7.142 1.00 3.71 H new ATOM 0 HH11 ARG A 137 3.389 -17.112 4.766 1.00 4.19 H new ATOM 0 HH12 ARG A 137 3.769 -18.348 5.971 1.00 4.19 H new ATOM 0 HH21 ARG A 137 2.469 -16.500 8.679 1.00 5.01 H new ATOM 0 HH22 ARG A 137 3.250 -18.003 8.176 1.00 5.01 H new ATOM 2075 N HIS A 138 -2.637 -14.105 6.946 1.00 4.04 N ATOM 2076 CA HIS A 138 -3.031 -14.146 8.339 1.00 4.60 C ATOM 2077 C HIS A 138 -2.373 -15.326 9.030 1.00 5.04 C ATOM 2078 O HIS A 138 -2.870 -16.441 8.940 1.00 5.32 O ATOM 2079 CB HIS A 138 -4.554 -14.252 8.451 1.00 4.93 C ATOM 2080 CG HIS A 138 -5.279 -12.984 8.104 1.00 5.37 C ATOM 2081 ND1 HIS A 138 -5.774 -12.116 9.052 1.00 5.87 N ATOM 2082 CD2 HIS A 138 -5.595 -12.443 6.903 1.00 5.74 C ATOM 2083 CE1 HIS A 138 -6.362 -11.098 8.451 1.00 6.39 C ATOM 2084 NE2 HIS A 138 -6.265 -11.271 7.149 1.00 6.31 N ATOM 0 H HIS A 138 -3.227 -14.656 6.322 1.00 4.04 H new ATOM 0 HA HIS A 138 -2.706 -13.226 8.826 1.00 4.60 H new ATOM 0 HB2 HIS A 138 -4.902 -15.049 7.794 1.00 4.93 H new ATOM 0 HB3 HIS A 138 -4.814 -14.541 9.469 1.00 4.93 H new ATOM 0 HD2 HIS A 138 -5.363 -12.857 5.933 1.00 5.74 H new ATOM 0 HE1 HIS A 138 -6.841 -10.265 8.944 1.00 6.39 H new ATOM 0 HE2 HIS A 138 -6.629 -10.636 6.438 1.00 6.31 H new ATOM 2093 N GLU A 139 -1.256 -15.034 9.697 1.00 5.24 N ATOM 2094 CA GLU A 139 -0.446 -15.989 10.471 1.00 5.77 C ATOM 2095 C GLU A 139 0.910 -15.351 10.746 1.00 6.32 C ATOM 2096 O GLU A 139 1.871 -15.637 9.993 1.00 6.61 O ATOM 2097 CB GLU A 139 -0.212 -17.336 9.763 1.00 5.85 C ATOM 2098 CG GLU A 139 -1.246 -18.416 10.077 1.00 6.19 C ATOM 2099 CD GLU A 139 -1.527 -18.571 11.561 1.00 6.57 C ATOM 2100 OE1 GLU A 139 -0.758 -19.285 12.245 1.00 6.91 O ATOM 2101 OE2 GLU A 139 -2.494 -17.960 12.058 1.00 6.83 O ATOM 2102 OXT GLU A 139 1.004 -14.536 11.681 1.00 6.77 O ATOM 0 H GLU A 139 -0.871 -14.090 9.717 1.00 5.24 H new ATOM 0 HA GLU A 139 -1.003 -16.207 11.382 1.00 5.77 H new ATOM 0 HB2 GLU A 139 -0.200 -17.167 8.686 1.00 5.85 H new ATOM 0 HB3 GLU A 139 0.775 -17.708 10.038 1.00 5.85 H new ATOM 0 HG2 GLU A 139 -2.177 -18.178 9.562 1.00 6.19 H new ATOM 0 HG3 GLU A 139 -0.897 -19.369 9.680 1.00 6.19 H new TER 2109 GLU A 139 HETATM 2110 CA CA A 141 11.606 -5.613 3.315 1.00 0.59 CA